The Quartet does not play alone. Comment on "The quartet theory of human emotions: An integrative and neurofunctional model" by S. Koelsch et al.

Science.gov (United States)

Marco-Pallarés, Josep; Mas-Herrero, Ernest

2015-06-01

The study of emotions has been an important topic in cognitive and affective neuroscience in the last decades. In the present manuscript, Koelsch et al. [1] propose a new neurobiological framework based on four emotional core systems (the Quartet), involved in different aspects of human emotion processing. This is an interesting theory that goes beyond classical emotion classification to describe the emotional experience based on four main cerebral components (brainstem, diencephalon, hippocampus, and orbitofrontal cortex). This approach allows the description of different classes of affects, including those that are unique in humans as emotional responses associated to abstract stimuli (for example, aesthetical stimuli such as art and music).

Correlation matrix for quartet codon usage

CERN Document Server

Frappat, L; Sorba, Paul

2005-01-01

It has been argued that the sum of usage probabilities for codons, belonging to quartets, that have as third nucleotide C or A, is independent of the biological species for vertebrates. The comparison between the theoretical correlation matrix derived from these sum rules and the experimentally computed matrix for 26 species shows a satisfactory agreement. The Shannon entropy, weakly depending on the biological species, gives further support. Suppression of codons containing the dinucleotides CG or AU is put in evidence.

Quartet cards as the media of career exploration for lower-grade primary school students

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Yulia Ayriza

2017-12-01

Full Text Available A career developed through the optimization of one’s potentials will irrevocably play a role in the development of self-identity as well as the psychological well-being of the individual. When children are introduced and allowed to explore as many career options as possible during their developmental stage, they are more likely to have a fruitful career development in the future. The preceding study showed that the career interests and knowledge of lower-grade primary students fit the Holland Career Categories: realistic, investigative, artistic, social, enterprising, and conventional (RIASEC. It was also found that the students’ career interest and knowledge levels varied, with most in the low level. This second-year study aims to expand the results of the previous study by developing the use of Quartet cards as the media of career exploration for lower-grade primary students. By using the research and development method, this study develops Quartet Career Cards into three difficulty levels: low, medium, and high. The Quartet cards media have undergone feasibility tests conducted by experts in theory and media, as well as a series of field testing consisting of preliminary, main, and operational stages among a total of 266 primary students of grades 1, 2, and 3. A revision was made on several components including the images, information, colors, font sizes, illustration styles, and card sizes. The findings show that Quartet Career Cards meet the feasibility standards for the media of career exploration

String Quartets as Self-Managed Teams: An Interdisciplinary Perspective

Science.gov (United States)

Gilboa, Avi; Tal-Shmotkin, Malka

2012-01-01

This article examines empirically and systematically whether a string quartet (SQ) ensemble is perceived as a self-managed team (SMT). SMTs, which were initially employed in the industrial world, are groups of employees that have a total responsibility for a defined project. The hypothesis that the SQ would exhibit more typical SMT characteristics…

Olivier Messiaen's quartet for the end of time, secret of form: Movement VI

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Maksimović Svetlana

2005-01-01

Full Text Available Knowing that Messiaen's early period, especially The Quartet for the End of Time, got so many written comments and discussions and from renowned critics, musicologists and composers it is hard to believe that anything different could possibly come out about the structure, form or concept in his work. Still, another look at these works would be valuable, since the concept of form is far from explored. The focal point of this text is the sixth movement from the Quartet and its concept of form. It unveils the relation between Messiaen's music ideas and the ancient Greek tragedy and the depth of the influence that Greek art had on his concept of form. The influence goes as far as the "suggestion of ring composition".

Human emotion in the brain and the body: Why language matters. Comment on "The quartet theory of human emotions: An integrative and neurofunctional model" by S. Koelsch et al.

Science.gov (United States)

Herbert, Cornelia

2015-06-01

What is an Emotion? This question has fascinated scientific research since William James. Despite the fact that a consensus has been reached about the biological origin of emotions, uniquely human aspects of emotions are still poorly understood. One of these blind spots concerns the relationship between emotion and human language. Historically, many theories imply a duality between emotions on the one hand and cognitive functions such as language on the other hand. Especially for symbolic forms of written language and word processing, it has been assumed that semantic information would bear no relation to bodily, affective, or sensorimotor processing (for an overview see Ref. [1]). The Quartet Theory proposed by Koelsch and colleagues [2] could provide a solution to this problem. It offers a novel, integrative neurofunctional model of human emotions which considers language and emotion as closely related. Crucially, language - be it spoken or written - is assumed to "regulate, modulate, and partly initiate" activity in core affective brain systems in accord with physical needs and individual concerns [cf. page 34, line 995]. In this regard, the Quartet Theory combines assumptions from earlier bioinformational theories of emotions [3], contemporary theories of embodied cognition [4], and appraisal theories such as the Component Process Model [5] into one framework, thereby providing a holistic model for the neuroscientific investigation of human emotion processing at the interface of emotion and cognition, mind and body.

Anchoring quartet-based phylogenetic distances and applications to species tree reconstruction.

Science.gov (United States)

Sayyari, Erfan; Mirarab, Siavash

2016-11-11

Inferring species trees from gene trees using the coalescent-based summary methods has been the subject of much attention, yet new scalable and accurate methods are needed. We introduce DISTIQUE, a new statistically consistent summary method for inferring species trees from gene trees under the coalescent model. We generalize our results to arbitrary phylogenetic inference problems; we show that two arbitrarily chosen leaves, called anchors, can be used to estimate relative distances between all other pairs of leaves by inferring relevant quartet trees. This results in a family of distance-based tree inference methods, with running times ranging between quadratic to quartic in the number of leaves. We show in simulated studies that DISTIQUE has comparable accuracy to leading coalescent-based summary methods and reduced running times.

The multi-instrumentalist hippocampus. Comment on "The quartet theory of human emotions: An integrative and neurofunctional model" by S. Koelsch et al.

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Strange, Bryan A.; Yebra, Mar

2015-06-01

Characterizing the neural circuitry of emotion is important not only from a basic science perspective, but also for understanding how these circuits may malfunction in psychiatric disease. A fundamental question for affective neuroscience is whether there are specialised neuroanatomical areas, or "modules", dedicated to the processing of emotional stimuli. In their review, Koelsch and colleagues [1] argue for the existence of a quartet of neuroanatomically distinct cerebral systems involved in the generation of a specific class of affects. Intriguingly, all four systems (brainstem-, diencephalon-, hippocampus-, and orbitofrontal-centred) comprise brain areas whose role in emotional processing is in addition to mediating other specific aspects of cognition. One member of the quartet in which this is particularly apparent is the hippocampus, a structure known to be critical for episodic memory and navigation. If areas involved in emotion also mediate other brain functions, this raises an issue of whether these multiple functions are executed by segregated circuits within each structure - i.e., a "module" for emotion residing in a sub-division of a brain structure - or whether these circuits are superimposed.

Musical rhythm and affect. Comment on "The quartet theory of human emotions: An integrative and neurofunctional model" by S. Koelsch et al.

Science.gov (United States)

Witek, Maria A. G.; Kringelbach, Morten L.; Vuust, Peter

2015-06-01

The Quartet Theory of Human Emotion (QT) proposed by Koelsch et al. [1] adds to existing affective models, e.g. by directing more attention to emotional contagion, attachment-related and non-goal-directed emotions. Such an approach seems particularly appropriate to modelling musical emotions, and music is indeed a recurring example in the text, used to illustrate the distinct characteristics of the affect systems that are at the centre of the theory. Yet, it would seem important for any theory of emotion to account for basic functions such as prediction and anticipation, which are only briefly mentioned. Here we propose that QT, specifically its focus on emotional contagion, attachment-related and non-goal directed emotions, might help generate new ideas about a largely neglected source of emotion - rhythm - a musical property that relies fundamentally on the mechanism of prediction.

A Model of Triadic Post-Tonality for a Neoconservative Postmodern String Quartet by Sky Macklay

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Zane Gillespie

2017-09-01

Full Text Available This article proposes a non-plural perspective on the analysis of triadic music, offering Sky Macklay’s Many Many Cadences as a case study. Part one is a discussion of the work’s harmony-voice leading nexus, followed by a discussion of the five conditions of correspondence as implied by this string quartet that articulate a single tonal identity. Part three focuses on a strictly kinematic analysis of the work’s harmonic progressions that evinces this identity and establishes its general applicability. In the final section, the data generated by this analysis conveys the inherent possibility of a single, all-encompassing kinematic, thereby pointing beyond the particularities of Many Many Cadences while informing my formal interpretation of the work.

The quartet theory: Implications for autism spectrum disorder. Comment on "The quartet theory of human emotions: An integrative and neurofunctional model" by S. Koelsch et al.

Science.gov (United States)

Pehrs, Corinna; Samson, Andrea C.; Gross, James J.

2015-06-01

Autism Spectrum Disorder (ASD) is a neurodevelopmental disorder characterized by social and communication deficits as well as restricted and repetitive behaviors [1]. Specific deficits include failure to initiate reciprocal social interactions, verbal and non-verbal communication difficulties, decreased sensitivity to social and emotional cues, and limited perspective-taking abilities. Social withdrawal, avoidance or indifference to affection or physical contact, lack of eye contact, and decreased joint attention and facial responsiveness are also common [2]. In addition to these core features, there is a growing body of literature that describes problematic patterns of emotional reactivity (increased negative and decreased positive emotions) and emotion regulation (increased use of maladaptive and decreased use of adaptive emotion regulation strategies) [3-5]. The present comment seeks to link difficulties in socio-emotional domains to the Quartet Theory of Human Emotions by mapping characteristic ASD social deficits and emotion dysregulation onto two of the affect systems described in this theory: the hippocampal and orbitofrontal-centered systems.

Brahms J. Piano Quartet No 1 in G minor, Op. 25 (orch. Schoenberg) / Jonathan Swain

Index Scriptorium Estoniae

Swain, Jonathan

1991-01-01

Uuest heliplaadist "Brahms J. Piano Quartet No 1 in G minor, Op. 25 (orch. Schoenberg). Variations and Fugue on a Theme by Händel, Op. 24 (orch, Rubbra). London Symphony Orchestra /Neeme Järvi" Chandos ABTD 1450; CD CHAN 8825 (71 minutes)

The movements made by performers in a skilled quartet: a distinctive pattern, and the function that it serves

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Donald eGlowinski

2013-11-01

Full Text Available When people perform a task as part of a joint action, their behavior is not the same as it would be if they were performing the same task alone, since it has to be adapted to facilitate shared understanding (or sometimes to prevent it. Joint performance of music offers a test bed for ecologically valid investigations of the way non-verbal behavior facilitates joint action. Here we compare the expressive movement of violinists when playing in solo and ensemble conditions. The first violinists of two string quartets, professional and student, were asked to play the same musical fragments in a solo condition and with the quartet. Synchronized multimodal recordings were created from the performances, using a specially developed software platform. Different patterns of head movement were observed. By quantifying them using an appropriate measure of entropy, we showed that head movements are more predictable in the quartet scenario. Rater evaluations showed that the change does not, as might be assumed, entail markedly reduced expression. They showed some ability to discriminate between solo and ensemble performances, but did not distinguish them in terms of emotional content or expressiveness. The data raise provocative questions about joint action in realistically complex scenarios.

The Effect of Body Movement on Listeners' Perceptions of Musicality in Trombone Quartet Performance

Science.gov (United States)

Silveira, Jason M.

2014-01-01

The purpose of this study was to determine what effect body movement would have on listeners' (N = 90) perceptions of a professional chamber ensemble performance. Specifically, an audio/video recording of a trombone quartet performance was used for the music stimulus. Listeners were asked to rate each performance on the basis of perceived…

The music of earthquakes and Earthquake Quartet #1

Science.gov (United States)

Michael, Andrew J.

2013-01-01

Earthquake Quartet #1, my composition for voice, trombone, cello, and seismograms, is the intersection of listening to earthquakes as a seismologist and performing music as a trombonist. Along the way, I realized there is a close relationship between what I do as a scientist and what I do as a musician. A musician controls the source of the sound and the path it travels through their instrument in order to make sound waves that we hear as music. An earthquake is the source of waves that travel along a path through the earth until reaching us as shaking. It is almost as if the earth is a musician and people, including seismologists, are metaphorically listening and trying to understand what the music means.

Music Regulators in Two String Quartets: A Comparison of Communicative Behaviors between Low- and High-Stress Performance Conditions

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Biasutti, Michele; Concina, Eleonora; Wasley, David; Williamon, Aaron

2016-01-01

In ensemble performances, group members use particular bodily behaviors as a sort of “language” to supplement the lack of verbal communication. This article focuses on music regulators, which are defined as signs to other group members for coordinating performance. The following two music regulators are considered: body gestures for articulating attacks (a set of movements externally directed that are used to signal entrances in performance) and eye contact. These regulators are recurring observable behaviors that play an important role in non-verbal communication among ensemble members. To understand how they are used by chamber musicians, video recordings of two string quartet performances (Quartet A performing Bartók and Quartet B performing Haydn) were analyzed under two conditions: a low stress performance (LSP), undertaken in a rehearsal setting, and a high stress performance (HSP) during a public recital. The results provide evidence for more emphasis in gestures for articulating attacks (i.e., the perceived strength of a performed attack-type body gesture) during HSP than LSP. Conversely, no significant differences were found for the frequency of eye contact between HSP and LSP. Moreover, there was variability in eye contact during HSP and LSP, showing that these behaviors are less standardized and may change according to idiosyncratic performance conditions. Educational implications are discussed for improving interpersonal communication skills during ensemble performance. PMID:27610089

The hippocampus is an integral part of the temporal limbic system during emotional processing. Comment on "The quartet theory of human emotions: An integrative and neurofunctional model" by S. Koelsch et al.

Science.gov (United States)

Trost, Wiebke; Frühholz, Sascha

2015-06-01

The proposed quartet theory of human emotions by Koelsch and colleagues [1] identifies four different affect systems to be involved in the processing of particular types of emotions. Moreover, the theory integrates both basic emotions and more complex emotion concepts, which include also aesthetic emotions such as musical emotions. The authors identify a particular brain system for each kind of emotion type, also by contrasting them to brain structures that are generally involved in emotion processing irrespective of the type of emotion. A brain system that has been less regarded in emotion theories, but which represents one of the four systems of the quartet to induce attachment related emotions, is the hippocampus.

Synchronization and leadership in string quartet performance: a case study of auditory and visual cues

Science.gov (United States)

Timmers, Renee; Endo, Satoshi; Bradbury, Adrian; Wing, Alan M.

2014-01-01

Temporal coordination between members of a string quartet was investigated across repeated performances of an excerpt of Haydn’s string quartet in G Major, Op. 77 No. 1. Cross-correlations between interbeat intervals of performances at different lags showed a unidirectional dependence of Viola on Violin I, and of Violin I on Cello. Bidirectional dependence was observed for the relationships between Violin II and Cello and Violin II and Viola. Own-reported dependencies after the performances reflected these measured dependencies more closely than dependencies of players reported by the other players, which instead showed more typical leader–follower patterns in which Violin I leads. On the other hand, primary leadership from Violin I was observed in an analysis of the bow speed characteristics preceding the first tone onset. The anticipatory movement of Violin I set the tempo of the excerpt. Taken together the results show a more complex and differentiated pattern of dependencies than expected from a traditional role division of leadership suggesting several avenues for further research. PMID:25002856

Synchronization and leadership in string quartet performance: a case study of auditory and visual cues

Directory of Open Access Journals (Sweden)

Renee eTimmers

2014-06-01

Full Text Available Temporal coordination between members of a string quartet was investigated across repeated performances of an excerpt of Haydn’s string quartet in G Major, Op. 77 No. 1. Cross-correlations between interbeat intervals of performances at different lags showed a unidirectional dependence of Viola on Violin I, and of Violin I on Cello. Bidirectional dependence was observed for the relationships between Violin II and Cello and Violin II and Viola. Own-reported dependencies after the performances reflected these measured dependencies more closely than dependencies of players reported by the other players, which instead showed more typical leader-follower patterns in which Violin I leads. On the other hand, primary leadership from Violin I was observed in an analysis of the bow speed characteristics preceding the first tone onset. The anticipatory movement of Violin I set the tempo of the excerpt. Taken together the results show a more complex and differentiated pattern of dependencies than expected from a traditional role division of leadership suggesting several avenues for further research.

Music regulators in two string quartet ensembles: a comparison of communicative behaviours between low- and high-stress performance conditions

Directory of Open Access Journals (Sweden)

Michele Biasutti

2016-08-01

Full Text Available In ensemble performances, group members use particular bodily behaviours as a sort of language to supplement the lack of verbal communication. This research study focuses on music regulators, which are defined as signs to other group members for coordinating performance. The following two music regulators are considered: body gestures for articulating attacks (a set of movements externally directed that are used to signal entrances in performance and eye contacts. These regulators are recurring observable behaviors that play an important role in nonverbal communication among ensemble members. To understand how these regulators are used by chamber musicians, video recordings of members of two string quartet ensemble performances (Quartet Ensemble A performing Bartók and Quartet Ensemble B performing Haydn were analysed under two conditions: a low stress performance (LSP, undertaken in a rehearsal setting, and a high stress performance (HSP during a live concert. The results provide evidence for more emphasis in gestures for articulating attacks (i.e. the perceived strength of a performed attack-type body gestures during HSP than LSP. . Conversely, no significant differences were found for the frequency of eye contact between HSP and LSP. Moreover, there was variability in eye contacts during HSP and LSP, showing that these behaviours are less standardised and may change according to idiosyncratic performing conditions. Educational implications are discussed for improving interpersonal communication skills during ensemble performance.

Even-parity quartet autodetaching states of He-

International Nuclear Information System (INIS)

Hazi, A.U.

1981-01-01

The total photodetachment cross section of the metastable, (1s2s2p) 4 P 0 state of He - has been recently measured at several wavelengths between 10 μ and 308 nm. As part of these calculations, the even parity, quartet, autodetaching states of He - which are optically connected to the metastable 4 P 0 state and which are associated with the n = 2 and n = 3 states of He were studied. In both the photodetachment and electron scattering calculations, extensive configuration interaction (CI) wavefunctions were used to describe the He target states, the He - resonance states and the photodetachment continua. The Stieltjes moment-theory technique was used to extract the partial photodetachment cross sections from the discrete representations of the electron scattering continua. The use of the Stieltjes technique allowed the inclusion of both channel-channel coupling and fully correlated He 3 S and 3 P 0 wavefunctions in the calculations. Results are presented and discussed

Quintessential quartic quasi-topological quartet

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Ahmed, Jamil [Department of Physics and Astronomy, University of Waterloo,200 University Avenue West, Waterloo, ON, N2L 3G1 (Canada); Department of Mathematics, Quaid-i-Azam University,Islamabad (Pakistan); Hennigar, Robie A. [Department of Physics and Astronomy, University of Waterloo,200 University Avenue West, Waterloo, ON, N2L 3G1 (Canada); Mann, Robert B. [Department of Physics and Astronomy, University of Waterloo,200 University Avenue West, Waterloo, ON, N2L 3G1 (Canada); Perimeter Institute,31 Caroline Street North, Waterloo, ON, N2L 2Y5 (Canada); Mir, Mozhgan [Department of Physics and Astronomy, University of Waterloo,200 University Avenue West, Waterloo, ON, N2L 3G1 (Canada); School of Physics, Institute for Research in Fundamental Sciences (IPM),P.O. Box 19395-5531, Tehran (Iran, Islamic Republic of)

2017-05-25

We construct the quartic version of generalized quasi-topological gravity, which was recently constructed to cubic order in https://arxiv.org/abs/1703.01631. This class of theories includes Lovelock gravity and a known form of quartic quasi-topological gravity as special cases and possess a number of remarkable properties: (i) In vacuum, or in the presence of suitable matter, there is a single independent field equation which is a total derivative. (ii) At the linearized level, the equations of motion on a maximally symmetric background are second order, coinciding with the linearized Einstein equations up to a redefinition of Newton’s constant. Therefore, these theories propagate only the massless, transverse graviton on a maximally symmetric background. (iii) While the Lovelock and quasi-topological terms are trivial in four dimensions, there exist four new generalized quasi-topological terms (the quartet) that are nontrivial, leading to interesting higher curvature theories in d≥4 dimensions that appear well suited for holographic study. We construct four dimensional black hole solutions to the theory and study their properties. A study of black brane solutions in arbitrary dimensions reveals that these solutions are modified from the ‘universal’ properties they possess in other higher curvature theories, which may lead to interesting consequences for the dual CFTs.

Evolutionary considerations on complex emotions and music-induced emotions. Comment on "The quartet theory of human emotions: An integrative and neurofunctional model" by S. Koelsch et al.

Science.gov (United States)

Gingras, Bruno; Marin, Manuela M.

2015-06-01

Recent efforts to uncover the neural underpinnings of emotional experiences have provided a foundation for novel neurophysiological theories of emotions, adding to the existing body of psychophysiological, motivational, and evolutionary theories. Besides explicitly modeling human-specific emotions and considering the interactions between emotions and language, Koelsch et al.'s original contribution to this challenging endeavor is to identify four brain areas as distinct "affect systems" which differ in terms of emotional qualia and evolutionary pathways [1]. Here, we comment on some features of this promising Quartet Theory of Emotions, focusing particularly on evolutionary and biological aspects related to the four affect systems and their relation to prevailing emotion theories, as well as on the role of music-induced emotions.

A statistical method for predicting sound absorbing property of porous metal materials by using quartet structure generation set

International Nuclear Information System (INIS)

Guan, Dong; Wu, Jiu Hui; Jing, Li

2015-01-01

Highlights: • A random internal morphology and structure generation-growth method, termed as the quartet structure generation set (QSGS), has been utilized based on the stochastic cluster growth theory for numerical generating the various microstructures of porous metal materials. • Effects of different parameters such as thickness and porosity on sound absorption performance of the generated structures are studied by the present method, and the obtained results are validated by an empirical model as well. • This method could be utilized to guide the design and fabrication of the sound-absorption porous metal materials. - Abstract: In this paper, a statistical method for predicting sound absorption properties of porous metal materials is presented. To reflect the stochastic distribution characteristics of the porous metal materials, a random internal morphology and structure generation-growth method, termed as the quartet structure generation set (QSGS), has been utilized based on the stochastic cluster growth theory for numerical generating the various microstructures of porous metal materials. Then by using the transfer-function approach along with the QSGS tool, we investigate the sound absorbing performance of porous metal materials with complex stochastic geometries. The statistical method has been validated by the good agreement among the numerical results for metal rubber from this method and a previous empirical model and the corresponding experimental data. Furthermore, the effects of different parameters such as thickness and porosity on sound absorption performance of the generated structures are studied by the present method, and the obtained results are validated by an empirical model as well. Therefore, the present method is a reliable and robust method for predicting the sound absorption performance of porous metal materials, and could be utilized to guide the design and fabrication of the sound-absorption porous metal materials

The quartet theory of human emotions: An integrative and neurofunctional model.

Science.gov (United States)

Koelsch, Stefan; Jacobs, Arthur M; Menninghaus, Winfried; Liebal, Katja; Klann-Delius, Gisela; von Scheve, Christian; Gebauer, Gunter

2015-06-01

Despite an explosion of research in the affective sciences during the last few decades, interdisciplinary theories of human emotions are lacking. Here we present a neurobiological theory of emotions that includes emotions which are uniquely human (such as complex moral emotions), considers the role of language for emotions, advances the understanding of neural correlates of attachment-related emotions, and integrates emotion theories from different disciplines. We propose that four classes of emotions originate from four neuroanatomically distinct cerebral systems. These emotional core systems constitute a quartet of affect systems: the brainstem-, diencephalon-, hippocampus-, and orbitofrontal-centred affect systems. The affect systems were increasingly differentiated during the course of evolution, and each of these systems generates a specific class of affects (e.g., ascending activation, pain/pleasure, attachment-related affects, and moral affects). The affect systems interact with each other, and activity of the affect systems has effects on - and interacts with - biological systems denoted here as emotional effector systems. These effector systems include motor systems (which produce actions, action tendencies, and motoric expression of emotion), peripheral physiological arousal, as well as attentional and memory systems. Activity of affect systems and effector systems is synthesized into an emotion percept (pre-verbal subjective feeling), which can be transformed (or reconfigured) into a symbolic code such as language. Moreover, conscious cognitive appraisal (involving rational thought, logic, and usually language) can regulate, modulate, and partly initiate, activity of affect systems and effector systems. Our emotion theory integrates psychological, neurobiological, sociological, anthropological, and psycholinguistic perspectives on emotions in an interdisciplinary manner, aiming to advance the understanding of human emotions and their neural correlates

The quartet theory of human emotions: An integrative and neurofunctional model

Science.gov (United States)

Koelsch, Stefan; Jacobs, Arthur M.; Menninghaus, Winfried; Liebal, Katja; Klann-Delius, Gisela; von Scheve, Christian; Gebauer, Gunter

2015-06-01

Despite an explosion of research in the affective sciences during the last few decades, interdisciplinary theories of human emotions are lacking. Here we present a neurobiological theory of emotions that includes emotions which are uniquely human (such as complex moral emotions), considers the role of language for emotions, advances the understanding of neural correlates of attachment-related emotions, and integrates emotion theories from different disciplines. We propose that four classes of emotions originate from four neuroanatomically distinct cerebral systems. These emotional core systems constitute a quartet of affect systems: the brainstem-, diencephalon-, hippocampus-, and orbitofrontal-centred affect systems. The affect systems were increasingly differentiated during the course of evolution, and each of these systems generates a specific class of affects (e.g., ascending activation, pain/pleasure, attachment-related affects, and moral affects). The affect systems interact with each other, and activity of the affect systems has effects on - and interacts with - biological systems denoted here as emotional effector systems. These effector systems include motor systems (which produce actions, action tendencies, and motoric expression of emotion), peripheral physiological arousal, as well as attentional and memory systems. Activity of affect systems and effector systems is synthesized into an emotion percept (pre-verbal subjective feeling), which can be transformed (or reconfigured) into a symbolic code such as language. Moreover, conscious cognitive appraisal (involving rational thought, logic, and usually language) can regulate, modulate, and partly initiate, activity of affect systems and effector systems. Our emotion theory integrates psychological, neurobiological, sociological, anthropological, and psycholinguistic perspectives on emotions in an interdisciplinary manner, aiming to advance the understanding of human emotions and their neural correlates.

Scale-free brain quartet: artistic filtering of multi-channel brainwave music.

Science.gov (United States)

Wu, Dan; Li, Chaoyi; Yao, Dezhong

2013-01-01

To listen to the brain activities as a piece of music, we proposed the scale-free brainwave music (SFBM) technology, which translated scalp EEGs into music notes according to the power law of both EEG and music. In the present study, the methodology was extended for deriving a quartet from multi-channel EEGs with artistic beat and tonality filtering. EEG data from multiple electrodes were first translated into MIDI sequences by SFBM, respectively. Then, these sequences were processed by a beat filter which adjusted the duration of notes in terms of the characteristic frequency. And the sequences were further filtered from atonal to tonal according to a key defined by the analysis of the original music pieces. Resting EEGs with eyes closed and open of 40 subjects were utilized for music generation. The results revealed that the scale-free exponents of the music before and after filtering were different: the filtered music showed larger variety between the eyes-closed (EC) and eyes-open (EO) conditions, and the pitch scale exponents of the filtered music were closer to 1 and thus it was more approximate to the classical music. Furthermore, the tempo of the filtered music with eyes closed was significantly slower than that with eyes open. With the original materials obtained from multi-channel EEGs, and a little creative filtering following the composition process of a potential artist, the resulted brainwave quartet opened a new window to look into the brain in an audible musical way. In fact, as the artistic beat and tonal filters were derived from the brainwaves, the filtered music maintained the essential properties of the brain activities in a more musical style. It might harmonically distinguish the different states of the brain activities, and therefore it provided a method to analyze EEGs from a relaxed audio perspective.

Using the "Knowledge Quartet" to Quantify Mathematical Knowledge in Teaching: The Development of a Protocol for Initial Teacher Education

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Weston, Tracy L.

2013-01-01

This study examined trainee teachers' mathematical knowledge in teaching (MKiT) over their final year in a US Initial Teacher Education (ITE) programme. This paper reports on an exploratory methodological approach taken to use the "Knowledge Quartet" to quantify MKiT through the development of a new protocol to code trainees' teaching of…

Aesthetic emotions goals. Comment on "The quartet theory of human emotions: An integrative and neurofunctional model" by S. Koelsch et al.

Science.gov (United States)

Perlovsky, Leonid

2015-06-01

Review by Koelsch et al. [10] presents an interdisciplinary theory of emotions, including a neurobiological emotion theory originating in four core emotional systems. The Quartet Theory (QT) includes specifically human emotions and considers the role of language for emotions. This comment considers questions about how the QT can address aesthetic emotions, what class of emotions they are, and what their function in cognition is. Can QT help defining aesthetic emotions neurally and functionally? Such a definition of aesthetic emotions would be necessary for their scientific exploration, because as widely used today there is no definition, aesthetics is defined through art, and art through aesthetics. Since contents of many art museums are not accepted as art by many artists and admirers of art, it is not clear what should be the subject of aesthetic emotions research.

Clustering of nucleosides in the presence of alkali metals: Biologically relevant quartets of guanosine, deoxyguanosine and uridine observed by ESI-MS/MS.

Science.gov (United States)

Aggerholm, Tenna; Nanita, Sergio C; Koch, Kim J; Cooks, R Graham

2003-01-01

Electrospray ionization (ESI) mass spectra of nucleosides, recorded in the presence of alkali metals, display alkali metal ion-bound quartets and other clusters that may have implications for understanding non-covalent interactions in DNA and RNA. The tetramers of guanosine and deoxyguanosine and also their metaclusters (clusters of clusters), cationized by alkali metals, were observed as unusually abundant magic number clusters. The observation of these species in the gas phase parallels previous condensed-phase studies, which show that guanine derivatives can form quartets and metaclusters of quartets in solution in the presence of metal cations. This parallel behavior and also internal evidence suggest that bonding in the guanosine tetramers involves the bases rather than the sugar units. The nucleobases thymine and uracil are known to form magic number pentameric adducts with K+, Cs+ and NH4+ in the gas phase. In sharp contrast, we now show that the nucleosides uridine and deoxythymidine do not form the pentameric clusters characteristic of the corresponding bases. More subtle effects of the sugars are evident in the fact that adenosine and cytidine form numerous higher order clusters with alkali metals, whereas deoxyadenosine and deoxycytidine show no clustering. It is suggested that hydrogen bonding between the bases in the tetramers of dG and rG are the dominant interactions in the clusters, hence changing the ribose group to deoxyribose (and vice versa) generally has little effect. However, the additional hydroxyl group of RNA nucleosides enhances the non-selective formation of higher-order aggregates for adenosine and cytidine and results in the lack of highly stable magic number clusters. Some clusters are the result of aggregation in the course of ionization (ESI) whereas others appear to be intrinsic to the solution being examined. Copyright 2003 John Wiley & Sons, Ltd.

Haydn, segundo Villa-Lobos: uma análise do 1º movimento do Quarteto de cordas nº 7 de Villa-Lobos Haydn, by Villa-Lobos: an analysis of 1st movement of Villa-Lobos's String Quartet #7

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Paulo de Tarso Salles

2012-06-01

Full Text Available Este estudo analisa o 1º movimento do Quarteto de Cordas nº 7 de Villa-Lobos e investiga possíveis referências aos quartetos de cordas compostos por Franz Haydn, como Villa-Lobos sugeriu a Arnaldo Estrella.This article analyses the 1st movement of Villa-Lobos' String Quartet nº 7 and search for possible references to Franz Haydn's string quartets, as suggested by Villa-Lobos in conversations with Arnaldo Estrella.

3,4,5,6-Tetrafluorophenylnitren-2-yl: a ground-state quartet triradical.

Science.gov (United States)

Grote, Dirk; Finke, Christopher; Kossmann, Simone; Neese, Frank; Sander, Wolfram

2010-04-19

The photochemistry of 2-iodo-3,4,5,6-tetrafluorophenyl azide (7 d) has been investigated in argon and neon matrices at 4 K, and the products characterized by IR and EPR spectroscopy. The primary photochemical step is loss of a nitrogen molecule and formation of phenyl nitrene 1 d. Further irradiation with UV or visible light results in mixtures of 1 d with azirine 5 d', ketenimine 6 d', nitreno radical 2 d, and azirinyl radical 9. The relative amounts of these products strongly depend on the matrix and on the irradiation conditions. Nitreno radical 2 d with a quartet ground state was characterized by EPR spectroscopy. Electronic structure calculations in combination with the experimental results allow for a detailed understanding of the properties of this unusual new type of organic high-spin molecules. Copyright © 2010 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

The low-lying quartet electronic states of group 14 diatomic borides XB (X = C, Si, Ge, Sn, Pb)

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Pontes, Marcelo A. P.; de Oliveira, Marcos H.; Fernandes, Gabriel F. S.; Da Motta Neto, Joaquim D.; Ferrão, Luiz F. A.; Machado, Francisco B. C.

2018-04-01

The present work focuses in the characterization of the low-lying quartet electronic and spin-orbit states of diatomic borides XB, in which X is an element of group 14 (C, Si, Ge, Sn, PB). The wavefunction was obtained at the CASSCF/MRCI level with a quintuple-ζ quality basis set. Scalar relativistic effects were also taken into account. A systematic and comparative analysis of the spectroscopic properties for the title molecular series was carried out, showing that the (1)4Π→X4Σ- transition band is expected to be measurable by emission spectroscopy to the GeB, SnB and PbB molecules, as already observed for the lighter CB and SiB species.

Iterative method for Amado's model

International Nuclear Information System (INIS)

Tomio, L.

1980-01-01

A recently proposed iterative method for solving scattering integral equations is applied to the spin doublet and spin quartet neutron-deuteron scattering in the Amado model. The method is tested numerically in the calculation of scattering lengths and phase-shifts and results are found better than those obtained by using the conventional Pade technique. (Author) [pt

Crowdsourced direct-to-consumer genomic analysis of a family quartet.

Science.gov (United States)

Corpas, Manuel; Valdivia-Granda, Willy; Torres, Nazareth; Greshake, Bastian; Coletta, Alain; Knaus, Alexej; Harrison, Andrew P; Cariaso, Mike; Moran, Federico; Nielsen, Fiona; Swan, Daniel; Weiss Solís, David Y; Krawitz, Peter; Schacherer, Frank; Schols, Peter; Yang, Huangming; Borry, Pascal; Glusman, Gustavo; Robinson, Peter N

2015-11-07

We describe the pioneering experience of a Spanish family pursuing the goal of understanding their own personal genetic data to the fullest possible extent using Direct to Consumer (DTC) tests. With full informed consent from the Corpas family, all genotype, exome and metagenome data from members of this family, are publicly available under a public domain Creative Commons 0 (CC0) license waiver. All scientists or companies analysing these data ("the Corpasome") were invited to return results to the family. We released 5 genotypes, 4 exomes, 1 metagenome from the Corpas family via a blog and figshare under a public domain license, inviting scientists to join the crowdsourcing efforts to analyse the genomes in return for coauthorship or acknowldgement in derived papers. Resulting analysis data were compiled via social media and direct email. Here we present the results of our investigations, combining the crowdsourced contributions and our own efforts. Four companies offering annotations for genomic variants were applied to four family exomes: BIOBASE, Ingenuity, Diploid, and GeneTalk. Starting from a common VCF file and after selecting for significant results from company reports, we find no overlap among described annotations. We additionally report on a gut microbiome analysis of a member of the Corpas family. This study presents an analysis of a diverse set of tools and methods offered by four DTC companies. The striking discordance of the results mirrors previous findings with respect to DTC analysis of SNP chip data, and highlights the difficulties of using DTC data for preventive medical care. To our knowledge, the data and analysis results from our crowdsourced study represent the most comprehensive exome and analysis for a family quartet using solely DTC data generation to date.

Sense of Time in A. Akhmatova’s and T.S. Eliot’s Latter Poetry (Comparative Analysis of Poem Without a Hero and Four Quartets

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Anna Kurasova

2018-01-01

Full Text Available Anna Akhmatova and Thomas Stearns Eliot are considered among the most influential representatives of Modernism, Eliot - in Anglo-American Literature, and Akhmatova – in Russian. Modernism emerged at the beginning of the 20th century, seeking to point out people's failure to maintain a culture based on spiritual values,  an idea that was central to the works of Eliot and Akhmatova. By analysing and contrasting their last major poems, Four Quartets and Poem Without a Hero, this paper aims to present Eliot’s and Akhmatova’s perception of time and modernity. Faced with the tragedy of World War II, Eliot and Akhmatova turned to reflecting on notions of time and history. Despite the differences in the poets’ experiences, mentality, and background, Four Quartets and Poem Without a Hero bear a resemblance to each other in many respects and express the common for Akhmatova and Eliot perception of time. The poets saw time as a complex continuum, in which every element has its place and persistently interacts with all the other elements; thus, the past is present in our lives today and shapes our destiny. Therefore, history is not simply a sequence of past events unrelated to the present, but rather an active creator of every moment of our present lives. Establishing the immutable connection between the past, the present, and the future, the poets remind their readers of the notions of sin, guilt and responsibility. The poets also shared an attitude towards modernity, which they saw as a time of lost people who deny their past and for that reason will have no future unless they change. Therefore, in the face of eternity, which is wiser than we are capable of seeing, all that remains for humanity is acceptance and humility.

Comparison of sequencing based CNV discovery methods using monozygotic twin quartets.

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Marc-André Legault

Full Text Available The advent of high throughput sequencing methods breeds an important amount of technical challenges. Among those is the one raised by the discovery of copy-number variations (CNVs using whole-genome sequencing data. CNVs are genomic structural variations defined as a variation in the number of copies of a large genomic fragment, usually more than one kilobase. Here, we aim to compare different CNV calling methods in order to assess their ability to consistently identify CNVs by comparison of the calls in 9 quartets of identical twin pairs. The use of monozygotic twins provides a means of estimating the error rate of each algorithm by observing CNVs that are inconsistently called when considering the rules of Mendelian inheritance and the assumption of an identical genome between twins. The similarity between the calls from the different tools and the advantage of combining call sets were also considered.ERDS and CNVnator obtained the best performance when considering the inherited CNV rate with a mean of 0.74 and 0.70, respectively. Venn diagrams were generated to show the agreement between the different algorithms, before and after filtering out familial inconsistencies. This filtering revealed a high number of false positives for CNVer and Breakdancer. A low overall agreement between the methods suggested a high complementarity of the different tools when calling CNVs. The breakpoint sensitivity analysis indicated that CNVnator and ERDS achieved better resolution of CNV borders than the other tools. The highest inherited CNV rate was achieved through the intersection of these two tools (81%.This study showed that ERDS and CNVnator provide good performance on whole genome sequencing data with respect to CNV consistency across families, CNV breakpoint resolution and CNV call specificity. The intersection of the calls from the two tools would be valuable for CNV genotyping pipelines.

Developing a statistically powerful measure for quartet tree inference using phylogenetic identities and Markov invariants.

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Sumner, Jeremy G; Taylor, Amelia; Holland, Barbara R; Jarvis, Peter D

2017-12-01

Recently there has been renewed interest in phylogenetic inference methods based on phylogenetic invariants, alongside the related Markov invariants. Broadly speaking, both these approaches give rise to polynomial functions of sequence site patterns that, in expectation value, either vanish for particular evolutionary trees (in the case of phylogenetic invariants) or have well understood transformation properties (in the case of Markov invariants). While both approaches have been valued for their intrinsic mathematical interest, it is not clear how they relate to each other, and to what extent they can be used as practical tools for inference of phylogenetic trees. In this paper, by focusing on the special case of binary sequence data and quartets of taxa, we are able to view these two different polynomial-based approaches within a common framework. To motivate the discussion, we present three desirable statistical properties that we argue any invariant-based phylogenetic method should satisfy: (1) sensible behaviour under reordering of input sequences; (2) stability as the taxa evolve independently according to a Markov process; and (3) explicit dependence on the assumption of a continuous-time process. Motivated by these statistical properties, we develop and explore several new phylogenetic inference methods. In particular, we develop a statistically bias-corrected version of the Markov invariants approach which satisfies all three properties. We also extend previous work by showing that the phylogenetic invariants can be implemented in such a way as to satisfy property (3). A simulation study shows that, in comparison to other methods, our new proposed approach based on bias-corrected Markov invariants is extremely powerful for phylogenetic inference. The binary case is of particular theoretical interest as-in this case only-the Markov invariants can be expressed as linear combinations of the phylogenetic invariants. A wider implication of this is that, for

Quadruplexes in 'Dicty': crystal structure of a four-quartet G-quadruplex formed by G-rich motif found in the Dictyostelium discoideum genome.

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Guédin, Aurore; Lin, Linda Yingqi; Armane, Samir; Lacroix, Laurent; Mergny, Jean-Louis; Thore, Stéphane; Yatsunyk, Liliya A

2018-06-01

Guanine-rich DNA has the potential to fold into non-canonical G-quadruplex (G4) structures. Analysis of the genome of the social amoeba Dictyostelium discoideum indicates a low number of sequences with G4-forming potential (249-1055). Therefore, D. discoideum is a perfect model organism to investigate the relationship between the presence of G4s and their biological functions. As a first step in this investigation, we crystallized the dGGGGGAGGGGTACAGGGGTACAGGGG sequence from the putative promoter region of two divergent genes in D. discoideum. According to the crystal structure, this sequence folds into a four-quartet intramolecular antiparallel G4 with two lateral and one diagonal loops. The G-quadruplex core is further stabilized by a G-C Watson-Crick base pair and a A-T-A triad and displays high thermal stability (Tm > 90°C at 100 mM KCl). Biophysical characterization of the native sequence and loop mutants suggests that the DNA adopts the same structure in solution and in crystalline form, and that loop interactions are important for the G4 stability but not for its folding. Four-tetrad G4 structures are sparse. Thus, our work advances understanding of the structural diversity of G-quadruplexes and yields coordinates for in silico drug screening programs and G4 predictive tools.

EM for phylogenetic topology reconstruction on nonhomogeneous data.

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Ibáñez-Marcelo, Esther; Casanellas, Marta

2014-06-17

The reconstruction of the phylogenetic tree topology of four taxa is, still nowadays, one of the main challenges in phylogenetics. Its difficulties lie in considering not too restrictive evolutionary models, and correctly dealing with the long-branch attraction problem. The correct reconstruction of 4-taxon trees is crucial for making quartet-based methods work and being able to recover large phylogenies. We adapt the well known expectation-maximization algorithm to evolutionary Markov models on phylogenetic 4-taxon trees. We then use this algorithm to estimate the substitution parameters, compute the corresponding likelihood, and to infer the most likely quartet. In this paper we consider an expectation-maximization method for maximizing the likelihood of (time nonhomogeneous) evolutionary Markov models on trees. We study its success on reconstructing 4-taxon topologies and its performance as input method in quartet-based phylogenetic reconstruction methods such as QFIT and QuartetSuite. Our results show that the method proposed here outperforms neighbor-joining and the usual (time-homogeneous continuous-time) maximum likelihood methods on 4-leaved trees with among-lineage instantaneous rate heterogeneity, and perform similarly to usual continuous-time maximum-likelihood when data satisfies the assumptions of both methods. The method presented in this paper is well suited for reconstructing the topology of any number of taxa via quartet-based methods and is highly accurate, specially regarding largely divergent trees and time nonhomogeneous data.

A two-level solvable model involving competing pairing interactions

International Nuclear Information System (INIS)

Dussel, G.G.; Maqueda, E.E.; Perazzo, R.P.J.; Evans, J.A.

1986-01-01

A model is considered consisting of nucleons moving in two non-degenerate l-shells and interacting through two pairing residual interactions with (S, T) = (1, 0) and (0, 1). These, together with the single particle hamiltonian induce mutually destructive correlations, giving rise to various collective pictures that can be discussed as representing a two-dimensional space of phases. The model is solved exactly using an O(8)xO(8) group theoretical classification scheme. The transfer of correlated pairs and quartets is also discussed. (orig.)

European Space Agency announces contest to "Name the Cluster Quartet"

Science.gov (United States)

2000-02-01

1. Contest rules The European Space Agency (ESA) is launching a public competition to find the most suitable names for its four Cluster II space weather satellites. The quartet, which are currently known as flight models 5, 6, 7 and 8, are scheduled for launch from Baikonur Space Centre in Kazakhstan in June and July 2000. Professor Roger Bonnet, ESA Director of Science Programme, announced the competition for the first time to the European Delegations on the occasion of the Science Programme Committee (SPC) meeting held in Paris on 21-22 February 2000. The competition is open to people of all the ESA member states (*). Each entry should include a set of FOUR names (places, people, or things from history, mythology, or fiction, but NOT living persons). Contestants should also describe in a few sentences why their chosen names would be appropriate for the four Cluster II satellites. The winners will be those which are considered most suitable and relevant for the Cluster II mission. The names must not have been used before on space missions by ESA, other space organizations or individual countries. One winning entry per country will be selected to go to the Finals of the competition. The prize for each national winner will be an invitation to attend the first Cluster II launch event in mid-June 2000 with their family (4 persons) in a 3-day trip (including excursions to tourist sites) to one of these ESA establishments: ESRIN (near Rome, Italy): winners from France, Ireland, United Kingdom, Belgium. VILSPA (near Madrid, Spain): winners from The Netherlands, Norway, Sweden, Finland. ESTEC (near Amsterdam, The Netherlands): winners from Germany, Denmark, Switzerland, Austria. ESOC (in the Rhine Valley, Germany): winners from Italy, Spain , Portugal. During the first Cluster II launch event (June 2000) the chosen four names for the spacecraft will be announced. The grand prize will be: * a trip for the winner and family (4 people) to Paris where ESA's headquarters are

Moving beyond Watson-Crick models of coarse grained DNA dynamics.

Science.gov (United States)

Linak, Margaret C; Tourdot, Richard; Dorfman, Kevin D

2011-11-28

DNA produces a wide range of structures in addition to the canonical B-form of double-stranded DNA. Some of these structures are stabilized by Hoogsteen bonds. We developed an experimentally parameterized, coarse-grained model that incorporates such bonds. The model reproduces many of the microscopic features of double-stranded DNA and captures the experimental melting curves for a number of short DNA hairpins, even when the open state forms complicated secondary structures. We demonstrate the utility of the model by simulating the folding of a thrombin aptamer, which contains G-quartets, and strand invasion during triplex formation. Our results highlight the importance of including Hoogsteen bonding in coarse-grained models of DNA.

Mixed adenine/guanine quartets with three trans-a2 Pt(II) (a=NH(3) or MeNH(2)) cross-links: linkage and rotational isomerism, base pairing, and loss of NH(3).

Science.gov (United States)

Albertí, Francisca M; Rodríguez-Santiago, Luis; Sodupe, Mariona; Mirats, Andrea; Kaitsiotou, Helena; Sanz Miguel, Pablo J; Lippert, Bernhard

2014-03-17

Of the numerous ways in which two adenine and two guanines (N9 positions blocked in each) can be cross-linked by three linear metal moieties such as trans-a2 Pt(II) (with a=NH3 or MeNH2 ) to produce open metalated purine quartets with exclusive metal coordination through N1 and N7 sites, one linkage isomer was studied in detail. The isomer trans,trans,trans-[{Pt(NH3 )2 (N7-9-EtA-N1)2 }{Pt(MeNH2 )2 (N7-9-MeGH)}2 ][(ClO4 )6 ]⋅3H2 O (1) (with 9-EtA=9-ethyladenine and 9-MeGH=9-methylguanine) was crystallized from water and found to adopt a flat Z-shape in the solid state as far as the trinuclear cation is concerned. In the presence of excess 9-MeGH, a meander-like construct, trans,trans,trans-[{Pt(NH3 )2 (N7-9-EtA-N1)2 }{Pt(MeNH2 )2 (N7-9-MeGH)2 }][(ClO4 )6 ]⋅[(9-MeGH)2 ]⋅7 H2 O (2) is formed, in which the two extra 9-MeGH nucleobases are hydrogen bonded to the two terminal platinated guanine ligands of 1. Compound 1, and likewise the analogous complex 1 a (with NH3 ligands only), undergo loss of an ammonia ligand and formation of NH4 (+) when dissolved in [D6 ]DMSO. From the analogy between the behavior of 1 and 1 a it is concluded that a NH3 ligand from the central Pt atom is lost. Addition of 1-methylcytosine (1-MeC) to such a DMSO solution reveals coordination of 1-MeC to the central Pt. In an analogous manner, 9-MeGH can coordinate to the central Pt in [D6 ]DMSO. It is proposed that the proton responsible for formation of NH4 (+) is from one of the exocyclic amino groups of the two adenine bases, and furthermore, that this process is accompanied by a conformational change of the cation from Z-form to U-form. DFT calculations confirm the proposed mechanism and shed light on possible pathways of this process. Calculations show that rotational isomerism is not kinetically hindered and that it would preferably occur previous to the displacement of NH3 by DMSO. This displacement is the most energetically costly step, but it is compensated by the proton

Critical Assessment of Time-Dependent Density Functional Theory for Excited States of Open-Shell Systems: II. Doublet-Quartet Transitions.

Science.gov (United States)

Li, Zhendong; Liu, Wenjian

2016-06-14

Compared with closed-shell systems, open-shell systems place three additional challenges to time-dependent density functional theory (TD-DFT) for electronically excited states: (a) the spin-contamination problem is a serious issue; (b) the exchange-correlation (XC) kernel may be numerically instable; and (c) the single-determinant description of open-shell ground states readily becomes energetically instable. Confined to flip-up single excitations, the spin-contamination problem can largely be avoided by using the spin-flip TD-DFT (SF-TD-DFT) formalism, provided that a noncollinear XC kernel is employed. As for the numerical instabilities associated with such a kernel, only an ad hoc scheme has been proposed so far, viz., the ALDA0 kernel, which amounts to setting the divergent components (arising from density gradients and kinetic energy density) simply to zero. The ground-state instability problem can effectively be avoided by introducing the Tamm-Dancoff approximation (TDA) to TD-DFT. Therefore, on a general basis, the SF-TDA/ALDA0 Ansatz is so far the only promising means within the TD-DFT framework for flip-up single excitations of open-shell systems. To assess systematically the performance of SF-TDA/ALDA0, in total 61 low-lying quartet excited states of the benchmark set of 11 small radicals [J. Chem. Theory Comput. 2016, 12, 238] are investigated with various XC functionals. Taking the MRCISD+Q (multireference configuration interaction with singles and doubles plus the Davidson correction) results as benchmark, it is found that the mean absolute errors of SF-TDA/ALDA0 with the SAOP (statistical averaging of model orbital potentials), global hybrid, and range-separated hybrid functionals are in the range of 0.2-0.4 eV. This is in line not only with the typical accuracy of TD-DFT for singlet and triplet excited states of closed-shell systems but also with the gross accuracy of spin-adapted TD-DFT for spin-conserving excited states of open-shell systems.

Reformulation od spontaneous symmetry breaking and the Weinberg-Salam model

International Nuclear Information System (INIS)

Rawat, A.S.; Rawat, S.; Negi, O.P.S.

1999-01-01

Spontaneous symmetry breaking and the Weinberg-Salam model have been reformulated in terms of quaternion-valued field variables. The quaternion-valued scalar Lagrangian reduces to four different field equations associated with the scalar quartet of a quaternion field φ φ 0 +e 1φ1 +e 2φ2 +e 3φ3 . It has been shown that the quaternion gauge group SO(4) is spontaneously broken to two gauge groups of SU(2) non Abelian gauge fields. The Weinberg-Salam model of electroweak interaction has been extensively studied to enlarge the gauge group structure SU(2) L xSU(2) R xU(1)

Countdown for the Cluster quartet

Science.gov (United States)

2000-07-01

Following the successful completion of the Cluster II Flight Readiness Review on 23 June, final launch preparations are progressing smoothly and combined operations with the Soyuz-Fregat launch vehicle are now under way. The dual launches, each involving two Cluster spacecraft built under the prime contractorship of Astrium (former Dornier Satellitensysteme GmbH, Germany), are currently scheduled for 15 July with a launch window opening at 14:40 CEST, 12:40 GMT and lasting 6 minutes, and 9 August from Baikonur Space Centre in Kazakhstan. A number of press events have been organised in various countries to coincide with both launches. The main press centre for the first launch will be located at ESA's European Space Operations Centre (ESOC) at Darmstadt in Germany. Local press centres are also being set up in the other ESA establishments: ESRIN (Italy), ESTEC (The Netherlands), and VILSPA (Spain). See attachment for more detailed information and reply form to register at the various sites. Details of the second launch press event, which will be held in London (UK), will be available at a later date. Cluster II Competition Attracts Record Entries. A highlight of the first launch event at ESOC will be the announcement of the overall winner of ESA's "Name the Cluster quartet" competition and the chosen names of the four Cluster II satellites. Last February, members of the public in all of ESA's 15 member states were asked to suggest the most suitable names for the Cluster II spacecraft. The satellites are currently known as flight models (FM) 5, 6, 7 and 8. Competitors were asked to propose a set of four names (places, people, or things from history, mythology, or fiction, but not living persons) and explain in a few sentences the reasons for their choice. After sifting through more than 5,000 entries from all over Europe and debating at length the merits of the various suggestions, the multinational jury eventually produced a list of 15 national prize winners - one

Pitch and Harmony in Gyorgy Ligeti's "Hamburg Concerto" and "Syzygy" for String Quartet

Science.gov (United States)

Corey, Charles

analysis clearly shows that very simple musical intervals turn out to be cornerstones of this piece, traceable throughout the entire Hamburg Concerto. The composition, Syzygy for string quartet, is written in just intonation. Through four movements, the relationships evoked by the titles (always groups of homonyms) are examined and illuminated.

Statistical modeling of the reactions Fe(+) + N2O → FeO(+) + N2 and FeO(+) + CO → Fe(+) + CO2.

Science.gov (United States)

Ushakov, Vladimir G; Troe, Jürgen; Johnson, Ryan S; Guo, Hua; Ard, Shaun G; Melko, Joshua J; Shuman, Nicholas S; Viggiano, Albert A

2015-08-14

The rates of the reactions Fe(+) + N2O → FeO(+) + N2 and FeO(+) + CO → Fe(+) + CO2 are modeled by statistical rate theory accounting for energy- and angular momentum-specific rate constants for formation of the primary and secondary cationic adducts and their backward and forward reactions. The reactions are both suggested to proceed on sextet and quartet potential energy surfaces with efficient, but probably not complete, equilibration by spin-inversion of the populations of the sextet and quartet adducts. The influence of spin-inversion on the overall reaction rate is investigated. The differences of the two reaction rates mostly are due to different numbers of entrance states (atom + linear rotor or linear rotor + linear rotor, respectively). The reaction Fe(+) + N2O was studied either with (6)Fe(+) or with (4)Fe(+) reactants. Differences in the rate constants of (6)Fe(+) and (4)Fe(+) reacting with N2O are attributed to different contributions from electronically excited potential energy surfaces, such as they originate from the open-electronic shell reactants.

The Sommerfeld enhancement in the scotogenic model with large electroweak scalar multiplets

Energy Technology Data Exchange (ETDEWEB)

Chowdhury, Talal Ahmed [Department of Physics, University of Dhaka, P.O. Box 1000, Dhaka (Bangladesh); Nasri, Salah, E-mail: talal@du.ac.bd, E-mail: snasri@uaeu.ac.ae [Department of Physics, UAE University, P.O. Box 17551, Al-Ain (United Arab Emirates)

2017-01-01

We investigate the Sommerfeld enhancement (SE) in the generalized scotogenic model with large electroweak multiplets. We focus on scalar dark matter (DM) candidate of the model and compare DM annihilation cross sections to WW , ZZ , γγ and γ Z at present day in the galactic halo for scalar doublet and its immediate generalization, the quartet in their respective viable regions of parameter space. We find that larger multiplet has sizable Sommerfeld enhanced annihilation cross section compared to the doublet and because of that it is more likely to be constrained by the current H.E.S.S. results and future CTA sensitivity limits.

The microscopic structure and group theory of the interacting boson model

International Nuclear Information System (INIS)

Lipkin, H.J.

1980-01-01

The chains of groups used in calssifying states of the IBM are compared with the chains used in a composite model with j = 3/2 fermion pairs. Many similarities are found, along with differences due to Pauli principle effects in continuum fermion pairs. The classifications are shown to be characterized by several different seniority numbers, which are physically similar but formally different in the two cases because fermion pair and boson pair states used to define seniority in each model correspond to single bosons and four-fermion clusters, respectively, in the other model. The SO(6) and SO(5) groups which define boson pair seniorities in the boson sextet model are isomorphic, respectively, to SU(4) and Sp(4) which have simple physical interpretations in fermion quartet models. (orig.)

Unraveling a Card Trick

Science.gov (United States)

Hoare, Tony; Shankar, Natarajan

In one version of Gilbreath's card trick, a deck of cards is arranged as a series of quartets, where each quartet contains a card from each suit and all the quartets feature the same ordering of the suits. For example, the deck could be a repeating sequence of spades, hearts, clubs, and diamonds, in that order, as in the deck below.

Neutrino mass with large S U (2 )L multiplet fields

Science.gov (United States)

Nomura, Takaaki; Okada, Hiroshi

2017-11-01

We propose an extension of the standard model introducing large S U (2 )L multiplet fields which are quartet and septet scalars and quintet Majorana fermions. These multiplets can induce the neutrino masses via interactions with the S U (2 ) doublet leptons. We then find the neutrino masses are suppressed by a small vacuum expectation value of the quartet/septet and an inverse of the quintet fermion mass, relaxing the Yukawa hierarchies among the standard model fermions. We also discuss collider physics at the Large Hadron Collider, considering the production of charged particles in these multiplets, and due to the effects of violating the custodial symmetry, some specific signatures can be found. Then, we discuss the detectability of these signals.

Pop / Raul Saaremets

Index Scriptorium Estoniae

Saaremets, Raul

2002-01-01

Heliplaatidest Starsailor" Love is Here". Chicago Underground Quartet "Chicago Underground Quartet". Mower "Mower". Kim Wilde "The Very Best of". Mull Historical Society "Loss". Jill Scott "Experience: 826+"

Cluster II quartet take the stage together

Science.gov (United States)

1999-11-01

This is the only occasion on which all four of ESA's Cluster II spacecraft will be on display together in Europe. Four Spacecraft, One Mission The unique event takes place near the end of the lengthy assembly and test programme, during which each individual spacecraft is being assembled in sequence, one after the other. Two have already completed their assembly and systems testing and are about to be stored in special containers at IABG prior to shipment to the Baikonur launch site in Kazakhstan next spring. In the case of the other two, flight models 5 and 8, installation of the science payloads has finished, but their exhaustive series of environmental tests at IABG have yet to begin. Following delivery to the launch site next April, the satellites will be launched in pairs in June and July 2000. Two Soyuz rockets, each with a newly designed Fregat upper stage, are being provided by the Russian-French Starsem company. This will be the first time ESA satellites have been launched from the former Soviet Union. Cluster II is a replacement for the original Cluster mission, which was lost during the maiden launch of Ariane 5 in June 1996. ESA, given the mission's importance in its overall strategy in the area of the Sun-Earth connection, decided to rebuild this unique project. ESA member states supported that proposal. On 3 April 1997, the Agency's Science Programme Committee agreed. Cluster II was born. European Teamwork Scientific institutions and industrial enterprises in almost all the 14 ESA member states and the United States are taking part in the Cluster II project. Construction of the eight Cluster / Cluster II spacecraft has been a major undertaking for European industry. Built into each 1200 kg satellite are six propellant tanks, two pressure tanks, eight thrusters, 80 metres of pipework, about 5 km of wiring, 380 connectors and more than 14 000 electrical contacts. All the spacecraft were assembled in the giant clean room at the Friedrichshafen plant of

Additional electrodes on the Quartet™ LV lead provide more programmable pacing options than bipolar and tripolar equivalents.

Science.gov (United States)

O'Donnell, David; Sperzel, Johannes; Thibault, Bernard; Rinaldi, Christopher A; Pappone, Carlo; Gutleben, Klaus-Jürgen; Leclercq, Christopher; Razavi, Hedi; Ryu, Kyungmoo; Mcspadden, Luke C; Fischer, Avi; Tomassoni, Gery

2017-04-01

The aim of this study was to evaluate any benefits to the number of viable pacing vectors and maximal spatial coverage with quadripolar left ventricular (LV) leads when compared with tripolar and bipolar equivalents in patients receiving cardiac resynchronization therapy (CRT). A meta-analysis of five previously published clinical trials involving the Quartet™ LV lead (St Jude Medical, St Paul, MN, USA) was performed to evaluate the number of viable pacing vectors defined as capture thresholds ≤2.5 V and no phrenic nerve stimulation and maximal spatial coverage of viable vectors in CRT patients at pre-discharge (n = 370) and first follow-up (n = 355). Bipolar and tripolar lead configurations were modelled by systematic elimination of two and one electrode(s), respectively, from the Quartet lead. The Quartet lead with its four pacing electrodes exhibited the greatest number of pacing vectors per patient when compared with the best bipolar and the best tripolar modelled equivalents. Similarly, the Quartet lead provided the highest spatial coverage in terms of the distance between two furthest viable pacing cathodes when compared with the best bipolar and the best tripolar configurations (P tripolar configurations, elimination of the second proximal electrode (M3) resulted in the highest number of viable pacing options per patient. There were no significant differences observed between pre-discharge and first follow-up analyses. The Quartet lead with its four electrodes and the capability to pace from four anatomical locations provided the highest number of viable pacing vectors at pre-discharge and first follow-up visits, providing more flexibility in device programming and enabling continuation of CRT in more patients when compared with bipolar and tripolar equivalents. Published on behalf of the European Society of Cardiology. All rights reserved. © The Author 2016. For permissions please email: journals.permissions@oup.com.

Can modular psychological concepts like affect and emotion be assigned to a distinct subset of regional neural circuits?. Comment on "The quartet theory of human emotions: An integrative and neurofunctional model" by S. Koelsch et al.

Science.gov (United States)

Fehr, Thorsten; Herrmann, Manfred

2015-06-01

The proposed Quartet Theory of Human Emotions by Koelsch and co-workers [11] adumbrates evidence from various scientific sources to integrate and assign the psychological concepts of 'affect' and 'emotion' to four brain circuits or to four neuronal core systems for affect-processing in the brain. The authors differentiate between affect and emotion and assign several facultative, or to say modular, psychological domains and principles of information processing, such as learning and memory, antecedents of affective activity, emotion satiation, cognitive complexity, subjective quality feelings, degree of conscious appraisal, to different affect systems. Furthermore, they relate orbito-frontal brain structures to moral affects as uniquely human, and the hippocampus to attachment-related affects. An additional feature of the theory describes 'emotional effector-systems' for motor-related processes (e.g., emotion-related actions), physiological arousal, attention and memory that are assumed to be cross-linked with the four proposed affect systems. Thus, higher principles of emotional information processing, but also modular affect-related issues, such as moral and attachment related affects, are thought to be handled by these four different physiological sub-systems that are on the other side assumed to be highly interwoven at both physiological and functional levels. The authors also state that the proposed sub-systems have many features in common, such as the selection and modulation of biological processes related to behaviour, perception, attention and memory. The latter aspect challenges an ongoing discussion about the mind-body problem: To which degree do the proposed sub-systems 'sufficiently' cover the processing of complex modular or facultative emotional/affective and/or cognitive phenomena? There are current models and scientific positions that almost completely reject the idea that modular psychological phenomena are handled by a distinct selection of

[Medicine, music, friendship and prejudices: Billroth I and Billroth II, the string quartets Opus 51, N° 1 and N° 2 by Johannes Brahms].

Science.gov (United States)

Cabello, Felipe C

2012-06-01

The great German surgeon Theodor Billroth and the imaginative and creative composer Johannes Brahms had a very close friendship centered on musical activities, that lasted for more than thirty years while they lived and worked in Zurich and Vienna, during the second half of the Nineteenth Century. Billroth, besides his all-consuming medical activities, had time to be a musical enthusiast who directed orchestras, played the violin in chamber music groups, and wrote musical criticism for newspapers. The common affection between these two creative giants is documented by their abundant and effusive correspondence, by the constant requests by Brahms of Billroth's opinions regarding his compositions, and by the positive and stimulating answers that Billroth gave to these requests. Billroth opened his house for musical evenings to play Brahms chamber compositions for the first time, and Brahms dedicated his two Opus 51 string quartets Nos. 1 and 2, known in the musical milieu as Billroth I and II, to his physician friend. Unfortunately, the close bonds between these two geniuses weakened towards the end of their lives as a result of Billroth's becoming intolerant to the lack of social refinements and gruff behavior of the composer. This baffling intolerance of Billroth to his friend Brahms can be better understood after reading Billroth's writings in his book The Medical Sciences in the German Universities. A Study in the History of Civilization. There Billroth expresses strong prejudices against potential medical students of humble social origins, such as those of Brahms, coupled to a primitive anti-Semitism.

Misleading Betas: An Educational Example

Science.gov (United States)

Chong, James; Halcoussis, Dennis; Phillips, G. Michael

2012-01-01

The dual-beta model is a generalization of the CAPM model. In the dual-beta model, separate beta estimates are provided for up-market and down-market days. This paper uses the historical "Anscombe quartet" results which illustrated how very different datasets can produce the same regression coefficients to motivate a discussion of the…

Heraclitean logos and flux in T.S. Eliot’s Four Quartets: 'cosmic consciousness' and 'the still point of the turning world'

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A. Wessels

2001-08-01

Full Text Available T.S. Eliot prefaces “Burnt Norton”, the first of his Four Quartets, with two quotations from the Greek philosopher, Heraclitus. By means of these epigrams, Eliot points us to the Heraclitean opposition and paradoxical interdependence between logos and flux as a paradigm in the poem, a paradigm that he uses for an investigation and articulation of a number of philosophical contemplations. In this paper, I discuss Eliot’s different configurations of the logos/flux paradigm in the poem, firstly to illuminate the relationship between temporality and eternity, secondly, to elaborate the relationship between God and humanity, and thirdly to express the relationship between structured art and chaotic experience. In each instance it is not only the opposition between the two elements that is important, but also the point of contact, the intersection. There is some evidence that Eliot’s depiction of this intersection as, for example, the “moment in and out of time”, is based on personal experience of a transcendent, mystical nature. His expression of this experience is also investigated by comparing it to similar experiences described by others, notably by a Canadian psychiatrist, Richard Maurice Bucke. A comparison of Bucke’s description in his evolutionist text of 1901 and Eliot’s poetic rendering reveals not only surprising similarities but also essential differences which highlights Eliot’s purely Christian interpretation in the face of Bucke’s more universalist approach. For T.S. Eliot, eternity or timelessness can only be accessed through the temporal experience of human consciousness, in fleeting moments of exaltation in daily life, in the charged, timeless configurations of art as an imitation of divine creation, and finally in Christ, who embodies the love of God and is for Eliot the ultimate transection of the temporal and eternal, the flux and the logos.

The covariant consistent quantization of bosonized chiral Schwinger model

International Nuclear Information System (INIS)

Myung, Y.S.

1988-01-01

From Ward-Takahashi identifies and full propagators, the authors obtain a massive Proca field U/sub μ/ which has the positive norm state. There also exists a massless physical scalar field H which turns out to be the positive norm state only for 4e/sup 2/ > 1. It is further shown that a dipole ghost field D and auxiliary field B, as quartet members, belong to the zero norm states

Engineering of Algorithms for Hidden Markov models and Tree Distances

DEFF Research Database (Denmark)

Sand, Andreas

Bioinformatics is an interdisciplinary scientific field that combines biology with mathematics, statistics and computer science in an effort to develop computational methods for handling, analyzing and learning from biological data. In the recent decades, the amount of available biological data has...... speed up all the classical algorithms for analyses and training of hidden Markov models. And I show how two particularly important algorithms, the forward algorithm and the Viterbi algorithm, can be accelerated through a reformulation of the algorithms and a somewhat more complicated parallelization...... contribution to the theoretically fastest set of algorithms presently available to compute two closely related measures of tree distance, the triplet distance and the quartet distance. And I further demonstrate that they are also the fastest algorithms in almost all cases when tested in practice....

The attractive quartet potential energy surface for the CH(a{sup 4}{sigma}{sup {minus}}) + CO reaction: A role for the a {sup 4}A`` state of the ketenyl radical in combustion?

Energy Technology Data Exchange (ETDEWEB)

Schaefer, H.F. III [Univ. of Georgia, Athens (United States)

1993-12-01

Ab initio quantum mechanical techniques, including the self-consistent field (SCF), single and double excitation configuration interaction (CISD), single and double excitation double cluster (CCSD), and the single, double and perturbative triple excitation coupled cluster [CCSD(T)] methods have been applied to study the HCCO(a {sup 4}A{open_quotes}) energy hypersurface. Rate constant measurements suggest an attractive potential for the reaction of CH(a {sup 4}{sigma}{sup -}) with CO, and a vanishingly small energy barrier is predicted here in the CH(a {sup 4}{sigma}{sup -}) + CO reaction channel. The {sup 4}A{open_quotes} state of HCCO is predicted to be bound by about 30 kcal/mol with respect to separated CH(a {sup 4}{sigma}{sup -}) + CO. The authors propose that a spin-forbidden electronic deactivation of CH(a {sup 4}{sigma}{sup -}) might occur through through an intersystem crossing involving the {sup 4}A{open_quotes} state of HCCO. The energetics and the geometries of the reactants and products on both quartet and doublet energy surfaces are presented. The relationship between this research and experimental combustion chemistry has been explored.

Çâr-Ender-Çâr Poems in Classical Turkish Literature

OpenAIRE

TOPAL, Ahmet

2017-01-01

Çâr-ender-çâr is a Persian term, which means quartet and four in four. This term is used in classical Turkish poetry for different poems, which have a common form as a quartet structure and style. Çâr-ender-çâr is used generally with the literary arts like leff ü neşr, taksîm, tensîkü’s-sıfat and known as the poems, which are constructed in a quartet parallelism. Other poems, which are qualified as çâr-ender-çâr are the verses, called in murabba style. These poems are accepted generally as th...

Canonical Cortical Circuit Model Explains Rivalry, Intermittent Rivalry, and Rivalry Memory.

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Shashaank Vattikuti

2016-05-01

Full Text Available It has been shown that the same canonical cortical circuit model with mutual inhibition and a fatigue process can explain perceptual rivalry and other neurophysiological responses to a range of static stimuli. However, it has been proposed that this model cannot explain responses to dynamic inputs such as found in intermittent rivalry and rivalry memory, where maintenance of a percept when the stimulus is absent is required. This challenges the universality of the basic canonical cortical circuit. Here, we show that by including an overlooked realistic small nonspecific background neural activity, the same basic model can reproduce intermittent rivalry and rivalry memory without compromising static rivalry and other cortical phenomena. The background activity induces a mutual-inhibition mechanism for short-term memory, which is robust to noise and where fine-tuning of recurrent excitation or inclusion of sub-threshold currents or synaptic facilitation is unnecessary. We prove existence conditions for the mechanism and show that it can explain experimental results from the quartet apparent motion illusion, which is a prototypical intermittent rivalry stimulus.

In Silico-Based High-Throughput Screen for Discovery of Novel Combinations for Tuberculosis Treatment

Science.gov (United States)

Singh, Ragini; Ramachandran, Vasanthi; Shandil, Radha; Sharma, Sreevalli; Khandelwal, Swati; Karmarkar, Malancha; Kumar, Naveen; Solapure, Suresh; Saralaya, Ramanatha; Nanduri, Robert; Panduga, Vijender; Reddy, Jitendar; Prabhakar, K. R.; Rajagopalan, Swaminathan; Rao, Narasimha; Narayanan, Shridhar; Anandkumar, Anand; Datta, Santanu

2015-01-01

There are currently 18 drug classes for the treatment of tuberculosis, including those in the development pipeline. An in silico simulation enabled combing the innumerably large search space to derive multidrug combinations. Through the use of ordinary differential equations (ODE), we constructed an in silico kinetic platform in which the major metabolic pathways in Mycobacterium tuberculosis and the mechanisms of the antituberculosis drugs were integrated into a virtual proteome. The optimized model was used to evaluate 816 triplets from the set of 18 drugs. The experimentally derived cumulative fractional inhibitory concentration (∑FIC) value was within twofold of the model prediction. Bacterial enumeration revealed that a significant number of combinations that were synergistic for growth inhibition were also synergistic for bactericidal effect. The in silico-based screen provided new starting points for testing in a mouse model of tuberculosis, in which two novel triplets and five novel quartets were significantly superior to the reference drug triplet of isoniazid, rifampin, and ethambutol (HRE) or the quartet of HRE plus pyrazinamide (HREZ). PMID:26149995

Journal of Astrophysics and Astronomy | Indian Academy of Sciences

Indian Academy of Sciences (India)

2016-01-27

Jan 27, 2016 ... Article ID 1. H α Velocity Fields and Galaxy Interaction in the Quartet of Galaxies NGC 7769, 7770, 7771 and 7771A · A. A. Yeghiazaryan T. A. Nazaryan A. A. Hakobyan · More Details Abstract Fulltext PDF. The quartet of galaxies NGC 7769, 7770, 7771 and 7771A is a system of interacting galaxies.

Understanding Motherhood as Maturation: Maternity Scripts in Lois Lowry's "Son"

Science.gov (United States)

Deszcz-Tryhubczak, Justyna; Marecki, Mateusz

2015-01-01

When put together with the other parts of The Giver Quartet, "Son" (2012), Lowry's recently published concluding book, emerges as an odd exception to the focus on young adult protagonists since it foregrounds the mother's perspective and addresses the issue of motherhood. It presents the reader with at least three conceptual models of…

NEAR-INFRARED SPECTRA OF GALACTIC STELLAR CLUSTERS DETECTED ON SPITZER/GLIMPSE IMAGES

International Nuclear Information System (INIS)

Messineo, Maria; Davies, Ben; Figer, Donald F.; Ivanov, Valentin D.; Schuller, Frederic; Menten, Karl M.; Habing, Harm J.; Petr-Gotzens, Monika G.

2009-01-01

We present near-infrared spectroscopic observations of massive stars in three stellar clusters located in the direction of the inner Galaxy. One of them, the Quartet, is a new discovery while the other two were previously reported as candidate clusters identified on mid-infrared Spitzer images (GLIMPSE20 and GLIMPSE13). Using medium-resolution (R = 900-1320) H and K spectroscopy, we firmly establish the nature of the brightest stars in these clusters, yielding new identifications of an early WC and two Ofpe/WN9 stars in the Quartet and an early WC star in GLIMPSE20. We combine this information with the available photometric measurements from Two Micron All Sky Survey, to estimate cluster masses, ages, and distances. The presence of several massive stars places the Quartet and GLIMPSE20 among the small sample of known Galactic stellar clusters with masses of a few 10 3 M sun , and ages from 3 to 8 Myr. We estimate a distance of about 3.5 kpc for GLIMPSE20 and 6.0 kpc for Quartet. The large number of giant stars identified in GLIMPSE13 indicates that it is another massive (∼6500 M sun ) cluster, but older, with an age between 30 and 100 Myr, at a distance of about 3 kpc.

Towards complete spectroscopy of 193Os

International Nuclear Information System (INIS)

Eisermann, Y.; Graw, G.; Metz, A.; Hertenberger, R.; Wirth, H.-F.

2002-01-01

Strong evidence for the existence of supersymmetry in atomic nuclei has been found in the quartet of nuclei 194,195 Pt, 195,196 Au. Our attention is now focused a second quartet of nuclei, that is 193,194 Ir, 192,193 Os where the model is applicable. We investigate the heaviest osmium isotope which is accessible in a single neutron transfer reaction: 193 Os. Excitation energies are known from (d,p) and (n,γ) measurements, but there is limited information about quantum numbers, To measure absolute cross-sections and asymmetries of the 192 Os(d(tilde),p) 193 Os reaction we used our facilities at the Munich tandem accelerator. The 22 MeV beam of vector-polarised deuterons was produced by our new Stern-Gerlach-Source. Outgoing protons were analysed by the Q3D magnetic spectrograph and detected with a strip-detector. The target consisted of a metallic foil of 146 μg/cm 2 highly enriched 192 Os (99%). (author)

Pathgroups, a dynamic data structure for genome reconstruction problems.

Science.gov (United States)

Zheng, Chunfang

2010-07-01

Ancestral gene order reconstruction problems, including the median problem, quartet construction, small phylogeny, guided genome halving and genome aliquoting, are NP hard. Available heuristics dedicated to each of these problems are computationally costly for even small instances. We present a data structure enabling rapid heuristic solution to all these ancestral genome reconstruction problems. A generic greedy algorithm with look-ahead based on an automatically generated priority system suffices for all the problems using this data structure. The efficiency of the algorithm is due to fast updating of the structure during run time and to the simplicity of the priority scheme. We illustrate with the first rapid algorithm for quartet construction and apply this to a set of yeast genomes to corroborate a recent gene sequence-based phylogeny. http://albuquerque.bioinformatics.uottawa.ca/pathgroup/Quartet.html chunfang313@gmail.com Supplementary data are available at Bioinformatics online.

Mechanism of inhibition of HIV-1 integrase by G-tetrad-forming oligonucleotides in Vitro.

Science.gov (United States)

Jing, N; Marchand, C; Liu, J; Mitra, R; Hogan, M E; Pommier, Y

2000-07-14

The G-tetrad-forming oligonucleotides and have been identified as potent inhibitors of human immunodeficiency virus type 1 integrase (HIV-1 IN) activity (Rando, R. F., Ojwang, J., Elbaggari, A., Reyes, G. R., Tinder, R., McGrath, M. S., and Hogan, M. E. (1995) J. Biol. Chem. 270, 1754-1760; Mazumder, A., Neamati, N., Ojwang, J. O., Sunder, S., Rando, R. F., and Pommier, Y. (1996) Biochemistry 35, 13762-13771; Jing, N., and Hogan, M. E. (1998) J. Biol. Chem. 273, 34992-34999). To understand the inhibition of HIV-1 IN activity by the G-quartet inhibitors, we have designed the oligonucleotides and, composed of three and four G-quartets with stem lengths of 19 and 24 A, respectively. The fact that increasing the G-quartet stem length from 15 to 24 A kept inhibition of HIV-1 IN activity unchanged suggests that the binding interaction occurs between a GTGT loop domain of the G-quartet inhibitors and a catalytic site of HIV-1 IN, referred to as a face-to-face interaction. Docking the NMR structure of (Jing and Hogan (1998)) into the x-ray structure of the core domain of HIV-1 IN, HIV-1 IN-(51-209) (Maignan, S., Guilloteau, J.-P. , Qing, Z.-L., Clement-Mella, C., and Mikol, V. (1998) J. Mol. Biol. 282, 359-368), was performed using the GRAMM program. The statistical distributions of hydrogen bonding between HIV-1 IN and were obtained from the analyses of 1000 random docking structures. The docking results show a high probability of interaction between the GTGT loop residues of the G-quartet inhibitors and the catalytic site of HIV-1 IN, in agreement with the experimental observation.

Klavírní trio v české komorní hudbě

OpenAIRE

Pichlíková, Markéta

2011-01-01

Author's precis The aim of this thesis is to survey the history of piano trio, a chamber ensemble, which has since its very beginnings existed in the shadow of more famous string quartet. No works of literature seem to pay as much attention to the piano trios as to the string quartets. It is also appropriate to analyse the origin and history of the oldest ensemble of this type in Czech, to introduce a list of other contemporary piano trios in our country and give some additional information a...

FATAL QUARTET OR QUINTET?

Directory of Open Access Journals (Sweden)

Y. V. Sviryaev

2011-01-01

Full Text Available Correction of potential risk factors is essential for effective therapy for cardiovascular diseases. This clinical case demonstrates negative impact of non-corrected risk factors — obstructive sleep apnea — in occurrence and further progression of cardiovascular disease.

UvrD in Deinococcus radiodurans is optimized for processing G-quadruplex DNA

International Nuclear Information System (INIS)

Das, Anubrata; Misra, H.S.

2015-01-01

Deinococcus radiodurans R1 is a radiation resistant Gram-positive bacterium capable of tolerating very high doses of DNA-damaging agents such as gamma radiation (D10 ∼ 12kGy) desiccation (∼ 5% relative humidity), UVC radiation (D10 ∼ 800J/m 2 ) and hydrogen peroxide (40 mM). It achieves this by using a complex regulatory mechanism and novel proteins. Recently bioinformatic analysis showed several stretches of guanine runs in D.radiodurans genome, which could form G-quartets. The role of G-quartets in regulatory processes is well documented in various organisms. The presence of G -quartets in D. radiodurans means that there are regulatory or structural proteins which would bind to these elements. Several proteins are known to bind G-quartets. Finding the proteins which would bind to G4 DNA is difficult as no specific motifs are available for binding these elements. Also most of the known proteins that are shown to bind to G-quadruplex DNA are of eukaryotic nature. To overcome these challenges we defined a set of known G-quadruplex binding proteins and used a smith-waterman algorithm with our own scoring matrix to homologs of G-quadruplex binding proteins in D.radiodurans. Using bioinformatics analysis, we showed that UvrD (DR 1775) of D. radiodurans has ability to bind/translocate along G-quadruplex DNA, a novel feature in prokaryotes. The translocase activity of DR1775 is ATP specific and this ATPase activity is attenuated by ssDNA. Data supporting UvrD of D. radiodurans as a G-quadruplex DNA metabolizing proteins would be presented. (author)

The performative pleasure of imprecision: a diachronic study of entrainment in music performance

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Andrew eGeeves

2014-10-01

Full Text Available This study focuses in on a moment of live performance in which the entrainment amongst a musical quartet is threatened. Entrainment is asymmetric in so far as there is an ensemble leader who improvises and expands the structure of a last chorus of a piece of music beyond the limits tacitly negotiated during prior rehearsals and performances. Despite the risk of entrainment being disturbed and performance interrupted, the other three musicians in the quartet follow the leading performer and smoothly transition into unprecedented performance territory. We use this moment of live performance to work back through the fieldwork data, building a diachronic study of the development and bases of entrainment in live music performance. We introduce the concept of entrainment and profile previous theory and research relevant to entrainment in music performance. After outlining our methodology, we trace the evolution of the structure of the piece of music from first rehearsal to final performance. Using video clip analysis, interviews and field notes we consider how entrainment shaped and was shaped by the moment of performance in focus. The sense of trust between quartet musicians is established through entrainment processes, is consolidated via smooth adaptation to the threats of disruption. Nonverbal communicative exchanges, via eye contact, gesture and spatial proximity, sustain entrainment through phase shifts occurring swiftly and on the fly in performance contexts. These exchanges permit smooth adaptation promoting trust. This frees the quartet members to play with the potential disturbance of equilibrium inherent in entrained relationships and to play with this tension in an improvisatory way that enhances audience engagement and the live quality of performance.

Attacking 44 Rounds of the SHACAL-2 Block Cipher Using Related-Key Rectangle Cryptanalysis

Science.gov (United States)

Lu, Jiqiang; Kim, Jongsung

SHACAL-2 is a 64-round block cipher with a 256-bit block size and a variable length key of up to 512 bits. It is a NESSIE selected block cipher algorithm. In this paper, we observe that, when checking whether a candidate quartet is useful in a (related-key) rectangle attack, we can check the two pairs from the quartet one after the other, instead of checking them simultaneously; if the first pair does not meet the expected conditions, we can discard the quartet immediately. We next exploit a 35-round related-key rectangle distinguisher with probability 2-460 for the first 35 rounds of SHACAL-2, which is built on an existing 24-round related-key differential and a new 10-round differential. Finally, taking advantage of the above observation, we use the distinguisher to mount a related-key rectangle attack on the first 44 rounds of SHACAL-2. The attack requires 2233 related-key chosen plaintexts, and has a time complexity of 2497.2 computations. This is better than any previously published cryptanalytic results on SHACAL-2 in terms of the numbers of attacked rounds.

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...

Splicing Regulatory Elements and mRNA-abundance of dlg1 and capt, Genetically Interacting with dFMRP in Drosophila Brain

Directory of Open Access Journals (Sweden)

Maria Petrova

2014-09-01

Full Text Available To further understand the molecular and cellular mechanisms underlying the disease, we used the Drososphila FraX model and investigated a not well studied role of Drosophila Fragile X Mental Retardation Protein (dFMRP in alternative splicing of neuronal mRNAs to which it binds via a G-quartet sequence. By means of qRT-PCR we established the relative abundance of some isoforms of the gene dlg1, resulting from alternative exon skipping nearby a G-quartet and an exonic ESE-sequence, both acting as exonic splicing enhancers. We also investigated the relative mRNA-abundance of all capt-isoforms and the pre-mRNAs of both genes. We proposed a possible involvement of dFMRP in alternative splicing of genes, interacting with dfmr1. In the absence of dFMRP in larval and pupal brains, we found a change in the mRNA-level of one of the studied isoforms of dlg1 and of its pre-mRNA.We also established previously reported splicing regulatory elements and predicted computationally novel hexamere sequences in the exonic/intronic ends of both genes with p upative regulatory roles in alternative splicing.

Cu 4s → 4p atomic like excitations in the Ne matrix.

Science.gov (United States)

Hatano, Yasuyo; Tatewaki, Hiroshi; Yamamoto, Shigeyoshi

2013-06-07

The lowest three or four excited states (the triplet or quartet states) of the Cu atom in a neon (Ne) matrix have been studied experimentally, and have been presumed to have the electronic configuration of Cu 4p(1). The origins of the triplet and the quartet are not yet fully clear, although many models have been proposed. It has been argued, for example, that the existence of different trapping sites would give rise to two partly overlapping triplets, leading to spectra having three or four lines or more. Below, the electronic structures of the ground state and lowest excited states of the Cu atom in the neon matrix are clarified by means of ab initio molecular orbital calculations, using the cluster model. It was found that a rather large vacancy (hollow) with residual Ne atoms is vital for explaining the observed spectra having three or more lines; the Cu atom occupies the center of the substitutional site of a face-centered cubic (fcc)-like cluster comprising 66 Ne atoms, in which the first shell composed of 12 Ne atoms is empty. The presence of the residual Ne atoms in the first shell gives rise to more than three excited states, explaining the experimental spectra. Electron-electron interaction (including the crystal field) and spin-orbit interaction are both important in explaining the experimental spectra.

Pop / Ringo Ringvee

Index Scriptorium Estoniae

Ringvee, Ringo, 1968-

2005-01-01

Heliplaatidest: Damian "Jr. Gong" Marley "Welcome To Jamrock", Ladytron "Withing hour", Staind "Chapter V", Nihilistikrypt "Required Sacrifices", Kronos Quartet and Asha Boshle "You've Stolen My Heart"

Re-Identification of the Many-World Background of Special Relativity as Four-World Background. Part II

Directory of Open Access Journals (Sweden)

Adekugbe A. O. J.

2011-01-01

Full Text Available The re-identification of the many-world background of the special theory of relativity (SR as four-world background in the first part of this paper (instead of two-wold background isolated in the initial papers, is concluded in this second part. The flat two-dimensional intrinsic spacetime, which underlies the flat four-dimensional spacetime in each universe, introduced as ansatz in the initial paper, is derived formally within the four-world picture. The identical magnitudes of masses, identical sizes and identical shapes of the four members of every quartet of symmetry-partner particles or objects in the four universes are shown. The immutability of Lorentz invariance on flat spacetime of SR in each of the four universes is shown to arise as a consequence of the perfect symmetry of relative motion at all times among the four members of every quartet of symmetry-partner particles and objects in the four universes. The perfect symmetry of relative motions at all times, coupled with the identical magnitudes of masses, identical sizes and identical shapes, of the members of every quartet of symmetry-partner particles and objects in the four universes, guarantee perfect symmetry of state among the universes.

Disordering of human telomeric G-quadruplex with novel antiproliferative anthrathiophenedione.

Directory of Open Access Journals (Sweden)

Dmitry Kaluzhny

Full Text Available Linear heteroareneanthracenediones have been shown to interfere with DNA functions, thereby causing death of human tumor cells and their drug resistant counterparts. Here we report the interaction of our novel antiproliferative agent 4,11-bis[(2-{[acetimido]amino}ethylamino]anthra[2,3-b]thiophene-5,10-dione with telomeric DNA structures studied by isothermal titration calorimetry, circular dichroism and UV absorption spectroscopy. New compound demonstrated a high affinity (K(ass∼10⁶ M⁻¹ for human telomeric antiparallel quadruplex d(TTAGGG₄ and duplex d(TTAGGG₄∶d(CCCTAA₄. Importantly, a ∼100-fold higher affinity was determined for the ligand binding to an unordered oligonucleotide d(TTAGGG TTAGAG TTAGGG TTAGGG unable to form quadruplex structures. Moreover, in the presence of Na+ the compound caused dramatic conformational perturbation of the telomeric G-quadruplex, namely, almost complete disordering of G-quartets. Disorganization of a portion of G-quartets in the presence of K+ was also detected. Molecular dynamics simulations were performed to illustrate how the binding of one molecule of the ligand might disrupt the G-quartet adjacent to the diagonal loop of telomeric G-quadruplex. Our results provide evidence for a non-trivial mode of alteration of G-quadruplex structure by tentative antiproliferative drugs.

Spin-flip processes in low-energy Fe17+ + He collisions

International Nuclear Information System (INIS)

Bruch, R.; Altick, P.L.; Rauscher, E.; Wang, H.; Schneider, D.

1993-01-01

Spin-nonconserving electron transfer processes violating the ''Wigner rule'' have been studied for slow multiply charged ion-atom collisions. Experimentally a strong population of highly metastable sodium-like quartet states in low energy Fe 17+ + He single collision events has been observed. The possibility of double-electron capture plus spin-flip mechanisms has been discussed experimentally and theoretically, Our theoretical model using time dependent perturbation theory predicts that spin-flip processes are as likely as no spin flip under the conditions of our experiment

BRST quantization of Polyakov's two-dimensional gravity

International Nuclear Information System (INIS)

Itoh, Katsumi

1990-01-01

Two-dimensional gravity coupled to minimal models is quantized in the chiral gauge by the BRST method. By using the Wakimoto construction for the gravity sector, we show how the quartet mechanism of Kugo and Ojima works and solve the physical state condition. As a result the positive semi-definiteness of the physical subspace is shown. The formula of Knizhnik et al. for gravitational scaling dimensions is rederived from the physical state condition. We also observe a relation between the chiral gauge and the conformal gauge. (orig.)

Rooting phylogenetic trees under the coalescent model using site pattern probabilities.

Science.gov (United States)

Tian, Yuan; Kubatko, Laura

2017-12-19

Phylogenetic tree inference is a fundamental tool to estimate ancestor-descendant relationships among different species. In phylogenetic studies, identification of the root - the most recent common ancestor of all sampled organisms - is essential for complete understanding of the evolutionary relationships. Rooted trees benefit most downstream application of phylogenies such as species classification or study of adaptation. Often, trees can be rooted by using outgroups, which are species that are known to be more distantly related to the sampled organisms than any other species in the phylogeny. However, outgroups are not always available in evolutionary research. In this study, we develop a new method for rooting species tree under the coalescent model, by developing a series of hypothesis tests for rooting quartet phylogenies using site pattern probabilities. The power of this method is examined by simulation studies and by application to an empirical North American rattlesnake data set. The method shows high accuracy across the simulation conditions considered, and performs well for the rattlesnake data. Thus, it provides a computationally efficient way to accurately root species-level phylogenies that incorporates the coalescent process. The method is robust to variation in substitution model, but is sensitive to the assumption of a molecular clock. Our study establishes a computationally practical method for rooting species trees that is more efficient than traditional methods. The method will benefit numerous evolutionary studies that require rooting a phylogenetic tree without having to specify outgroups.

Süvamuusika / Mart Normet

Index Scriptorium Estoniae

Normet, Mart, 1979-

2005-01-01

Uutest heliplaatidest Steve Reich "You Are (Variations)", Lepo Sumera "Mushroom Cantata & Other Choral Works", Gidon Kremer, Oleg Maisenberg "Enescu, Schulhoff, Bartok Violin Sonatas", KTU "8 Armed Monkey", Kronos Quartet & Asha Bhosle

Plaadid / Berk Vaher

Index Scriptorium Estoniae

Vaher, Berk, 1975-

2002-01-01

Heliplaatide Primal Scream "Evil Heat", Music From The Motion Picture "Scooby-Doo", Emma Shapplin "Etterna", Soweto String Quartet "Four", Korn "Untouchables", Cesaria Evora "Anthology", Terry Callier "Speak Your Peace", Kodo "Mondo Head"

Vanad sõbrad ja uued tuttavad Oistrahhi-festivalil / Toivo Traks

Index Scriptorium Estoniae

Traks, Toivo

2007-01-01

Kontsertidest David Oistrahhi festivali raames: soome pianist Antti Siirala ja RTE Vanbrugh Quartet 21. juulil Eliisabeti kirikus, noordirigentide Suveakadeemia lõppkontsert 22. juulil Pärnu kontserdimajas, Peterburi Festivaliorkester 23. juulil Eliisabeti kirikus

Arvustused / Tõnis Leemets

Index Scriptorium Estoniae

Leemets, Tõnis

2000-01-01

Uute heliplaatide Los Angeles Guitar Quartet "Air & Ground", Merz "Merz", The Mighty Mighty Bosstones "Pay Attention", Nasa "Remembering The Future", Nits "Wool", "The Million Dollar hotel - Music From The Motion Picture" tutvustus

Electric dipole moments and chemical bonding of diatomic alkali-alkaline earth molecules.

Science.gov (United States)

Pototschnig, Johann V; Hauser, Andreas W; Ernst, Wolfgang E

2016-02-17

We investigate the properties of alkali-alkaline earth diatomic molecules in the lowest Σ(+) states of the doublet and quartet multiplicity by ab initio calculations. In all sixteen cases studied, the permanent electric dipole moment points in opposite directions for the two spin states. This peculiarity can be explained by molecular orbital theory. We further discuss dissociation energies and bond distances. We analyze trends and provide an empirically motivated model for the prediction of the permanent electric dipole moment for combinations of alkali and alkaline earth atoms not studied in this work.

David Oistrahhi festival läheneb lõpule / Toivo Traks

Index Scriptorium Estoniae

Traks, Toivo

2006-01-01

Kontsertidest David Oistrahhi festivali raames: saksa viola da gamba mängija Holger Faust-Peters ja klavessinist Iren Lill 19. juulil Pärnu Eliisabeti kirikus, briti laulja Patricia Rozario ja RTE Vanbrugh Quartet 20. juulil Eliisabeti kirikus

Testing for Polytomies in Phylogenetic Species Trees Using Quartet Frequencies.

Science.gov (United States)

Sayyari, Erfan; Mirarab, Siavash

2018-02-28

Phylogenetic species trees typically represent the speciation history as a bifurcating tree. Speciation events that simultaneously create more than two descendants, thereby creating polytomies in the phylogeny, are possible. Moreover, the inability to resolve relationships is often shown as a (soft) polytomy. Both types of polytomies have been traditionally studied in the context of gene tree reconstruction from sequence data. However, polytomies in the species tree cannot be detected or ruled out without considering gene tree discordance. In this paper, we describe a statistical test based on properties of the multi-species coalescent model to test the null hypothesis that a branch in an estimated species tree should be replaced by a polytomy. On both simulated and biological datasets, we show that the null hypothesis is rejected for all but the shortest branches, and in most cases, it is retained for true polytomies. The test, available as part of the Accurate Species TRee ALgorithm (ASTRAL) package, can help systematists decide whether their datasets are sufficient to resolve specific relationships of interest.

Testing for Polytomies in Phylogenetic Species Trees Using Quartet Frequencies

Science.gov (United States)

Sayyari, Erfan

2018-01-01

Phylogenetic species trees typically represent the speciation history as a bifurcating tree. Speciation events that simultaneously create more than two descendants, thereby creating polytomies in the phylogeny, are possible. Moreover, the inability to resolve relationships is often shown as a (soft) polytomy. Both types of polytomies have been traditionally studied in the context of gene tree reconstruction from sequence data. However, polytomies in the species tree cannot be detected or ruled out without considering gene tree discordance. In this paper, we describe a statistical test based on properties of the multi-species coalescent model to test the null hypothesis that a branch in an estimated species tree should be replaced by a polytomy. On both simulated and biological datasets, we show that the null hypothesis is rejected for all but the shortest branches, and in most cases, it is retained for true polytomies. The test, available as part of the Accurate Species TRee ALgorithm (ASTRAL) package, can help systematists decide whether their datasets are sufficient to resolve specific relationships of interest. PMID:29495636

Pühapäev kunsti ja muusikaga / Mari Hiiemäe

Index Scriptorium Estoniae

Hiiemäe, Mari

2008-01-01

Jazzkaare 20. aprillil korraldatavast kunsti ja muusika pühapäevast Niguliste muuseumis (esineb East-West Quartet), Tallinna Kunstihoones (Estonian Guitar Octet), Rotermanni soolalaos (Raivo Tafenau ja Meelis Vindi duo) ja Kumu auditooriumis (laulja Kelli Uustani plaadiesitlus)

Uudised : Therese Raide loominguline õhtu. Küünlakuu kontsert Adamson-Ericus. Maailmamuusika tippansambel Eestis / Toomas Kuter

Index Scriptorium Estoniae

Kuter, Toomas, 1965-

2001-01-01

20. veebr. toimub T. Raide loominguline õhtu, kus tähistatakse muusiku 80. sünnipäeva. 18. veebr. toimub Adamson-Ericu muuseumis kolmas kontsert sarjast "Barokkmaastikud". Terem-Quartet esineb 22. veebr. Tartus ja 23. veebr. Tallinnas

Big physics quartet win government backing

Science.gov (United States)

Banks, Michael

2014-09-01

Four major physics-based projects are among 10 to have been selected by Japan’s Ministry of Education, Culture, Sports, Science and Technology for funding in the coming decade as part of its “roadmap” of big-science projects.

Plaadid / Mart Normet

Index Scriptorium Estoniae

Normet, Mart, 1979-

2006-01-01

Uutest heliplaatidest Tõnis Mägi "Vestlus Hermanniga", Tanel Padar & The Sun "Veidi valjem kui vaikus", Solveig Slettahjell & Slow Motion Quartet "Pixiedust", "Brokeback Mountain", "Lindström & Prins Thomas", Pia Fraus "Nature Heart Software", Richard Ashcroft "Keys To The World"

Kirju ja vastuoluline "Wien Modern 2007" / Saale Kareda

Index Scriptorium Estoniae

Kareda, Saale, 1968-

2008-01-01

Festivalist "Wien Modern 2007", festivali peaheliloojad Georg Friedrich Haas ja Luciano Berio. Pikemalt G. F. Haasi muusikast ja festivali kontsertidest. Frank Schefferi filmide retrospektiivist, pikemalt filmist "Helicopter String Quartet" - helilooja Karlheinz Stockhausenist. Järgneb nr. 3, lk. 67-75

Remarks on nonlinear relation among phases and frequencies in modulational instabilities of parallel propagating Alfvén waves

Directory of Open Access Journals (Sweden)

Y. Nariyuki

2006-01-01

Full Text Available Nonlinear relations among frequencies and phases in modulational instability of circularly polarized Alfvén waves are discussed, within the context of one dimensional, dissipation-less, unforced fluid system. We show that generation of phase coherence is a natural consequence of the modulational instability of Alfvén waves. Furthermore, we quantitatively evaluate intensity of wave-wave interaction by using bi-coherence, and also by computing energy flow among wave modes, and demonstrate that the energy flow is directly related to the phase coherence generation. We first discuss the modulational instability within the derivative nonlinear Schrödinger (DNLS equation, which is a subset of the Hall-MHD system including the right- and left-hand polarized, nearly degenerate quasi-parallel Alfvén waves. The dominant nonlinear process within this model is the four wave interaction, in which a quartet of waves in resonance can exchange energy. By numerically time integrating the DNLS equation with periodic boundary conditions, and by evaluating relative phase among the quartet of waves, we show that the phase coherence is generated when the waves exchange energy among the quartet of waves. As a result, coherent structures (solitons appear in the real space, while in the phase space of the wave frequency and the wave number, the wave power is seen to be distributed around a straight line. The slope of the line corresponds to the propagation speed of the coherent structures. Numerical time integration of the Hall-MHD system with periodic boundary conditions reveals that, wave power of transverse modes and that of longitudinal modes are aligned with a single straight line in the dispersion relation phase space, suggesting that efficient exchange of energy among transverse and longitudinal wave modes is realized in the Hall-MHD. Generation of the longitudinal wave modes violates the assumptions employed in deriving the DNLS such as the quasi

Popmuusika / Valner Valme

Index Scriptorium Estoniae

Valme, Valner, 1970-

2006-01-01

Uutest heliplaatidest Jim Noir "Tower Of Love", Blink 182 "Greatest Hits", Martin Solveig "Hedonist", Kronos Quartet and Asha Bhosle "You've Stolen My Heart", Vicente Amigo "Un Momento En El Sonido", Cream "Royal Albert Hall London May", Värttinä "Miero"

Reviews: Books | Burden | Journal of the Musical Arts in Africa

African Journals Online (AJOL)

Nightingale String Quartet and Nofinishi Dywili (2010). The Bow Project. Two compact disks and booklet. Faroe Islands, Denmark: TUTL Records. Catalogue number FKT044. $13.47. Full Text: EMAIL FULL TEXT EMAIL FULL TEXT · DOWNLOAD FULL TEXT DOWNLOAD FULL TEXT · AJOL African ...

Muusikamaailm : Dresdeni festival pühendub Hispaaniale. Händeli festival Göttingenis. Siemensi preemia Arditti kvartetile. Metropolitan Opera Orchestra Euroopas. Haydni festival Inglismaal / Priit Kuusk

Index Scriptorium Estoniae

Kuusk, Priit, 1938-

1999-01-01

21.05-6.06 toimuvast Dresdeni muusikafestivalist. Händelipidustuste tippsündmuseks on helilooja harvaesitatava ooperi "Arianna in Creta" ettekanne. Ernst von Siemensi Fondi tänavuse preemia pälvis Arditti Quartet. Metropolitan Opera Orchestra Euroopa-ringreisist. 7.juunini kestvatest Haydni pidustustest Shropshire"is

Adjusting the Danish industrial relations system after Laval

DEFF Research Database (Denmark)

Refslund, Bjarke

2015-01-01

Adjusting the Danish IR-system after Laval: Re-calibration rather than erosion Following some significant rulings that later became known as the Laval-quartet from the European Court of Justice (ECJ) many analyses have been concerned with the future implications for the highly regulated Nordic...

Pop / Tristan Priimägi, Tõnu Kaalep, Aleksander T. Yostafa...[jt.

Index Scriptorium Estoniae

2008-01-01

Heliplaatidest: Gorillaz "D Sides", Kronos Quartet and Wu Man, Jape "The Monkeys In The Zoo Have More Fun Than Me", These New Puritans "Beat Pyramid", Promise and the Monster "Transparent Knives", Shelby Lynn "Just A Little Iovin", Morrissey "Greatest Hits", Eels "Meet The Eels"

Voltammetry and Molecular Assembly of G-quadruplex DNAzyme on Single-crystal Au(111)-electrode Surfaces – Hemin as an Electrochemical Intercalator

DEFF Research Database (Denmark)

Zhang, Ling; Ulstrup, Jens; Zhang, Jingdong

2016-01-01

DNA quadruplexes (qs’s) are a class of “non-canonical” oligonucleotides (OGNs) composed of stacked guanine (G) quartets generally stabilized by monovalent cations. Metal porphyrins selectively bind to G-qs complexes to form DNAzyme, which can exhibit peroxidase and other catalytic activity simila...

Antiferroquadrupolar ordering and anisotropic magnetic phase diagram of dysprosium palladium bronze, DyPd3S4

International Nuclear Information System (INIS)

Matsuoka, Eiichi; Tayama, Takashi; Sakakibara, Toshiro; Hiroi, Zenji; Takeda, Naoya; Ishikawa, Masayasu; Shirakawa, Naoki

2007-01-01

From the measurements of magnetization and specific heat, we constructed B-T phase diagrams of single-crystalline DyPd 3 S 4 which is known to exhibit antiferroquadrupolar (AFQ) and antiferromagnetic (AFM) ordering at low temperatures. The phase diagrams are found to be highly anisotropic and re-entrant, which are typical of rare-earth compounds exhibiting multipolar ordering. The crystalline electric field (CEF) scheme of Dy 3+ in DyPd 3S4 was deduced from the specific heat and magnetization measurements of the Y-diluted compounds Dy 1-x Y x Pd 3 S 4 (0.1≤x≤0.9) and discussed in detail. The CEF ground state was determined to be the orbitally-degenerated quartet Γ 67 (1) , and the overall splitting width was estimated to be about 104 K. No correlation was found between the anisotropy of T Q and that of the Zeeman splitting width of the ground quartet Γ 67 (1) . (author)

Effect of single-particle splitting in the exact wave function of the isovectorial pairing Hamiltonian

International Nuclear Information System (INIS)

Lerma H, S.

2010-01-01

The structure of the exact wave function of the isovectorial pairing Hamiltonian with nondegenerate single-particle levels is discussed. The way that the single-particle splittings break the quartet condensate solution found for N=Z nuclei in a single degenerate level is established. After a brief review of the exact solution, the structure of the wave function is analyzed and some particular cases are considered where a clear interpretation of the wave function emerges. An expression for the exact wave function in terms of the isospin triplet of pair creators is given. The ground-state wave function is analyzed as a function of pairing strength, for a system of four protons and four neutrons. For small and large values of the pairing strength a dominance of two-pair (quartets) scalar couplings is found, whereas for intermediate values enhancements of the nonscalar couplings are obtained. A correlation of these enhancements with the creation of Cooper-like pairs is observed.

AFRIMEDIC VOL. 1, NO. 2

African Journals Online (AJOL)

Buchi

hypertension, hyperglycemia and gout, the syndrome has been the subject of much academic and clinical discourse and even controversy. Reaven, regarded as the father of the metabolic syndrome named it. 5 syndrome X. The other synonyms include: cardio- metabolic syndrome, diabesity, the deadly quartet, and. 3, 5, 6.

Doubly excited states of the LiI isoelectronic sequence

International Nuclear Information System (INIS)

To, K.X.; Knystautas, E.; Drouin, R.; Berry, H.G.

1978-01-01

The term level diagrams of the doubly excited quartet systems of the LiI isoelectronic sequence up to Ne VIII are presented. The identifications are based on recent theoretical and experimental work which suggest a revision particularly of the 2s3p/sup 4po/ terms. 11 references

Nonpeturbative cavity-QED between a single quantum dot and a metal nanoparticle

DEFF Research Database (Denmark)

Van Vlack, C.; Kristensen, Philip Trøst; Hughes, S.

2012-01-01

modes. The vacuum Rabi doublet becomes a rich spectral quartet with two of the four peaks anticrossing, and surviving in spite of significant non-radiative decays. We also discuss the role of optical quenching and highlight the importance of accounting for photon transport from the dot to the detector...

Quotation and Framing

DEFF Research Database (Denmark)

Petersen, Nils Holger

2010-01-01

. In Black Angels the composer – among other well-known pieces of music – quotes the medieval dies irae sequence and the second movement of Schubert’s string quartet in D minor (D. 810). The musical and intermedial references are framed with striking modernistic sounds exploring instrumental possibilities...

Evaluation of polar organic micropollutants as indicators for wastewater-related coastal water quality impairment

International Nuclear Information System (INIS)

Nödler, Karsten; Tsakiri, Maria; Aloupi, Maria; Gatidou, Georgia; Stasinakis, Athanasios S.; Licha, Tobias

2016-01-01

Results from coastal water pollution monitoring (Lesvos Island, Greece) are presented. In total, 53 samples were analyzed for 58 polar organic micropollutants such as selected herbicides, biocides, corrosion inhibitors, stimulants, artificial sweeteners, and pharmaceuticals. Main focus is the application of a proposed wastewater indicator quartet (acesulfame, caffeine, valsartan, and valsartan acid) to detect point sources and contamination hot-spots with untreated and treated wastewater. The derived conclusions are compared with the state of knowledge regarding local land use and infrastructure. The artificial sweetener acesulfame and the stimulant caffeine were used as indicators for treated and untreated wastewater, respectively. In case of a contamination with untreated wastewater the concentration ratio of the antihypertensive valsartan and its transformation product valsartan acid was used to further refine the estimation of the residence time of the contamination. The median/maximum concentrations of acesulfame and caffeine were 5.3/178 ng L"−"1 and 6.1/522 ng L"−"1, respectively. Their detection frequency was 100%. Highest concentrations were detected within the urban area of the capital of the island (Mytilene). The indicator quartet in the gulfs of Gera and Kalloni (two semi-enclosed embayments on the island) demonstrated different concentration patterns. A comparatively higher proportion of untreated wastewater was detected in the gulf of Gera, which is in agreement with data on the wastewater infrastructure. The indicator quality of the micropollutants to detect wastewater was compared with electrical conductivity (EC) data. Due to their anthropogenic nature and low detection limits, the micropollutants are superior to EC regarding both sensitivity and selectivity. The concentrations of atrazine, diuron, and isoproturon did not exceed the annual average of their environmental quality standards (EQS) defined by the European Commission. At two

Model of ultrafast demagnetization driven by spin-orbit coupling in a photoexcited antiferromagnetic insulator Cr2O3

Science.gov (United States)

Guo, Feng; Zhang, Na; Jin, Wei; Chang, Jun

2017-06-01

We theoretically study the dynamic time evolution following laser pulse pumping in an antiferromagnetic insulator Cr2O3. From the photoexcited high-spin quartet states to the long-lived low-spin doublet states, the ultrafast demagnetization processes are investigated by solving the dissipative Schrödinger equation. We find that the demagnetization times are of the order of hundreds of femtoseconds, in good agreement with recent experiments. The switching times could be strongly reduced by properly tuning the energy gaps between the multiplet energy levels of Cr3+. Furthermore, the relaxation times also depend on the hybridization of atomic orbitals in the first photoexcited state. Our results suggest that the selective manipulation of the electronic structure by engineering stress-strain or chemical substitution allows effective control of the magnetic state switching in photoexcited insulating transition-metal oxides.

Journal of Astrophysics and Astronomy | Indian Academy of Sciences

Indian Academy of Sciences (India)

2016-01-27

Jan 27, 2016 ... The quartet of galaxies NGC 7769, 7770, 7771 and 7771A is a system of interacting galaxies. Close interaction between galaxies caused characteristic morphological features: tidal arms and bars, as well as an induced star formation. In this study, we performed the Fabry–Perot scanning interferometry of ...

What is Skilled Coping?

DEFF Research Database (Denmark)

Høffding, Simon

2014-01-01

or reflecting. He uses examples from various experts, such a chess-, baseball-, and soccer players, to illustrate this. I argue that his account suffers from a reductive dualism between coping and reflection and further from a lack of clarity. I use my work with the string quartet to illustrate that so...

Spontaneous emission spectra and quantum light-matter interactions from a strongly coupled quantum dot metal-nanoparticle system

DEFF Research Database (Denmark)

Van Vlack, C.; Kristensen, Philip Trøst; Hughes, S.

2012-01-01

the dot to the detector, we demonstrate that the strong-coupling regime should be observable in the far-field spontaneous emission spectrum, even at room temperature. The vacuum-induced emission spectra show that the usual vacuum Rabi doublet becomes a rich spectral triplet or quartet with two of the four...

Soliton bubbles and phase transformations

International Nuclear Information System (INIS)

Masperi, L.

1989-01-01

It is shown that no topological classical solutions in form of bubbles of a real scalar field theory with Lagrangian of quartet and sextet self interactions in 1+1 dimensions are responsible to discontinue transitions in the quantum problem between phases with degenerated and disordered excited level. (M.C.K.)

From trench to governance: A necessary metamorphosis for hamas ...

African Journals Online (AJOL)

The paper focuses on the hard line position of the Bush Administration towards. Hamas in the wake of its victory at the polls in Palestine and the seeming disagreement amongst members of the Middle East Quartet. Citing and commencing with the George Washington Administration, the paper presents a global overview of ...

CH{sub 3} and CD{sub 3} radicals isolated in argon: high resolution ESR spectra and analysis by three-dimensional quantum rotor model. A case study of low temperature quantum effects on radicals

Energy Technology Data Exchange (ETDEWEB)

Shiotani, Masaru; Yamada, Tomoya; Komaguchi, Kenji [Hiroshima Univ., Higashi-Hiroshima (Japan). Faculty of Engineering; Benetis, N.P.; Lund, A.; Soernes, A.R.

1998-10-01

The present study deals with high resolution isotropic ESR spectra of the CH{sub 3} and CD{sub 3} radicals isolated in solid argon matrix at low temperature from 4 K to 40 K. Argon gases mixed with methane (Ar/methane {approx_equal} 500 mole ratio) were condensed at the end of Suprasile ESR tube at 4.2 K. Methyl radicals were generated by X-ray irradiation at 4 K and subjected to an ESR study. The 6.0 K ESR spectrum of the CH{sub 4}/Ar system is shown in Fig. 1. For CH{sub 3} radical the {sup 1}H hyperfine (hf) quartet was observed with an equal intensity (A-lines). The E-lines were absent at 4 K, but became visible at m{sub F} = {+-}1/2 positions above 12 K increased with temperature. The CD{sub 3} gave a peculiar spectrum at 4 K with an abnormally strong central singlet superimposed on a much weaker seven line spectrum of a freely rotating CD{sub 3}. The temperature dependent spectra showed clear quantum effects due to three-dimensional spin-rotation couplings. The spectra were analyzed with the following assumptions: (a) a planar D{sub 3} geometry, (b) a free and three-dimensional quantum rotation and (c) a thermally isolated radical. Application of the Pauli principle in combination to the D{sub 3} point group resulted in interesting selections for ESR-transitions for both the CH{sub 3} and CD{sub 3} spectra. That is, the {sup 1}H hf quartet of CH{sub 3} radical (A-lines) was attributed to the rotational ground state, J=0, with totally symmetric A{sub 1} nuclear states. The central strong singlet of CD{sub 3} was attributed to one spin-rotation state with A{sub 2} antisymmetric nuclear states at the lowest rotational level of J=0. (author)

Short G-rich oligonucleotides as a potential therapeutic for Huntington's Disease

Directory of Open Access Journals (Sweden)

Parekh-Olmedo Hetal

2006-10-01

Full Text Available Abstract Background Huntington's Disease (HD is an inherited autosomal dominant genetic disorder in which neuronal tissue degenerates. The pathogenesis of the disease appears to center on the development of protein aggregates that arise initially from the misfolding of the mutant HD protein. Mutant huntingtin (Htt is produced by HD genes that contain an increased number of glutamine codons within the first exon and this expansion leads to the production of a protein that misfolds. Recent studies suggest that mutant Htt can nucleate protein aggregation and interfere with a multitude of normal cellular functions. Results As such, efforts to find a therapy for HD have focused on agents that disrupt or block the mutant Htt aggregation pathway. Here, we report that short guanosine monotonic oligonucleotides capable of adopting a G-quartet structure, are effective inhibitors of aggregation. By utilizing a biochemical/immunoblotting assay as an initial screen, we identified a 20-mer, all G-oligonucleotide (HDG as an active molecule. Subsequent testing in a cell-based assay revealed that HDG was an effective inhibitor of aggregation of a fusion protein, comprised of a mutant Htt fragment and green fluorescent protein (eGFP. Taken together, our results suggest that a monotonic G-oligonucleotide, capable of adopting a G-quartet conformation is an effective inhibitor of aggregation. This oligonucleotide can also enable cell survival in PC12 cells overexpressing a mutant Htt fragment fusion gene. Conclusion Single-stranded DNA oligonucleotides capable of forming stable G-quartets can inhibit aggregation of the mutant Htt fragment protein. This activity maybe an important part of the pathogenecity of Huntington's Disease. Our results reveal a new class of agents that could be developed as a therapeutic approach for Huntington's Disease.

Journal of Astrophysics and Astronomy | Indian Academy of Sciences

Indian Academy of Sciences (India)

2016-01-27

Jan 27, 2016 ... Home; Journals; Journal of Astrophysics and Astronomy. A. A. Hakobyan. Articles written in Journal of Astrophysics and Astronomy. Volume 37 Issue 1 March 2016 pp 1. H α Velocity Fields and Galaxy Interaction in the Quartet of Galaxies NGC 7769, 7770, 7771 and 7771A · A. A. Yeghiazaryan T. A. ...

Valued Estonian Music CDs

Index Scriptorium Estoniae

2004-01-01

2002. aastal välja antud eesti muusika heliplaatidest Artur Kapp "Symphonische Werke", Eduard Tubin "Symphonies No.9, No.10 and No.11", "Estonian Preludes", "Eesti heliloojad. Hortus Musicus", "Eesti Muusika Päevad", "Tallinn Saxophone Quartet. Estonian Contemporary Music", "Triskele. Kolga-Jaani vaimulikud rahvalaulud", "Helmekaala. Linnupuu Anne", "Modern Fox mängib Raimond Valgret",

Thrombin-Binding Aptamer Quadruplex Formation: AFM and Voltammetric Characterization

Directory of Open Access Journals (Sweden)

Victor Constantin Diculescu

2010-01-01

Full Text Available The adsorption and the redox behaviour of thrombin-binding aptamer (TBA and extended TBA (eTBA were studied using atomic force microscopy and voltammetry at highly oriented pyrolytic graphite and glassy carbon. The different adsorption patterns and degree of surface coverage were correlated with the sequence base composition, presence/absence of K+, and voltammetric behaviour of TBA and eTBA. In the presence of K+, only a few single-stranded sequences present adsorption, while the majority of the molecules forms stable and rigid quadruplexes with no adsorption. Both TBA and eTBA are oxidized and the only anodic peak corresponds to guanine oxidation. Upon addition of K+ ions, TBA and eTBA fold into a quadruplex, causing the decrease of guanine oxidation peak and occurrence of a new peak at a higher potential due to the oxidation of G-quartets. The higher oxidation potential of G-quartets is due to the greater difficulty of electron transfer from the inside of the quadruplex to the electrode surface than electron transfer from the more flexible single strands.

Are Stopped Strings Preferred in Sad Music?

Directory of Open Access Journals (Sweden)

David Huron

2017-01-01

Full Text Available String instruments may be played either with open strings (where the string vibrates between the bridge and a hard wooden nut or with stopped strings (where the string vibrates between the bridge and a performer's finger pressed against the fingerboard. Compared with open strings, stopped strings permit the use of vibrato and exhibit a darker timbre. Inspired by research on the timbre of sad speech, we test whether there is a tendency to use stopped strings in nominally sad music. Specifically, we compare the proportion of potentially open-to-stopped strings in a sample of slow, minor-mode movements with matched major-mode movements. By way of illustration, a preliminary analysis of Samuel Barber's famous Adagio from his Opus 11 string quartet shows that the selected key (B-flat minor provides the optimum key for minimizing open string tones. However, examination of a broader controlled sample of quartet movements by Haydn, Mozart and Beethoven failed to exhibit the conjectured relationship. Instead, major-mode movements were found to avoid possible open strings more than slow minor-mode movements.

Political legitimacy and celebrity politicians

DEFF Research Database (Denmark)

Pace, Michelle; Bergman Rosamond, Annika

2018-01-01

observers questioning his credentials for such a role. The EU, along with the US, Russia and the UN, makes up the Quartet and funded Blair’s office until 2012. With the US and the EU as the key regional players in this conflict, Blair became an embodiment of these players in this specific role. This article...

Music and Physics (Montreux Festival 2014)

CERN Multimedia

Caraban Gonzalez, Noemi

2014-01-01

12 July, 17:00 - Petit Palais Donald Sinta Quartet performing an original piece by Roger Zare called "LHC", synchronised to the discovery of the Higgs boson Domenico Vicinanza and his sonifications of data from the LHC and the Voyager missions The Cosmic Piano of the ALICE Experiment at CERN A duet between jazz pianist Al Blatter and the Cosmos

Transient modeling of non-Fickian transport and first-order reaction using continuous time random walk

Science.gov (United States)

Burnell, Daniel K.; Hansen, Scott K.; Xu, Jie

2017-09-01

Contaminants in groundwater may experience a broad spectrum of velocities and multiple rates of mass transfer between mobile and immobile zones during transport. These conditions may lead to non-Fickian plume evolution which is not well described by the advection-dispersion equation (ADE). Simultaneously, many groundwater contaminants are degraded by processes that may be modeled as first-order decay. It is now known that non-Fickian transport and reaction are intimately coupled, with reaction affecting the transport operator. However, closed-form solutions for these important scenarios have not been published for use in applications. In this paper, we present four new Green's function analytic solutions in the uncoupled, uncorrelated continuous time random walk (CTRW) framework for reactive non-Fickian transport, corresponding to the quartet of conservative tracer solutions presented by Kreft and Zuber (1978) for Fickian transport. These consider pulse injection for both resident and flux concentration combined with detection in both resident and flux concentration. A pair of solutions for resident concentration temporal pulses with detection in both flux and resident concentration is also presented. We also derive the relationship between flux and resident concentration for non-Fickian transport with first-order reaction for this CTRW formulation. An explicit discussion of employment of the new solutions to model transport with arbitrary upgradient boundary conditions as well as mobile-immobile mass transfer is then presented. Using the new solutions, we show that first-order reaction has no effect on the anomalous spatial spreading rate of concentration profiles, but produces breakthrough curves at fixed locations that appear to have been generated by Fickian transport. Under the assumption of a Pareto CTRW transition distribution, we present a variety of numerical simulations including results showing coherence of our analytic solutions and CTRW particle

Time-dependent density functional theory/discrete reaction field spectra of open shell systems: The visual spectrum of [FeIII(PyPepS)2]- in aqueous solution.

Science.gov (United States)

van Duijnen, Piet Th; Greene, Shannon N; Richards, Nigel G J

2007-07-28

We report the calculated visible spectrum of [FeIII(PyPepS)2]- in aqueous solution. From all-classical molecular dynamics simulations on the solute and 200 water molecules with a polarizable force field, 25 solute/solvent configurations were chosen at random from a 50 ps production run and subjected the systems to calculations using time-dependent density functional theory (TD-DFT) for the solute, combined with a solvation model in which the water molecules carry charges and polarizabilities. In each calculation the first 60 excited states were collected in order to span the experimental spectrum. Since the solute has a doublet ground state several excitations to states are of type "three electrons in three orbitals," each of which gives rise to a manifold of a quartet and two doublet states which cannot properly be represented by single Slater determinants. We applied a tentative scheme to analyze this type of spin contamination in terms of Delta and Delta transitions between the same orbital pairs. Assuming the associated states as pure single determinants obtained from restricted calculations, we construct conformation state functions (CFSs), i.e., eigenfunctions of the Hamiltonian Sz and S2, for the two doublets and the quartet for each Delta,Delta pair, the necessary parameters coming from regular and spin-flip calculations. It appears that the lower final states remain where they were originally calculated, while the higher states move up by some tenths of an eV. In this case filtering out these higher states gives a spectrum that compares very well with experiment, but nevertheless we suggest investigating a possible (re)formulation of TD-DFT in terms of CFSs rather than determinants.

Automatic Transcription of Polyphonic Vocal Music

Directory of Open Access Journals (Sweden)

Andrew McLeod

2017-12-01

Full Text Available This paper presents a method for automatic music transcription applied to audio recordings of a cappella performances with multiple singers. We propose a system for multi-pitch detection and voice assignment that integrates an acoustic and a music language model. The acoustic model performs spectrogram decomposition, extending probabilistic latent component analysis (PLCA using a six-dimensional dictionary with pre-extracted log-spectral templates. The music language model performs voice separation and assignment using hidden Markov models that apply musicological assumptions. By integrating the two models, the system is able to detect multiple concurrent pitches in polyphonic vocal music and assign each detected pitch to a specific voice type such as soprano, alto, tenor or bass (SATB. We compare our system against multiple baselines, achieving state-of-the-art results for both multi-pitch detection and voice assignment on a dataset of Bach chorales and another of barbershop quartets. We also present an additional evaluation of our system using varied pitch tolerance levels to investigate its performance at 20-cent pitch resolution.

Diet, Microbiota, Obesity, and NAFLD: A Dangerous Quartet

Science.gov (United States)

Machado, Mariana Verdelho; Cortez-Pinto, Helena

2016-01-01

Recently, the importance of the gut-liver-adipose tissue axis has become evident. Nonalcoholic fatty liver disease (NAFLD) is the hepatic disease of a systemic metabolic disorder that radiates from energy-surplus induced adiposopathy. The gut microbiota has tremendous influences in our whole-body metabolism, and is crucial for our well-being and health. Microorganisms precede humans in more than 400 million years and our guest flora evolved with us in order to help us face aggressor microorganisms, to help us maximize the energy that can be extracted from nutrients, and to produce essential nutrients/vitamins that we are not equipped to produce. However, our gut microbiota can be disturbed, dysbiota, and become itself a source of stress and injury. Dysbiota may adversely impact metabolism and immune responses favoring obesity and obesity-related disorders such as insulin resistance/diabetes mellitus and NAFLD. In this review, we will summarize the latest evidence of the role of microbiota/dysbiota in diet-induced obesity and NAFLD, as well as the potential therapeutic role of targeting the microbiota in this set. PMID:27043550

Hybrid Type Theory: A Quartet in Four Movements

Directory of Open Access Journals (Sweden)

Antonia Huertas

2011-08-01

Full Text Available This paper sings a song — a song created by bringing together the work of four great names in the history of logic: Hans Reichenbach, Arthur Prior, Richard Montague, and Leon Henkin. Although the work of the first three of these authors have previously been combined, adding the ideas of Leon Henkin is the addition required to make the combination work at the logical level. But the present paper does not focus on the underlying technicalities (these can be found in Areces, Blackburn, Huertas, and Manzano [to appear] rather it focusses on the underlying instruments, and the way they work together. We hope the reader will be tempted to sing a long.

P-d capture reactions in muonic molecules

International Nuclear Information System (INIS)

Friar, J.L.

1991-01-01

Capture reactions for very low-energy n-d and p-d systems are calculated and compared with experiment, as are low-energy n-d and p-d scattering. We find excellent agreement for the n-d scattering lengths, but poor agreement for the p-d case, which we believe is a problem with the experimental extrapolation. The n-d radiative capture is sensitive to details of the meson-exchange currents, but reasonable models agree with the data. The latter models are in good agreement with experiment when extended to the p-d case. Our large quartet capture rate resolves a long-standing anomaly. The EO capture matrix element recently obtained from a reanalysis of internal conversion in muonic molecules is in excellent agreement with our predictions. This matrix element is very clean theoretically and provides the best test of the calculations. 33 refs., 3 figs., 1 tab

Thermodynamic properties of water molecules in the presence of cosolute depend on DNA structure: a study using grid inhomogeneous solvation theory

Science.gov (United States)

Nakano, Miki; Tateishi-Karimata, Hisae; Tanaka, Shigenori; Tama, Florence; Miyashita, Osamu; Nakano, Shu-ichi; Sugimoto, Naoki

2015-01-01

In conditions that mimic those of the living cell, where various biomolecules and other components are present, DNA strands can adopt many structures in addition to the canonical B-form duplex. Previous studies in the presence of cosolutes that induce molecular crowding showed that thermal stabilities of DNA structures are associated with the properties of the water molecules around the DNAs. To understand how cosolutes, such as ethylene glycol, affect the thermal stability of DNA structures, we investigated the thermodynamic properties of water molecules around a hairpin duplex and a G-quadruplex using grid inhomogeneous solvation theory (GIST) with or without cosolutes. Our analysis indicated that (i) cosolutes increased the free energy of water molecules around DNA by disrupting water–water interactions, (ii) ethylene glycol more effectively disrupted water–water interactions around Watson–Crick base pairs than those around G-quartets or non-paired bases, (iii) due to the negative electrostatic potential there was a thicker hydration shell around G-quartets than around Watson–Crick-paired bases. Our findings suggest that the thermal stability of the hydration shell around DNAs is one factor that affects the thermal stabilities of DNA structures under the crowding conditions. PMID:26538600

Identification of new solar OH lines in the 10--12 micron region

International Nuclear Information System (INIS)

Goldman, A.; Murcray, F.J.; Gillis, J.R.; Murcray, D.G.

1981-01-01

High-resolution (0.02 cm -1 ) infrared solar spectra obtained with a balloon-borne interferometer reveal new solar absorption features, which appear as regularly spaced quartets, in the 825--960 cm -1 region. The lines are interpreted as high N'' (25--33) pure rotation lines of solar OH. An effective amount of approx.8 x 10 15 molecules cm -2 of OH is estimated from the spectra

The difference between emotion and affect. Comment on "The quartet theory of human emotions: An integrative and neurofunctional model" by S. Koelsch et al.

Science.gov (United States)

Cochrane, Tom

2015-06-01

Koelsch and colleagues have produced a fascinating model that convincingly argues for the existence of four neuroanatomically distinct systems involved in our emotions. As I understood it, the claim was that these systems build upon each other, each one introducing a new sophistication that allows a distinct class of emotional states to emerge. For instance, the hippocampus enables the generation of emotions related to long-term attachment as opposed to simple reward and punishment [1, Section 2.3.2]. However, it was uncertain why we should stop at four affect systems. Many different brain structures contribute an additional sophistication to emotional function; could there not be a class of emotions associated with each of these sophistications? How distinctive does the new function, or the new class of emotions have to be to qualify? Should we be on the lookout for neural structures associated with meta-emotions [2] or epistemic emotions [3] as well?

Properties of the Excited States of Molecular Ions.

Science.gov (United States)

1981-04-13

FIg. 1). techniques have beest applied to the study of quartet states of Oi. The four potential curves most relevant Guyon et al., using a synchrotron...8217 a’ a a C ’U ~ ~ ~ ~ ~ ~ ~ 2 2,~ C a ’I C~- C ’ 𔃺 𔃺 𔃺 ’ ’ C- ~ C-E-38- ’- u A() A09a 265 SRI INTERNATIONAL 14FNLO PARK CA MOLECULAR PHYSICS LAB F

What it is? A question on the derivation of musical meaning

Directory of Open Access Journals (Sweden)

Michael Laurence Woods

2010-06-01

Full Text Available The article begins by looking at the general context in which the concept of meaning has been presented as residing traditionally within the notions of reference, symbol and representation and specifically whether such implicitly ontological distinctions apply to music. The Viennese revolt against this as expressed in the writings and compositions of Schoenberg, as well as the philosophical writings of Wittgenstein, indicate a possible derivation of musical meaning. Schoenberg replies to Kolisch's analysis of the Third String Quartet by suggesting that musicological analysis may help with technical indications but cannot help people see what the composition is. The question is: how does music have the effect which it has on us? The author suggests that a mere empirical analysis, musicological or scientific, will result in failure as it considers the composition merely as an object with properties. Music is, rather, an active meaning-giving operation in which temporality, as a result of the imagination, brings the composition into a unity. The imagination, the “I-Thinking art concealed in the depths of the human soul” infuses apprehension such that the “I” adopts an affective disposition to the world in terms of mood and intransitive feeling. Schoenberg's Third String Quartet expresses this precisely.

On the Scalability of Computing Triplet and Quartet Distances

DEFF Research Database (Denmark)

Holt, Morten Kragelund; Johansen, Jens; Brodal, Gerth Stølting

2014-01-01

We present the first I/O- and practically-efficient algorithm for simplifying a planar subdivision, such that no point is moved more than a given distance εxy and such that neighbor relations between faces (homotopy) are preserved. Under some practically realistic assumptions, our algorithm uses ....... For example, for the contour map simplification problem it is significantly faster than the previous algorithm, while obtaining approximately the same simplification factor. Read More: http://epubs.siam.org/doi/abs/10.1137/1.9781611973198.3...

π-Stacking interactions between G-quartets and circulenes: A ...

Indian Academy of Sciences (India)

School of Chemistry, Indian Institute of Science Education and Research Thiruvananthapuram,. CET Campus ... ligands and DNA at the molecular level is important for the design of new drugs and probes that can recog- nize specific DNA ...

State space in BRST-quantization and Kugo-Ojima quartets

International Nuclear Information System (INIS)

Rybkin, G.N.

1989-01-01

The structure of the state space in the BRST-quantization is considered and the connection between different approaches to the proof of the positive definiteness of the metric on the physical state space is established. The correspondence between different expressions for the BRST-charge, quadratic in fields, is obtained. The relation between different representations of the BRST-algebra is found. 22 refs

Changes in vibrational properties of coated wood through ti me from application of varnish, with recipes used in European or Iranian string instruments making

OpenAIRE

Brémaud , Iris; Karami , Elham; Bardet , Sandrine; Gilles , Nicolas; Perego , François; Zare , Samad; Gril , Joseph ,

2016-01-01

International audience; The influence of vanishing process on the vibrational properties of the wood+coating systems was studied using different types and recipes of instrument making varnishes, used in traditional Iranian string instruments making, or in European violin-quartet making. The focus is on the time evolution of these properties, that can be involved in the changing behaviour of newly made instruments. The different tested varnishes recipes were applied on wood representative of e...

Topological Crystalline Insulators and Dirac Octets in Anti-perovskites

OpenAIRE

Hsieh, Timothy H.; Liu, Junwei; Fu, Liang

2014-01-01

We predict a new class of topological crystalline insulators (TCI) in the anti-perovskite material family with the chemical formula A$_3$BX. Here the nontrivial topology arises from band inversion between two $J=3/2$ quartets, which is described by a generalized Dirac equation for a "Dirac octet". Our work suggests that anti-perovskites are a promising new venue for exploring the cooperative interplay between band topology, crystal symmetry and electron correlation.

Nucleon-deuteron low energy parameters

International Nuclear Information System (INIS)

Zankel, H.; Mathelitsch, L.

1983-01-01

Momentum space Fadeev equations are solved for nucleon-deuteron scattering and effective range parameters are calculated. A reverse trend is found in the two spin states by 4 asub(nd) 4 asub(pd) and 2 asub(pd) 2 asub(nd) which is in agreement with a configuration space calculation, but in conflict with all existing experiments. The Coulomb contributions to the effective range are small in quartet but sizeable in doublet scattering. (Author)

Extended BRS algebra and color confinement criteria

International Nuclear Information System (INIS)

Shintani, Meiun.

1983-09-01

We examine the color-confinement criteria proposed by Kugo and Ojima. With the use of the extended BRS symmetry and the Nakanishi's theorem, we look for the representations of the BRS algebra compatible with the first condition of their criteria (the K-O condition) and then ask whether or not they are physically acceptable. As a result, the quartet mechanism does not work, and the K-O condition is not regarded as a confinement condition. (author)

Genome-wide comparative analysis of phylogenetic trees: the prokaryotic forest of life.

Science.gov (United States)

Puigbò, Pere; Wolf, Yuri I; Koonin, Eugene V

2012-01-01

Genome-wide comparison of phylogenetic trees is becoming an increasingly common approach in evolutionary genomics, and a variety of approaches for such comparison have been developed. In this article, we present several methods for comparative analysis of large numbers of phylogenetic trees. To compare phylogenetic trees taking into account the bootstrap support for each internal branch, the Boot-Split Distance (BSD) method is introduced as an extension of the previously developed Split Distance method for tree comparison. The BSD method implements the straightforward idea that comparison of phylogenetic trees can be made more robust by treating tree splits differentially depending on the bootstrap support. Approaches are also introduced for detecting tree-like and net-like evolutionary trends in the phylogenetic Forest of Life (FOL), i.e., the entirety of the phylogenetic trees for conserved genes of prokaryotes. The principal method employed for this purpose includes mapping quartets of species onto trees to calculate the support of each quartet topology and so to quantify the tree and net contributions to the distances between species. We describe the application of these methods to analyze the FOL and the results obtained with these methods. These results support the concept of the Tree of Life (TOL) as a central evolutionary trend in the FOL as opposed to the traditional view of the TOL as a "species tree."

Dimerization of human immunodeficiency virus (type 1) RNA: stimulation by cations and possible mechanism.

Science.gov (United States)

Marquet, R; Baudin, F; Gabus, C; Darlix, J L; Mougel, M; Ehresmann, C; Ehresmann, B

1991-05-11

The retroviral genome consists of two identical RNA molecules joined close to their 5' ends by the dimer linkage structure. Recent findings indicated that retroviral RNA dimerization and encapsidation are probably related events during virion assembly. We studied the cation-induced dimerization of HIV-1 RNA and results indicate that all in vitro generated HIV-1 RNAs containing a 100 nucleotide domain downstream from the 5' splice site are able to dimerize. RNA dimerization depends on the concentration of RNA, mono- and multivalent cations, the size of the monovalent cation, temperature, and pH. Up to 75% of HIV-1 RNA is dimeric in the presence of spermidine. HIV-1 RNA dimer is fairly resistant to denaturing agents and unaffected by intercalating drugs. Antisense HIV-1 RNA does not dimerize but heterodimers can be formed between HIV-1 RNA and either MoMuLV or RSV RNA. Therefore retroviral RNA dimerization probably does not simply proceed through mechanisms involving Watson-Crick base-pairing. Neither adenine and cytosine protonation, nor quartets containing only guanines appear to determine the stability of the HIV-1 RNA dimer, while quartets involving both adenine(s) and guanine(s) could account for our results. A consensus sequence PuGGAPuA found in the putative dimerization-encapsidation region of all retroviral genomes examined may participate in the dimerization process.

Fundamental quark, lepton correspondence and dynamics with weak decay interactions

International Nuclear Information System (INIS)

Van der Spuy, E.

1977-10-01

A nonlinear fermion-field equation of motion and its (in principle) exact solutions, making use of the previously developed technique of infinite component free spinor fields, are discussed. It is shown to be essential for the existence of the solutions to introduce the isosymmetry breaking mechanism by coupling the isospin polarization of the domain of the universe of such particle fields to the field isospin. The essential trigger for the isosymmetry breaking mechanism is the existence of the electromagnetic interaction and the photon fields, carrying an infinite range isospin polarization change in the domain. A quartet of proton, neutron, lambda and charmed quark field solutions, with their respective characteristic Regge trajectories and primary isospin quantum numbers, and a quartet of lepton fields electron neutrino, electron, muon, muon nutrino, are shown to emerge naturally. The equations of motion of the quark and lepton propagators are deduced. The complicated charge nature of the quarks and the need for quark confinement is discussed and a correspondence principle is established between the quark and lepton field solutions. The correspondence is such that the dynamics of the leptons on their own appears to be compatible with quantum electrodynamics on the one hand, and on the other hand permits a natural GIM-Cabibbo weak decay interaction with a Cibibbo angle equal to the domain isospin polarization-change phase angle

Time-dependent nonequilibrium soft x-ray response during a spin crossover

Science.gov (United States)

van Veenendaal, Michel

2018-03-01

A theoretical framework is developed for better understanding the time-dependent soft-x-ray response of dissipative quantum many-body systems. It is shown how x-ray absorption and resonant inelastic x-ray scattering (RIXS) at transition-metal L edges can provide insight into ultrafast intersystem crossings of importance for energy conversion, ultrafast magnetism, and catalysis. The photoinduced doublet-to-quartet spin crossover on cobalt in Fe-Co Prussian blue analogs is used as a model system to demonstrate how the x-ray response is affected by the nonequilibrium dynamics on a femtosecond time scale. Changes in local spin and symmetry and the underlying mechanism are reflected in strong broadenings, a collapse of clear selection rules during the intersystem crossing, fluctuations in the isotropic branching ratio in x-ray absorption, crystal-field collapse and/or oscillations, and time-dependent anti-Stokes processes in RIXS.

New insight into $nd\\rightarrow$ $^3H\\gamma$ process at thermal energy with pionless effective field theory

OpenAIRE

Arani, M. Moeini; Nematollahi, H.; Mahboubi, N.; Bayegan, S.

2014-01-01

We take a new look at the neutron radiative capture by a deuteron at thermal energy with the pionless effective field theory (EFT($\\pi\\!\\!\\!/$)) approach. We present in detail the calculation of $nd\\rightarrow$ $^3H\\gamma$ amplitudes for incoming doublet and quartet channels leading to the formation of a triton fully in the projection method based on the cluster-configuration space approach. In the present work, we consider all possible one-body and two-body photon interaction diagrams. In fa...

Department of the Navy Supporting Data for Fiscal Year 1984 Budget Estimates Descriptive Summaries Submitted to Congress January 1983. Research, Development, Test and Evaluation, Navy. Book 2. Tactical Programs

Science.gov (United States)

1983-01-01

Production Releass for the Army, OPv and At, Force is in ty 1991. Production of 602 uitcrcft for the Marine Corps and May) will be completed :n tY 1998 ...Fy 1965 3. Operational Test and Evaluation (USKO) Secoad Quartet FY 1998 4. First USEC delivery Third Quarter FY 1991 5. USA/USAF/USN Delivery First...vehicular mounted loler power unite. (U) Project C0075. Tactical Mot Tranprt Vehicles: This program is to provide the optimum mix of tactical motor

EPR and Bell's theorem: A critical review

International Nuclear Information System (INIS)

Stapp, H.P.

1991-01-01

The argument of Einstein, Podolsky, and Rosen is reviewed with attention to logical structure and character of assumptions. Bohr's reply is discussed. Bell's contribution is formulated without use of hidden variables, and efforts to equate hidden variables to realism are critically examined. An alternative derivation of nonlocality that makes no use of hidden variables, microrealism, counterfactual definiteness, or any other assumption alien to orthodox quantum thinking is described in detail, with particular attention to the quartet or broken-square question

Regulating with imagery and the complexity of basic emotions. Comment on "The quartet theory of human emotions: An integrative and neurofunctional model" by S. Koelsch et al.

Science.gov (United States)

Meyer, Marcel; Kuchinke, Lars

2015-06-01

Literature, music and the arts have long attested to the complexity of human emotions. Hitherto, psychological and biological theories of emotions have largely neglected this rich heritage. In their review Koelsch and colleagues [1] have embarked upon the pioneering endeavour of integrating the diverse perspectives in emotion research. Noting that the focus of prior neurobiological theories relies mainly on animal studies, the authors sought to complement this body of research with a model of complex ("moral") emotions in humans (henceforth: complex emotions). According to this novel framework, there are four main interacting affective centres in the brain. Each centre is associated with a dominant affective function, such as ascending activation (brainstem), pain/pleasure (diencephalon), attachment-related affects (hippocampus) or moral emotions and unconscious cognitive appraisal (orbitofrontal cortex). Furthermore, language is ascribed a key role in (a) the communication of subjective feeling (reconfiguration) and (b) in the conscious regulation of emotions (by means of logic and rational thought).

Radiative association of He-2(+): the role of quartet states

Czech Academy of Sciences Publication Activity Database

Augustovičová, Lucie; Špirko, Vladimír; Kraemer, W. P.; Soldán, P.

2013-01-01

Roč. 435, č. 2 (2013), s. 1541-1546 ISSN 0035-8711 R&D Projects: GA ČR GAP208/11/0436 Institutional support: RVO:61388963 Keywords : atomic data * atomic processes * molecular data * molecular processes Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 5.226, year: 2013

The Fragile X Mental Retardation Protein, FMRP, Recognizes G-Quartets

Science.gov (United States)

Darnell, Jennifer C.; Warren, Stephen T.; Darnell, Robert B.

2004-01-01

Fragile X mental retardation is a disease caused by the loss of function of a single RNA-binding protein, FMRP. Identifying the RNA targets recognized by FMRP is likely to reveal much about its functions in controlling some aspects of memory and behavior. Recent evidence suggests that one of the predominant RNA motifs recognized by the FMRP…

Quartet: On the Theme of to Portray is to Betray

Directory of Open Access Journals (Sweden)

Paul Magee

2013-09-01

Full Text Available Art does not deceive its readers with an illusion of reality, as the common-sense notion has it, but rather pretends to deceive them. For the communicative power of the work of art lies precisely in the fact that we recognise its artificiality, its status as a work within a given genre, following certain conventions, set in a particular frame. What the work really points to, beyond the page, is the existence and actions of a creative consciousness, as that consciousness works through a given set of symbols to express itself. For reading is all about experiencing another’s mind. In the lack. Which makes it a matter of desire. My purpose in the following is to use literature to crack open the everyday, to write about neurosis and psychosis, how they write their way into the real world around us, the dinner table, this novel, a Greek tragedy, I mean Oedipus complex.

The Haunted Inkbottle: Problems of Artistic Communication in Modernism

Science.gov (United States)

1989-07-07

to the stage, collapsed and closed after only five performances in May of 1977. In the midst of this, two revisions of R had failed, one in Vienna in...restore the waste land and make its inhabitants fruitful again." 25 F. R . Leavis explains that "in ’What the Thunder Said’ the drought becomes (among...him bedridden for most of the first three months of 1941, Eliot had conceived by this time a vision of a quartet of poems, each pointing to a

Aesthetic emotions to art - What they are and what makes them special. Comment on "The quartet theory of human emotions: An integrative and neurofunctional model" by S. Koelsch et al.

Science.gov (United States)

Leder, Helmut; Markey, Patrick S.; Pelowski, Matthew

2015-06-01

Establishing a functional understanding of emotional processes is crucial for profound insight into human cognition and behavior [6]. The study of human interactions with art provides an excellent window into the complex emotional reactions that can be had with the environment. Recent advances in the empirical study of art reception have given rise to new models [8,9], and a growing interest in aesthetic affect and emotion.

In vivo dynamic turnover of cerebral 13C isotopomers from [U- 13C]glucose

Science.gov (United States)

Xu, Su; Shen, Jun

2006-10-01

An INEPT-based 13C MRS method and a cost-effective and widely available 11.7 Tesla 89-mm bore vertical magnet were used to detect dynamic 13C isotopomer turnover from intravenously infused [U- 13C]glucose in a 211 μL voxel located in the adult rat brain. The INEPT-based 1H → 13C polarization transfer method is mostly adiabatic and therefore minimizes signal loss due to B 1 inhomogeneity of the surface coils used. High quality and reproducible data were acquired as a result of combined use of outer volume suppression, ISIS, and the single-shot three-dimensional localization scheme built in the INEPT pulse sequence. Isotopomer patterns of both glutamate C4 at 34.00 ppm and glutamine C4 at 31.38 ppm are dominated first by a doublet originated from labeling at C4 and C5 but not at C3 (with 1JC4C5 = 51 Hz) and then by a quartet originated from labeling at C3, C4, and C5 (with 1JC3C4 = 35 Hz). A lag in the transition of glutamine C4 pattern from doublet-dominance to quartet dominance as compared to glutamate C4 was observed, which provides an independent verification of the precursor-product relationship between neuronal glutamate and glial glutamine and a significant intercompartmental cerebral glutamate-glutamine cycle between neurons and glial cells.

BeII** revisited

International Nuclear Information System (INIS)

Fischer, C.F.

1982-01-01

Doubly excited 1s2snl and 1s2pnl quartet states of BeII** are readily populated in beam-foil experiments and line-rich spectra have been obtained covering 600 to 5500 A wavelength range. In spite of several theoretical calculations a substantial number of observed lines have not been identified. The quartet system in BeII is an intersting one from a theoretical point of view. Three electron systems are simple enough that a fairly high level of accuracy is attainable without the calculations becoming horrendous. The important correlation effects are between the outer two electrons and, to a good approximation, the three-electrons system may be treated as a two-electron system outside a 1s-core. The multi-configuration Hartree-Fock (MCHF) method has been used successfully in a number of studies. Programs are under development that take into account the non-orthogonality of orbitals in the initial and final state, and allow for some non-orthogonal orbitals in a wavefunction expansion. LS dependent relativistic effects are also included. A study of BeII** was undertaken to evaluate the MCHF techniques being developed and to assit in the identification of observed lines. Most of the earlier calculations concentrated on the lower-lying levels. In this work particular attention was given to the more highly-excited states, though calculations for lower-lying states had to be repeated in order to predict life-times

A tutorial on the principles of harmonic intonation for trombonists

Science.gov (United States)

Keener, Michael Kenneth

A Tutorial on the Principles of Harmonic Intonation for Trombonists includes a manual containing background information, explanations of the principles of harmonic intonation, and printed musical examples for use in learning and practicing the concepts of harmonic intonation. An audio compact disk containing music files corresponding to the printed music completes the set. This tutorial is designed to allow performing musicians and students to practice intonation skills with the pitch-controlled music on the compact disc. The music on the CD was recorded in movable-comma just intonation, replicating performance parameters of wind, string, and vocal ensembles. The compact disc includes sixty tracks of ear-training exercises and interval studies with which to practice intonation perception and adjustment. Tuning notes and examples of equal-tempered intervals and just intervals are included on the CD. The intonation exercises consist of musical major scales, duets, trios, and quartet phrases to be referenced while playing the printed music. The CD tracks allow the performer to play scales in unison (or practice other harmonic intervals) or the missing part of the corresponding duet, trio, or quartet exercise. Instructions in the manual guide the user through a process that can help prepare musicians for more accurate musical ensemble performance. The contextual essay that accompanies the tutorial includes a description of the tutorial, a review of related literature, methodology of construction of the tutorial, evaluations and outcomes, conclusions and recommendations for further research, and a selected bibliography.

Arene ruthenium(II) azido complexes incorporating N intersection O chelate ligands: Synthesis, spectral studies and 1,3-dipolar-cycloaddition to a coordinated azide in ruthenium(II) compounds

Digital Repository Service at National Institute of Oceanography (India)

Singh, K.S.; Kaminsky, W.

showed a slightly different spectra pattern for p- cymene ligand as compared to the rest of the complexes. For instant, the complex 1 exhibits two doublets for diastereotopic methyl protons of the isopropyl group at around δ 1.12-0.99 (Fig. 1). Likewise... formed are exclusively N(2) bound isomer which is supported by their NMR spectral data. For instant, the proton NMR spectrum of 8 displayed a, singlet at δ 3.75 assignable to the protons of a methoxy carbonyl group while for complex 9 a quartet...

Concert Club

CERN Document Server

Concert Club

2010-01-01

CERN MEYRIN (terminus bus 56-CERN) entrée B - bâtiment 500 - amphithéâtre Mardi 9 Février 2010 à 20 h 30 ”La fontaine aux larmes” Les pays de l’est et le choeur féminin Ensemble vocal féminin Polhymnia Célia Perrard, harpe Camille Girod, flûte Christophe Sturzenegger, piano Quartet Elixir Eléonore Giroud, violon Delphine Touzery, violon Priscille Oehninger, alto Elsa Dorbath, violoncelle Direction : Franck Marcon Au programme : Kodaly – Bartok – Donceanu - Janacek Francesco Hoch (création) ...

Protoneutron star formation with delta-resonance matter and trapped neutrinos

International Nuclear Information System (INIS)

Oliveira, Jose Carlos Teixeira de; Souza, Ana Graice de; Duarte, Sergio Barbosa; Rodrigues, Hilario

2009-01-01

Full text: We discuss the proto-neutron star structure including delta-matter in its composition, and comparing the result with the same mass post-cooling compact object formed. The maximum mass values and corresponding configurations to pre and post-cooling situation are calculated and discussed face to variations in the coupling constants of delta-resonance with the mesons sigma, omega and rho in the context of the Relativistic Mean Field Theory (RMFT). The complete spin-1/2 sector is included solved consistently with the presence of the 3/2-spin delta-resonance quartet. (author)

Borges' ‘late style’: literature, memory and time

Directory of Open Access Journals (Sweden)

Adriana Mancini

2017-12-01

Full Text Available Using the concept of ‘late style’ established by Adorno (1993 in his analysis of the last quartets of Beethoven and adopted up by Said (2006, we consider the mature Borges’s essays on time and immortality and his exploration of the themes of The Double and insomnia in his fictional works Stories of the Book of Sand and poem The Cipher. We analyse some key characteristics of Borges’s style – coincidences and dissidences – and compare them to those proposed by Adorno for artistic production in later years.

ESR evidence of octahedral site occupation in ScH/sub x/:Er

International Nuclear Information System (INIS)

Venturini, E.L.

1978-01-01

The Er 3+ electron spin resonance spectrum at low temperatures in powdered Sc 9988 Er 0012 H 1 91 contains a GAMMA 7 doublet and associated hyperfine components with cubic site symmetry plus four additinal resonances arising from two distinct transitions with axial site symmetry. The axial lines are attributed to octahedral site occupation by protons in the vicinity of some Er 3+ impurities. The two axial transitions may be associated with two different types of distortions of the GAMMA 7 wave functions or possibly a GAMMA 8 1 quartet state

Journal of the Faculty of Engieering, the University of Tokyo, Series B, Vol. 43, No. 1, March 1995

Energy Technology Data Exchange (ETDEWEB)

NONE

1995-03-01

;Table of Contents: China`s Development Doctrine and Management under Reform - An Empirical Evaluation of Rural Settlement Development Projects in the Eastern Chain; Pattern Dynamics. Marcodynamical Approach to Nonlinear Problems Including Life, Mind, Thoughts, etc. Part IV. Quartet and Sextet Logic as Guiding Principles to Creation Technology Connected with Life; Development of A New Criticality Accident Alarm System Using PIN-Photodiode; Emergence of Cross Axial Composition: Relation between the House and Garden in the Traditional Japanese Houses; Shock Reactive Processing for Direct Synthesis of Refractory Metal Aluminides from Elemental Powders.

Electron impact excitation of the lowest doublet and quartet core-excited autoionizing states in Rb atoms

International Nuclear Information System (INIS)

Borovik, A; Roman, V; Zatsarinny, O; Bartschat, K

2013-01-01

Electron impact excitation of the (4p 5 5s 2 ) 2 P 3/2,1/2 and (4p 5 4d5s) 4 P 1/2,3/2,5/2 autoionizing states in rubidium atoms was studied experimentally by measuring the ejected-electron excitation functions and theoretically by employing a fully relativistic Dirac B-spline R-matrix (close-coupling) model. The experimental data were collected in an impact energy range from the respective excitation thresholds up to 50 eV with an incident electron energy resolution of 0.2 eV and an observation angle of 54.7°. Absolute values of the excitation cross sections were obtained by normalizing to the theoretical predictions. The observed near-threshold resonance structures were also analysed by comparison with theory. For the 2 P 3/2,1/2 doublet states, a detailed analysis of the R-matrix results reveals that the most intense resonances are related to odd-parity negative-ion states with dominant configurations 4p 5 5s5p 2 and 4p 5 4d5s6s. The measured excitation functions for the 2 P 1/2 and 4 P J states indicate a noticeable cascade population due to the radiative decay from high-lying autoionizing states. A comparative analysis with similar data for other alkali atoms is also presented.

Unexpected Position-Dependent Effects of Ribose G-Quartets in G-Quadruplexes

Czech Academy of Sciences Publication Activity Database

Zhou, J.; Amrane, S.; Rosu, F.; Salgado, G.; Bian, Y.; Tateishi-Karimata, H.; Largy, E.; Korkut, D. N.; Bourdoncle, A.; Miyoshi, D.; Zhang, J.; Ju, H.; Wang, W.; Sugimoto, N.; Gabelica, V.; Mergny, Jean-Louis

2017-01-01

Roč. 139, č. 23 (2017), s. 7768-7779 ISSN 0002-7863 Institutional support: RVO:68081707 Keywords : human telomeric rna * electrospray mass-spectrometry * molecular crowding conditions * dna g-quadruplexes Subject RIV: BO - Biophysics OBOR OECD: Electrochemistry (dry cells, batteries, fuel cells, corrosion metals, electrolysis) Impact factor: 13.858, year: 2016

Hα Velocity Fields and Galaxy Interaction in the Quartet of Galaxies ...

Indian Academy of Sciences (India)

2015-10-07

Oct 7, 2015 ... The long bar (21 kpc) of NGC 7771 also stands out. ... arm-class 4 according to scheme in Elmegreen & Elmegreen (1987): one remarkable ... a FWHM of 10.3 Å. General data reduction, night sky lines and stellar continuum.

The low-lying electronic states of BeP: a reliable and accurate quantum mechanical prediction

International Nuclear Information System (INIS)

Ornellas, Fernando R

2009-01-01

A very high level of theoretical treatment (complete active space self-consistent field CASSCF/MRCI/aug-cc-pV5Z) was used to characterize the spectroscopic properties of a manifold of quartet and doublet states of the species BeP, as yet experimentally unknown. Potential energy curves for 11 electronic states were obtained, as well as the associated vibrational energy levels, and a whole set of spectroscopic constants. Dipole moment functions and vibrationally averaged dipole moments were also evaluated. Similarities and differences between BeN and BeP were analysed along with the isovalent SiB species. The molecule BeP has a X 4 Σ - ground state, with an equilibrium bond distance of 2.073 A, and a harmonic frequency of 516.2 cm -1 ; it is followed closely by the states 2 Π (R e = 2.081 A, ω e = 639.6 cm -1 ) and 2 Σ - (R e = 2.074 A, ω e = 536.5 cm -1 ), at 502 and 1976 cm -1 , respectively. The other quartets investigated, A 4 Π (R e = 1.991 A, ω e = 555.3 cm -1 ) and B 4 Σ - (R e = 2.758 A, ω e = 292.2 cm -1 ) lie at 13 291 and 24 394 cm -1 , respectively. The remaining doublets ( 2 Δ, 2 Σ + (2) and 2 Π(3)) all fall below 28 000 cm -1 . Avoided crossings between the 2 Σ + states and between the 2 Π states add an extra complexity to this manifold of states.

Vacuum ultraviolet spectra from highly ionized oxygen

International Nuclear Information System (INIS)

Sjoedin, R.; Pihl, J.; Hallin, R.; Lindskog, J.; Marelius, A.; Sharma, K.

1976-03-01

Transitions in Li-like, He-like and H-like oxygen have been observed in the wavelength region 350-1150 A. A number of lines assigned as transitions in the doubly excited quartet system of O VI are reported. Lifetimes for the 4f 3 F term in O VII, 4f 2 F, 4d 2 D, 4p 2 P terms and for the 2s4f 4 F term in O VI have been measured to 13+-6 ps, 48+-3 ps, 29+-4 ps, 73+-8 ps and 47+-4 ps respectively. (Auth.)

An electron spin resonance study of radicals formed from tetrolic acid by radiolysis in a freon matrix

International Nuclear Information System (INIS)

Rhodes, C.J.

1989-01-01

In the present study, e.s.r. spectra have been observed following γ-irradiation of dilute frozen solutions of tetrolic acid, MeC≡CCO 2 H, in CFCl 3 at 77 K. A typical spectrum is shown which we interpret in terms of an isotropic quartet from the parent radical cation. MeC≡CCo 2 H +· , and an anisotropic triplet arising from the propargyl radical, ·CH 2 C≡CCO 2 H, formed by deprotonation of the parent cation. This appears to be the first example of an alkyne radical cation to be observed in a CFCl 3 matrix. (author)

La Suspensión del Tiempo

OpenAIRE

Campo Baeza, Alberto

2011-01-01

Burnt Norton es el primero de los FOUR QUARTETS, una de las obras clave de T.S. Elliot (1). En sus 6 primeras líneas utiliza hasta 7 veces la palabra tiempo con reiteración sorprendente. “El tiempo presente y el tiempo pasado / quizás ambos están contenidos / el presente en el tiempo futuro / y el tiempo futuro en el tiempo pasado. / Si todo el tiempo es eternamente presente / todo tiempo es recuperable.” Pues éste, el tiempo que los poetas tan bien expresan, es el tiempo que quiere atr...

What is reconfigured?. Comment on "The quartet theory of human emotions: An integrative and neurofunctional model" by S. Koelsch et al.

Science.gov (United States)

Engelen, Eva-Maria

2015-06-01

The research group around Koelsch presents a neurobiological emotion theory that is supposed to have the following plus factors: (1) Interdisciplinary approach towards understanding human emotions and their neural correlates, (2) concentration on human emotions, (3) interaction between language and emotion, (4) allows research on short-term emotional phenomena and takes long-term emotional phenomena into account, as well as the differences of the neural correlates underlying short-term and long-term emotions [5]. This is a very ambitious program. My comment will focus on (3) and (4).

Hypothesis: A Role for Fragile X Mental Retardation Protein in Mediating and Relieving MicroRNA-Guided Translational Repression?

Directory of Open Access Journals (Sweden)

Isabelle Plante

2006-01-01

Full Text Available MicroRNA (miRNA-guided messenger RNA (mRNA translational repression is believed to be mediated by effector miRNA-containing ribonucleoprotein (miRNP complexes harboring fragile X mental retardation protein (FMRP. Recent studies documented the nucleic acid chaperone properties of FMRP and characterized its role and importance in RNA silencing in mammalian cells. We propose a model in which FMRP could facilitate miRNA assembly on target mRNAs in a process involving recognition of G quartet structures. Functioning within a duplex miRNP, FMRP may also mediate mRNA targeting through a strand exchange mechanism, in which the miRNA* of the duplex is swapped for the mRNA. Furthermore, FMRP may contribute to the relief of miRNA-guided mRNA repression through a reverse strand exchange reaction, possibly initiated by a specific cellular signal, that would liberate the mRNA for translation. Suboptimal utilization of miRNAs may thus account for some of themolecular defects in patients with the fragile X syndrome.

The electronic structure of vanadium monochloride cation (VCl+): Tackling the complexities of transition metal species

Science.gov (United States)

DeYonker, Nathan J.; Halfen, DeWayne T.; Allen, Wesley D.; Ziurys, Lucy M.

2014-11-01

Six electronic states (X 4Σ-, A 4Π, B 4Δ, 2Φ, 2Δ, 2Σ+) of the vanadium monochloride cation (VCl+) are described using large basis set coupled cluster theory. For the two lowest quartet states (X 4Σ- and A 4Π), a focal point analysis (FPA) approach was used that conjoined a correlation-consistent family of basis sets up to aug-cc-pwCV5Z-DK with high-order coupled cluster theory through pentuple (CCSDTQP) excitations. FPA adiabatic excitation energies (T0) and spectroscopic constants (re, r0, Be, B0, bar De, He, ωe, v0, αe, ωexe) were extrapolated to the valence complete basis set Douglas-Kroll (DK) aug-cc-pV∞Z-DK CCSDT level of theory, and additional treatments accounted for higher-order valence electron correlation, core correlation, and spin-orbit coupling. Due to the delicate interplay between dynamical and static electronic correlation, single reference coupled cluster theory is able to provide the correct ground electronic state (X 4Σ-), while multireference configuration interaction theory cannot. Perturbations from the first- and second-order spin orbit coupling of low-lying states with quartet spin multiplicity reveal an immensely complex rotational spectrum relative to the isovalent species VO, VS, and TiCl. Computational data on the doublet manifold suggest that the lowest-lying doublet state (2Γ) has a Te of ˜11 200 cm-1. Overall, this study shows that laboratory and theoretical rotational spectroscopists must work more closely in tandem to better understand the bonding and structure of molecules containing transition metals.

He2+ molecular ion and the He- atomic ion in strong magnetic fields

Science.gov (United States)

Vieyra, J. C. Lopez; Turbiner, A. V.

2017-08-01

We study the question of existence, i.e., stability with respect to dissociation of the spin-quartet permutation- and reflection-symmetric 4(-3) +g (Sz=-3 /2 ,M =-3 ) state of the (α α e e e ) Coulomb system: the He2 + molecular ion, placed in a magnetic field 0 ≤B ≤10 000 a.u. We assume that the α particles are infinitely massive (Born-Oppenheimer approximation of zero order) and adopt the parallel configuration, when the molecular axis and the magnetic field direction coincide, as the optimal configuration. The study of the stability is performed variationally with a physically adequate trial function. To achieve this goal, we explore several helium-containing compounds in strong magnetic fields, in particular; we study the spin-quartet ground state of the He- ion and the ground (spin-triplet) state of the helium atom, both for a magnetic field in 100 ≤B ≤10 000 a.u. The main result is that the He2 + molecular ion in the state 4(-3) +g is stable towards all possible decay modes for magnetic fields B ≳120 a .u . and with the magnetic field increase the ion becomes more tightly bound and compact with a cigar-type form of electronic cloud. At B =1000 a .u . , the dissociation energy of He2 + into He-+α is ˜702 eV and the dissociation energy for the decay channel to He +α +e is ˜729 eV , and both energies are in the energy window for one of the observed absorption features of the isolated neutron star 1E1207.4-5209.

Signals of historical interlocus gene conversion in human segmental duplications.

Directory of Open Access Journals (Sweden)

Beth L Dumont

Full Text Available Standard methods of DNA sequence analysis assume that sequences evolve independently, yet this assumption may not be appropriate for segmental duplications that exchange variants via interlocus gene conversion (IGC. Here, we use high quality multiple sequence alignments from well-annotated segmental duplications to systematically identify IGC signals in the human reference genome. Our analysis combines two complementary methods: (i a paralog quartet method that uses DNA sequence simulations to identify a statistical excess of sites consistent with inter-paralog exchange, and (ii the alignment-based method implemented in the GENECONV program. One-quarter (25.4% of the paralog families in our analysis harbor clear IGC signals by the quartet approach. Using GENECONV, we identify 1477 gene conversion tracks that cumulatively span 1.54 Mb of the genome. Our analyses confirm the previously reported high rates of IGC in subtelomeric regions and Y-chromosome palindromes, and identify multiple novel IGC hotspots, including the pregnancy specific glycoproteins and the neuroblastoma breakpoint gene families. Although the duplication history of a paralog family is described by a single tree, we show that IGC has introduced incredible site-to-site variation in the evolutionary relationships among paralogs in the human genome. Our findings indicate that IGC has left significant footprints in patterns of sequence diversity across segmental duplications in the human genome, out-pacing the contributions of single base mutation by orders of magnitude. Collectively, the IGC signals we report comprise a catalog that will provide a critical reference for interpreting observed patterns of DNA sequence variation across duplicated genomic regions, including targets of recent adaptive evolution in humans.

Natural radium and radon tracers to quantify water exchange and movement in reservoirs

Science.gov (United States)

Smith, Christopher G.; Baskaran, Mark

2011-01-01

Radon and radium isotopes are routinely used to quantify exchange rates between different hydrologic reservoirs. Since their recognition as oceanic tracers in the 1960s, both radon and radium have been used to examine processes such as air-sea exchange, deep oceanic mixing, benthic inputs, and many others. Recently, the application of radon-222 and the radium-quartet (223,224,226,228Ra) as coastal tracers has seen a revelation with the growing interest in coastal groundwater dynamics. The enrichment of these isotopes in benthic fluids including groundwater makes both radium and radon ideal tracers of coastal benthic processes (e.g. submarine groundwater discharge). In this chapter we review traditional and recent advances in the application of radon and radium isotopes to understand mixing and exchange between various hydrologic reservoirs, specifically: (1) atmosphere and ocean, (2) deep and shallow oceanic water masses, (3) coastal groundwater/benthic pore waters and surface ocean, and (4) aquifer-lakes. While the isotopes themselves and their distribution in the environment provide qualitative information about the exchange processes, it is mixing/exchange and transport models for these isotopes that provide specific quantitative information about these processes. Brief introductions of these models and mixing parameters are provided for both historical and more recent studies.

Uranium isotope separation by magnetic field gradient and visible light acting in a liquid medium

International Nuclear Information System (INIS)

Borges, O.N.

1985-01-01

The literature shows that excited uranyl can assume the ''singlet'' and ''triplet'' states, with different magnetic properties. In an aqueous medium, without organic complexity (to hamper dismutation), the action of light reduces uranyl to U(V), which is a radical -ion that can assume the ''doublet'' and ''quartet'' states, also with different magnetic properties. Due to the different constants of velocity of uranium 235 and 238 in the reduction of excited uranyl and in the oxidation of U(V) to UO 2 2+ , there is the probability of forming an isotopic gradient, in the aqueous solution, subjected to a magnetic field gradient, with consequent appropriate extraction. 6 refs

Synthesis, characterization, structure and properties of heterobimetallic complexes [CuNi(μ-OAc) (μ-OH) (μ-OH2) (bpy)2] (BF4)2 and [CuNi(bz)3(bpy)2] ClO4 from 2,2‧ bipyridine

Science.gov (United States)

Kurbah, Sunshine D.; Kumar, A.; Syiemlieh, I.; Dey, A. K.; Lal, R. A.

2018-02-01

Heterobimetallic complexes of the composition [CuNi(bpy)2 (μ-OAc) (μ-OH) (μ-OH2)](BF4)2 (1) and [CuNi(bz)3 (bpy)2]ClO4 (2) were synthesized in moderate yield through solid state reaction and have been characterized by elemental analyses, molar conductance, mass spectra, magnetic moment, EPR, UV-Vis, IR spectroscopies and cyclic voltammetry. The ground state in complex (1) is doublet while that in complex (2), the ground state is a mixture of doublet and quartet, respectively. The structure of the complexes has been established by X-ray crystallography. The electron transfer reactions of the complexes have been investigated by cyclic voltammetry.

The electronic structure of vanadium monochloride cation (VCl{sup +}): Tackling the complexities of transition metal species

Energy Technology Data Exchange (ETDEWEB)

DeYonker, Nathan J., E-mail: ndyonker@memphis.edu [Department of Chemistry, The University of Memphis, Memphis, Tennessee 38152 (United States); Halfen, DeWayne T.; Ziurys, Lucy M. [Department of Chemistry, Department of Astronomy, Arizona Radio Observatory, and Steward Observatory, University of Arizona, Tucson, Arizona 85721 (United States); Allen, Wesley D. [Department of Chemistry and Center for Computational Chemistry, University of Georgia, Athens, Georgia 30602 (United States)

2014-11-28

Six electronic states (X {sup 4}Σ{sup −}, A {sup 4}Π, B {sup 4}Δ, {sup 2}Φ, {sup 2}Δ, {sup 2}Σ{sup +}) of the vanadium monochloride cation (VCl{sup +}) are described using large basis set coupled cluster theory. For the two lowest quartet states (X {sup 4}Σ{sup −} and A {sup 4}Π), a focal point analysis (FPA) approach was used that conjoined a correlation-consistent family of basis sets up to aug-cc-pwCV5Z-DK with high-order coupled cluster theory through pentuple (CCSDTQP) excitations. FPA adiabatic excitation energies (T{sub 0}) and spectroscopic constants (r{sub e}, r{sub 0}, B{sub e}, B{sub 0}, D{sup ¯}{sub e}, H{sub e}, ω{sub e}, v{sub 0}, α{sub e}, ω{sub e}x{sub e}) were extrapolated to the valence complete basis set Douglas-Kroll (DK) aug-cc-pV∞Z-DK CCSDT level of theory, and additional treatments accounted for higher-order valence electron correlation, core correlation, and spin-orbit coupling. Due to the delicate interplay between dynamical and static electronic correlation, single reference coupled cluster theory is able to provide the correct ground electronic state (X {sup 4}Σ{sup −}), while multireference configuration interaction theory cannot. Perturbations from the first- and second-order spin orbit coupling of low-lying states with quartet spin multiplicity reveal an immensely complex rotational spectrum relative to the isovalent species VO, VS, and TiCl. Computational data on the doublet manifold suggest that the lowest-lying doublet state ({sup 2}Γ) has a T{sub e} of ∼11 200 cm{sup −1}. Overall, this study shows that laboratory and theoretical rotational spectroscopists must work more closely in tandem to better understand the bonding and structure of molecules containing transition metals.

Paternal Age Explains a Major Portion of De Novo Germline Mutation Rate Variability in Healthy Individuals.

Directory of Open Access Journals (Sweden)

Simon L Girard

Full Text Available De novo mutations (DNM are an important source of rare variants and are increasingly being linked to the development of many diseases. Recently, the paternal age effect has been the focus of a number of studies that attempt to explain the observation that increasing paternal age increases the risk for a number of diseases. Using disease-free familial quartets we show that there is a strong positive correlation between paternal age and germline DNM in healthy subjects. We also observed that germline CNVs do not follow the same trend, suggesting a different mechanism. Finally, we observed that DNM were not evenly distributed across the genome, which adds support to the existence of DNM hotspots.

The isobaric multiplet mass equation for A≤71 revisited

Energy Technology Data Exchange (ETDEWEB)

Lam, Yi Hua, E-mail: lamyihua@gmail.com [CENBG (UMR 5797 — Université Bordeaux 1 — CNRS/IN2P3), Chemin du Solarium, Le Haut Vigneau, BP 120, 33175 Gradignan Cedex (France); Blank, Bertram, E-mail: blank@cenbg.in2p3.fr [CENBG (UMR 5797 — Université Bordeaux 1 — CNRS/IN2P3), Chemin du Solarium, Le Haut Vigneau, BP 120, 33175 Gradignan Cedex (France); Smirnova, Nadezda A. [CENBG (UMR 5797 — Université Bordeaux 1 — CNRS/IN2P3), Chemin du Solarium, Le Haut Vigneau, BP 120, 33175 Gradignan Cedex (France); Bueb, Jean Bernard; Antony, Maria Susai [IPHC, Université de Strasbourg, CNRS/UMR7178, 23 Rue du Loess, 67037 Strasbourg Cedex (France)

2013-11-15

Accurate mass determination of short-lived nuclides by Penning-trap spectrometers and progress in the spectroscopy of proton-rich nuclei have triggered renewed interest in the isobaric multiplet mass equation (IMME). The energy levels of the members of T=1/2,1,3/2, and 2 multiplets and the coefficients of the IMME are tabulated for A≤71. The new compilation is based on the most recent mass evaluation (AME2011) and it includes the experimental results on energies of the states evaluated up to end of 2011. Taking into account the error bars, a significant deviation from the quadratic form of the IMME for the A=9,35 quartets and the A=32 quintet is observed.

Optical studies of multiply excited states

International Nuclear Information System (INIS)

Mannervik, S.

1989-01-01

Optical studies of multiply-excited states are reviewed with emphasis on emission spectroscopy. From optical measurements, properties such as excitation energies, lifetimes and autoionization widths can be determined with high accuracy, which constitutes a challenge for modern computational methods. This article mainly covers work on two-, three- and four-electron systems, but also sodium-like quartet systems. Furthermore, some comments are given on bound multiply-excited states in negative ions. Fine structure effects on transition wavelengths and lifetimes (autoionization) are discussed. In particular, the most recent experimental and theoretical studies of multiply-excited states are covered. Some remaining problems, which require further attention, are discussed in more detail. (orig.) With 228 refs

Fourier transform inequalities for phylogenetic trees.

Science.gov (United States)

Matsen, Frederick A

2009-01-01

Phylogenetic invariants are not the only constraints on site-pattern frequency vectors for phylogenetic trees. A mutation matrix, by its definition, is the exponential of a matrix with non-negative off-diagonal entries; this positivity requirement implies non-trivial constraints on the site-pattern frequency vectors. We call these additional constraints "edge-parameter inequalities". In this paper, we first motivate the edge-parameter inequalities by considering a pathological site-pattern frequency vector corresponding to a quartet tree with a negative internal edge. This site-pattern frequency vector nevertheless satisfies all of the constraints described up to now in the literature. We next describe two complete sets of edge-parameter inequalities for the group-based models; these constraints are square-free monomial inequalities in the Fourier transformed coordinates. These inequalities, along with the phylogenetic invariants, form a complete description of the set of site-pattern frequency vectors corresponding to bona fide trees. Said in mathematical language, this paper explicitly presents two finite lists of inequalities in Fourier coordinates of the form "monomial < or = 1", each list characterizing the phylogenetically relevant semialgebraic subsets of the phylogenetic varieties.

An assessment of pure, hybrid, meta, and hybrid-meta GGA density functional theory methods for open-shell systems: the case of the nonheme iron enzyme 8R-LOX.

Science.gov (United States)

Bushnell, Eric A C; Gauld, James W

2013-01-15

The performance of a range density functional theory functionals combined in a quantum mechanical (QM)/molecular mechanical (MM) approach was investigated in their ability to reliably provide geometries, electronic distributions, and relative energies of a multicentered open-shell mechanistic intermediate in the mechanism 8R-Lipoxygenase. With the use of large QM/MM active site chemical models, the smallest average differences in geometries between the catalytically relevant quartet and sextet complexes were obtained with the B3LYP(*) functional. Moreover, in the case of the relative energies between (4) II and (6) II, the use of the B3LYP(*) functional provided a difference of 0.0 kcal mol(-1). However, B3LYP(±) and B3LYP also predicted differences in energies of less than 1 kcal mol(-1). In the case of describing the electronic distribution (i.e., spin density), the B3LYP(*), B3LYP, or M06-L functionals appeared to be the most suitable. Overall, the results obtained suggest that for systems with multiple centers having unpaired electrons, the B3LYP(*) appears most well rounded to provide reliable geometries, electronic structures, and relative energies. Copyright © 2012 Wiley Periodicals, Inc.

A Study on the Mechanical Properties of the Representative Volume Element in Fractal Porous Media

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Jianjun Liu

2017-01-01

Full Text Available Natural porous structure is extremely complex, and it is of great significance to study the macroscopic mechanical response of the representative volume element (RVE with the microstructure of porous media. The real porous media RVE is generated by an improved quartet structure generation set (QSGS, and the connectivity of the reconstructed porous media models is analyzed. The fractal dimension of the RVE is calculated by the box-counting method, which considers the different porosity, different fractal dimension, and different mechanical properties of the matrix. Thus, the stress-strain curves of the RVE in the elastoplastic stage under different conditions are obtained. The results show that when the matrix mechanics are consistent, the mechanical properties of the porous media RVE are negatively correlated with the porosity and fractal dimension; when the difference between the porosity and fractal dimension increases, the trend is more obvious. The mechanical properties of the RVE have a positive correlation with the modulus of elasticity of the matrix, though the correlation with Poisson’s ratio of the matrix is weak. The fractal dimension of complex porous media can better predict the RVE mechanical characteristics than the porosity.

Lattice Boltzmann simulation of the gas-solid adsorption process in reconstructed random porous media

Science.gov (United States)

Zhou, L.; Qu, Z. G.; Ding, T.; Miao, J. Y.

2016-04-01

The gas-solid adsorption process in reconstructed random porous media is numerically studied with the lattice Boltzmann (LB) method at the pore scale with consideration of interparticle, interfacial, and intraparticle mass transfer performances. Adsorbent structures are reconstructed in two dimensions by employing the quartet structure generation set approach. To implement boundary conditions accurately, all the porous interfacial nodes are recognized and classified into 14 types using a proposed universal program called the boundary recognition and classification program. The multiple-relaxation-time LB model and single-relaxation-time LB model are adopted to simulate flow and mass transport, respectively. The interparticle, interfacial, and intraparticle mass transfer capacities are evaluated with the permeability factor and interparticle transfer coefficient, Langmuir adsorption kinetics, and the solid diffusion model, respectively. Adsorption processes are performed in two groups of adsorbent media with different porosities and particle sizes. External and internal mass transfer resistances govern the adsorption system. A large porosity leads to an early time for adsorption equilibrium because of the controlling factor of external resistance. External and internal resistances are dominant at small and large particle sizes, respectively. Particle size, under which the total resistance is minimum, ranges from 3 to 7 μm with the preset parameters. Pore-scale simulation clearly explains the effect of both external and internal mass transfer resistances. The present paper provides both theoretical and practical guidance for the design and optimization of adsorption systems.

Doped spin ladders under magnetic field; Echelles de spins dopees sous champ magnetique

Energy Technology Data Exchange (ETDEWEB)

Roux, G

2007-07-15

This thesis deals with the physics of doped two-leg ladders which are a quasi one-dimensional and unconventional superconductor. We particularly focus on the properties under magnetic field. Models for strongly correlated electrons on ladders are studied using exact diagonalization and density-matrix renormalization group (DMRG). Results are also enlightened by using the bosonization technique. Taking into account a ring exchange it highlights the relation between the pairing of holes and the spin gap. Its influence on the dynamics of the magnetic fluctuations is also tackled. Afterwards, these excitations are probed by the magnetic field by coupling it to the spin degree of freedom of the electrons through Zeeman effect. We show the existence of doping-dependent magnetization plateaus and also the presence of an inhomogeneous superconducting phase (FFLO phase) associated with an exceeding of the Pauli limit. When a flux passes through the ladder, the magnetic field couples to the charge degree of freedom of the electrons via orbital effect. The diamagnetic response of the doped ladder probes the commensurate phases of the t-J model at low J/t. Algebraic transverse current fluctuations are also found once the field is turned on. Lastly, we report numerical evidences of a molecular superfluid phase in the 3/2-spin attractive Hubbard model: at a density low enough, bound states of four fermions, called quartets, acquire dominant superfluid fluctuations. The observed competition between the superfluid and density fluctuations is connected to the physics of doped ladders. (author)

Doped spin ladders under magnetic field

International Nuclear Information System (INIS)

Roux, G.

2007-07-01

This thesis deals with the physics of doped two-leg ladders which are a quasi one-dimensional and unconventional superconductor. We particularly focus on the properties under magnetic field. Models for strongly correlated electrons on ladders are studied using exact diagonalization and density-matrix renormalization group (DMRG). Results are also enlightened by using the bosonization technique. Taking into account a ring exchange it highlights the relation between the pairing of holes and the spin gap. Its influence on the dynamics of the magnetic fluctuations is also tackled. Afterwards, these excitations are probed by the magnetic field by coupling it to the spin degree of freedom of the electrons through Zeeman effect. We show the existence of doping-dependent magnetization plateaus and also the presence of an inhomogeneous superconducting phase (FFLO phase) associated with an exceeding of the Pauli limit. When a flux passes through the ladder, the magnetic field couples to the charge degree of freedom of the electrons via orbital effect. The diamagnetic response of the doped ladder probes the commensurate phases of the t-J model at low J/t. Algebraic transverse current fluctuations are also found once the field is turned on. Lastly, we report numerical evidences of a molecular superfluid phase in the 3/2-spin attractive Hubbard model: at a density low enough, bound states of four fermions, called quartets, acquire dominant superfluid fluctuations. The observed competition between the superfluid and density fluctuations is connected to the physics of doped ladders. (author)

Sensitive criterion for chirality; Chiral doublet bands in 104Rh59

International Nuclear Information System (INIS)

Koike, T.; Starosta, K.; Vaman, C.; Ahn, T.; Fossan, D.B.; Clark, R.M.; Cromaz, M.; Lee, I.Y.; Macchiavelli, A.O.

2003-01-01

A particle plus triaxial rotor model was applied to odd-odd nuclei in the A ∼ 130 region in order to study the unique parity πh11/2xνh11/2 rotational bands. With maximum triaxiality assumed and the intermediate axis chosen as the quantization axis for the model calculations, the two lowest energy eigenstates of a given spin have chiral properties. The independence of the quantity S(I) on spin can be used as a new criterion for chirality. In addition, a diminishing staggering amplitude of S(I) with increasing spin implies triaxiality in neighboring odd-A nuclei. Chiral quartet bases were constructed specifically to examine electromagnetic properties for chiral structures. A set of selection rules unique to chirality was derived. Doublet bands built on the πg9/2xνh11/2 configuration have been discovered in odd-odd 104Rh using the 96Zr(11B, 3n) reaction. Based on the discussed criteria for chirality, it is concluded that the doublet bands observed in 104Rh exhibit characteristic chiral properties suggesting a new region of chirality around A ∼110. In addition, magnetic moment measurements have been performed to test the πh11/2xνh11/2 configuration in 128Cs and the πg9/2xνh11/2 configuration in 104Rh

Invariant differential operators and characters of the AdS4 algebra

International Nuclear Information System (INIS)

Dobrev, V K

2006-01-01

The aim of this paper is to apply systematically to AdS 4 some modern tools in the representation theory of Lie algebras which are easily generalized to the supersymmetric and quantum group settings and necessary for applications to string theory and integrable models. Here we introduce the necessary representations of the AdS 4 algebra and group. We give explicitly all singular (null) vectors of the reducible AdS 4 Verma modules. These are used to obtain the AdS 4 invariant differential operators. Using this we display a new structure-a diagram involving four partially equivalent reducible representations one of which contains all finite-dimensional irreps of the AdS 4 algebra. We study in more detail the cases involving UIRs, in particular, the Di and the Rac singletons, and the massless UIRs. In the massless case, we discover the structure of sets of 2s 0 - 1 conserved currents for each spin s 0 UIR, s 0 = 1, 3/2,.... All massless cases are contained in a one-parameter subfamily of the quartet diagrams mentioned above, the parameter being the spin s 0 . Further we give the classification of the so(5,C) irreps presented in a diagrammatic way which makes easy the derivation of all character formulae. The paper concludes with a speculation on the possible applications of the character formulae to integrable models

Blood Call and ‘Natural Flutters’: Xavier Herbert’s Racialised Quartet of Heteronormativity

Directory of Open Access Journals (Sweden)

Liz Conor

2017-11-01

Full Text Available National belonging for Xavier Herbert was intimately tied to interracial sexuality. ‘Euraustralians’ (‘half-castes’ were for Herbert a redemptive motif that could assuage the ‘awful loneliness of the colonial born’ by which he hinted at the land claim of settler-colonials as spurious. Herbert’s exposure of the spectrum of interracial sex—from companionate marriage to casual prostitution to endemic sexual assault—in his novels Capricornia (1938 and Poor Fellow My Country (1975 was unprecedented and potentially game-changing in the administration of Aboriginal women’s sexuality under the assimilation era. But his deeply fraught masculinity was expressed through a picaresque frontier manhood that expressed itself through this spectrum of relations with Aboriginal women. For all his radical assertions of a ‘Euraustralian’ or hybrid nation, Herbert was myopic and dismissive of the women attached to the ‘lean loins’ he hoped it would spring from. He was also vitriolic about the white women, including wives, who interfered with white men’s access to Aboriginal women’s bodies. In this article I examine how Herbert’s utopian racial destinies depended on the unexamined sexual contract of monogamy and the asymmetrical pact to which it consigned white men and white women, and the class of sexually available Indigenous women, or ‘black velvet’, it rested on in colonial scenarios of sex.

The Urlinie in Hindemith's String quartet op. 22, second movement / Timothy L. Jackson

Index Scriptorium Estoniae

Jackson, Timothy L.

2008-01-01

Hindemithi Neljanda keelpillikvarteti 2. osa muusikaanalüüs. Muusikalooline taust Paul Hindemithi, Heinrich Schenkeri, Wilhelm Furtwängleri, Bruno Stürmeri ja Gerhard Albersheimi kirjavahetuse varal. Artikli lõpus saksakeelsed originaalkirjad

Corrective results for the even-parity-quartet P states of lithium isoelectronic sequence

International Nuclear Information System (INIS)

Holoien, E.

1982-01-01

In order to secure a proper p-type behavior of the radial Slater orbitals r/sup n/exp(-etar/2) for the two p electrons near origin in the 1s2p2p configuration, the fixed n power must always be chosen greater than or equal to unity. Unfortunately, this restriction has not been applied to both p electrons in all 30 basic products of the 1967 trial wave function for the even-parity 4 p states, only correct for the one p electron in the case of 4p 0 states. According to this restriction only 14 basic products used are allowed. The remaining 16 basic products are not allowed and therefore have been omitted in the present investigation. This error has made the 1967 calculated total energies too low. Corrective results of the total energy using the allowed correlated 14-term wave function are given in this Communication. The present result for He - 1s2p 2 4 p indicates a position 148 meV in the continuum above the He 2 3 P threshold, in good agreement with recent theoretical calculations

Density Functional Theory Study of Competitive Reaction Pathways of Ti+ with Fluorinated Acetone in the Gas Phase

International Nuclear Information System (INIS)

Hong, Kiryong; Kim, Tae Kyu

2012-01-01

We investigate the doublet and quartet potential energy surfaces associated with the gas-phase reaction between Ti + and CF 3 COCH 3 for two plausible reaction pathways, TiF 2 + and TiO + formation pathways by using the density functional theory (DFT) method. The molecular structures of intermediates and transition states involved in these reaction pathways are optimized at the DFT level by using the PBE0 functional. All transition states are identified by using the intrinsic reaction coordinate (IRC) method, and the resulting reaction coordinates describe how Ti + activates CF 3 COCH 3 and produces TiF 2 + and TiO + as products. On the basis of presented results, we propose the most favorable reaction pathway in the reaction between Ti + and CF 3 COCH 3

Δ-excitations and the three-nucleon force

International Nuclear Information System (INIS)

Epelbaum, E.; Krebs, H.; Meissner, Ulf-G.

2008-01-01

We study the three-nucleon force in chiral effective field theory with explicit Δ-resonance degrees of freedom. We show that up to next-to-next-to-leading order, the only contribution to the isospin symmetric three-nucleon force involving the spin-3/2 degrees of freedom is given by the two-pion-exchange diagram with an intermediate delta, frequently called the Fujita-Miyazawa force. We also analyze the leading isospin-breaking corrections due to the delta. For that, we give the first quantitative analysis of the delta quartet mass splittings in chiral effective field theory including the leading electromagnetic corrections. The charge-symmetry breaking three-nucleon force due to an intermediate delta excitation is small, of the order of a few keV

Measuring social interaction in music ensembles.

Science.gov (United States)

Volpe, Gualtiero; D'Ausilio, Alessandro; Badino, Leonardo; Camurri, Antonio; Fadiga, Luciano

2016-05-05

Music ensembles are an ideal test-bed for quantitative analysis of social interaction. Music is an inherently social activity, and music ensembles offer a broad variety of scenarios which are particularly suitable for investigation. Small ensembles, such as string quartets, are deemed a significant example of self-managed teams, where all musicians contribute equally to a task. In bigger ensembles, such as orchestras, the relationship between a leader (the conductor) and a group of followers (the musicians) clearly emerges. This paper presents an overview of recent research on social interaction in music ensembles with a particular focus on (i) studies from cognitive neuroscience; and (ii) studies adopting a computational approach for carrying out automatic quantitative analysis of ensemble music performances. © 2016 The Author(s).

“One Ring to Bind Them All”—Part I: The Efficiency of the Macrocyclic Scaffold for G-Quadruplex DNA Recognition

Directory of Open Access Journals (Sweden)

David Monchaud

2010-01-01

Full Text Available Macrocyclic scaffolds are particularly attractive for designing selective G-quadruplex ligands essentially because, on one hand, they show a poor affinity for the “standard” B-DNA conformation and, on the other hand, they fit nicely with the external G-quartets of quadruplexes. Stimulated by the pioneering studies on the cationic porphyrin TMPyP4 and the natural product telomestatin, follow-up studies have developed, rapidly leading to a large diversity of macrocyclic structures with remarkable-quadruplex binding properties and biological activities. In this review we summarize the current state of the art in detailing the three main categories of quadruplex-binding macrocycles described so far (telomestatin-like polyheteroarenes, porphyrins and derivatives, polyammonium cyclophanes, and in addressing both synthetic issues and biological aspects.

Variability and situatedness of human emotions. Comment on "The quartet theory of human emotions: An integrative and neurofunctional model" by S. Koelsch et al.

Science.gov (United States)

Nadal, Marcos; Rosselló, Jaume

2015-06-01

We commend Koelsch and colleagues [14] for developing a broad and integrative explanation of the neurobiological foundations of emotions. We especially welcome this framework's emphasis on the interaction between language and emotion, and its focus on the characteristically human moral emotions. Emotions elicited by art and aesthetics also seem to be distinctively human, but comparatively little research has been devoted to understanding these. This is probably because they are usually viewed as atypical in several respects. William James [12], for instance, regarded emotional responses to artworks and aesthetic qualities as subtler emotions, because they lacked the strong bodily changes and adaptive value characteristic of coarser emotions, such as joy, anger, or fear. This view is still predominant today, and aesthetic emotions are often distinguished from everyday emotions [13]. However, the notion of a class of aesthetic emotions, separate from everyday emotions, rests on the questionable assumption that artistic and aesthetic experiences and activities are different in essence from everyday experiences and activities. The discontinuity between "aesthetic experience [and] normal processes of living" [9, p. 10], however, is the product of social and cultural developments in Europe during the 18th century [7,15,20]. Distinctions that oppose art to craft, or aesthetic to practical, in reference to objects, behaviors, experiences, and emotions, make little sense in a broader historic and geographic context [1,7,20], and hinder empirical research [7].

Bright Solitons in a PT-Symmetric Chain of Dimers

Directory of Open Access Journals (Sweden)

Omar B. Kirikchi

2016-01-01

Full Text Available We study the existence and stability of fundamental bright discrete solitons in a parity-time- (PT- symmetric coupler composed by a chain of dimers that is modelled by linearly coupled discrete nonlinear Schrödinger equations with gain and loss terms. We use a perturbation theory for small coupling between the lattices to perform the analysis, which is then confirmed by numerical calculations. Such analysis is based on the concept of the so-called anticontinuum limit approach. We consider the fundamental onsite and intersite bright solitons. Each solution has symmetric and antisymmetric configurations between the arms. The stability of the solutions is then determined by solving the corresponding eigenvalue problem. We obtain that both symmetric and antisymmetric onsite mode can be stable for small coupling, in contrast to the reported continuum limit where the antisymmetric solutions are always unstable. The instability is either due to the internal modes crossing the origin or the appearance of a quartet of complex eigenvalues. In general, the gain-loss term can be considered parasitic as it reduces the stability region of the onsite solitons. Additionally, we analyse the dynamic behaviour of the onsite and intersite solitons when unstable, where typically it is either in the form of travelling solitons or soliton blow-ups.

SEP-class genes in Prunus mume and their likely role in floral organ development.

Science.gov (United States)

Zhou, Yuzhen; Xu, Zongda; Yong, Xue; Ahmad, Sagheer; Yang, Weiru; Cheng, Tangren; Wang, Jia; Zhang, Qixiang

2017-01-13

Flower phylogenetics and genetically controlled development have been revolutionised during the last two decades. However, some of these evolutionary aspects are still debatable. MADS-box genes are known to play essential role in specifying the floral organogenesis and differentiation in numerous model plants like Petunia hybrida, Arabidopsis thaliana and Antirrhinum majus. SEPALLATA (SEP) genes, belonging to the MADS-box gene family, are members of the ABCDE and quartet models of floral organ development and play a vital role in flower development. However, few studies of the genes in Prunus mume have yet been conducted. In this study, we cloned four PmSEPs and investigated their phylogenetic relationship with other species. Expression pattern analyses and yeast two-hybrid assays of these four genes indicated their involvement in the floral organogenesis with PmSEP4 specifically related to specification of the prolificated flowers in P. mume. It was observed that the flower meristem was specified by PmSEP1 and PmSEP4, the sepal by PmSEP1 and PmSEP4, petals by PmSEP2 and PmSEP3, stamens by PmSEP2 and PmSEP3 and pistils by PmSEP2 and PmSEP3. With the above in mind, flower development in P. mume might be due to an expression of SEP genes. Our findings can provide a foundation for further investigations of the transcriptional factors governing flower development, their molecular mechanisms and genetic basis.

The role of the core in degeneracy of chiral candidate band doubling

International Nuclear Information System (INIS)

Timar, J.; Sohler, D.; Vaman, C.; SUNY, Stony Brook, NY; Starosta, K.; Fossan, D.B.; Koike, T.; Tohoku Univ., Sendai; Lee, I.Y.; Macchiavelli, A.O.

2005-01-01

Complete text of publication follows. Nearly degenerate ΔI=1 rotational bands have been observed recently in several odd-odd nuclei in the A ∼ 130 and A ∼ 100 mass regions. The properties of these doublet bands have been found to agree with the scenario of spontaneous formation of chirality and disagree with other possible scenarios. However, the most recent results obtained from life-time experiments for some chiral candidate nuclei in the A ∼ 130 mass region seem to contradict the chiral interpretation of the doublet bands in these nuclei based on the observed differences in the absolute electromagnetic transition rates; the transition rates expected for chiral doublets are predicted to be very similar. Therefore it is interesting to search for new types of experimental data that may provide further possibilities to distinguish between alternative interpretations, and may uncover new properties of the mechanism that is responsible for the band doubling in these nuclei. Such a new type of experimental data was found by studying the chiral candidate bands in neighboring Rh nuclei. High-spin states of 103 Rh were studied using the 96 Zr( 11 B,4n) reaction at 40 MeV beam energy and chiral partner candidate bands have been found in it. As a result of this observation a special quartet of neighboring chiral candidate nuclei can be investigated for the first time. With this quartet identified a comparison between the behavior of the nearly degenerate doublet bands belonging to the same core but to different valence quasiparticle configurations, as well as belonging to different cores but to the same valence quasiparticle configuration, becomes possible. The comparison shows that the energy separation of these doublet band structures depends mainly on the core properties and only at less extent on the valence quasiparticle coupling. This observation sets up new criteria for the explanations of the band doublings, restricting the possible scenarios and providing

Laser spectroscopy of the 109.1-nm transition in neutral Cs

International Nuclear Information System (INIS)

Dimiduk, D.P.; Young, J.F.; Harris, S.E.; Pedrotti, K.D.

1986-01-01

Certain core-excited quartet levels in alkali-like atoms and ions, termed quasi-metastable, have slow autoionizing rates and comparable (relatively fast for quartets) VUV radiative rates. This circumstance, desirable for laser transitions, is due to angular momentum and parity selection rules on these quarters and the doublets to which they may couple via the spin-orbit interaction. The 109.1-nm transition is between Cs(5p/sup 5/5d6s)/sup 4/P/sub 5/2/ and Cs(5p/sup 6/5d)/sup 2/D and is a prototype of a class of transitions which originate on quasi-metastable levels. It has been observed in emission from a pulsed hollow-cathode discharge. Here the authors report an experiment using the same discharge to populate the lower level of this transition; tunable VUV radiation, generated by four-wave mixing, is used to make absorption measurements at near Doppler-limited resolution. From these data the authors measure accurately the fine-structure splitting of the transition, estimate the oscillator strength and hyperfine splitting, and thus confirm the identity of the transition. The VUV radiation was generated via a resonant process in Zn vapor and then directed through the pulsed hollow cathode. The scanned VUV was absorbed by the excited Cs(5p/sup 6/5d)/sup 2/D atoms in the discharge. The authors measured separately the excited atom populations via absorption on the 5d-nf transitions, thus measuring the NL product of the lower levels. By varying the discharge current, the absorption was measured as a function of the lower level NL yielding curves of growth for these transitions. Careful study of these curves yielded the oscillator strengths of both components of this transition and an estimate of the hyperfine broadening of the upper level. The measured oscillator strengths agreed well with the authors' calculations using the code RCN/RCG

A Phenomenology of Expert Musicianship

DEFF Research Database (Denmark)

Høffding, Simon

This dissertation develops a phenomenology of expert musicianship through an interdisciplinary approach that integrates qualitative interviews with the Danish String Quartet with philosophical analyses drawing on ideas and theses found in phenomenology, philosophy of mind, cognitive science...... and psychology of music. The dissertation is structured through the asking, analyzing and answering of three primary questions, namely: 1) What is it like to be an expert? 2) What is the general phenomenology of expert musicianship? 3) What happens to the self in deep musical absorption? The first question...... targets a central debate in philosophy and psychology on whether reflection is conducive for, or detrimental to, skillful performance. My analyses show that the concepts assumed in the literature on this question are poorly defined and gloss over more important features of expertise. The second question...

Horizontal vectorization of electron repulsion integrals.

Science.gov (United States)

Pritchard, Benjamin P; Chow, Edmond

2016-10-30

We present an efficient implementation of the Obara-Saika algorithm for the computation of electron repulsion integrals that utilizes vector intrinsics to calculate several primitive integrals concurrently in a SIMD vector. Initial benchmarks display a 2-4 times speedup with AVX instructions over comparable scalar code, depending on the basis set. Speedup over scalar code is found to be sensitive to the level of contraction of the basis set, and is best for (lAlB|lClD) quartets when lD  = 0 or lB=lD=0, which makes such a vectorization scheme particularly suitable for density fitting. The basic Obara-Saika algorithm, how it is vectorized, and the performance bottlenecks are analyzed and discussed. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

Chlorobis(2,2,2-trifluoroethoxy) and dichloro(2,2,2-trifluoroethoxy)-vanadium(III): synthesis and coordination chemistry

International Nuclear Information System (INIS)

Chadha, S.L.; Uppal, K.

1987-01-01

VCl(OCH 2 CF 3 ) 2 and VCl 2 (OCH 2 CF 3 ) have been synthesised. They form complexes with monodentate oxygen or nitrogen donor ligands. The magnetic moments for these complexes indicate antiferromagnetic interactions and their electronic spectra are consistent with octahedral coordination of V(III) involving chloride, organoxy ions and the ligands. The i.r. spectra support the alkoxy-bridged structure for these complexes in which the ligands are probably cis to each other. 1 H nmr spectrum of VCl(OCH 2 CF 3 ) 2 shows a sharp quartet suggesting a sharp exchange of terminal and bridging alkoxy groups. 19 F nmr spectra of the parent compounds also show a single sharp band. The mass spectra suggest a dimeric form for both compounds in vapour phase

The spectrum of singly ionized oxygen, O II

International Nuclear Information System (INIS)

Wenaker, I.

1990-01-01

The spectrum of singly ionized oxygen, O II, emitted by a spark-generated, electrodeless discharge light source, has been investigated in the wavelength range 2100-11700 A. About 740 lines, 359 of which have not been reported earlier, were measured. As a result the energies of about 50 new levels have been determined, and the O II term system now presented includes 254 levels. The quartet system is firmly connected to the doublet system by 56 identified intersystem lines. The ionization limits have been determined by applying the polarization formula to the 4f, 5f, 5g and 6g levels. The experimentally determined value for the lowest limit, 2s 2 2p 2 3 P 0 , is 283270.9±0.5 cm -1 above the 2s 2 2p 3 4 S 3/2 ground state. (orig.)

Electron impact excitation of the iron peak element Fe II

International Nuclear Information System (INIS)

Ramsbottom, C.A.; Scott, M.P.; Bell, K.L.; McLaughlin, B.M.; Burke, P.G.; Keenan, F.P.; Sunderland, A.G.; Burke, V.M.; Noble, C.J.

2002-01-01

Effective collision strengths for electron-impact excitation of Fe II are presented for all sextet-to-quartet transitions among the 38 LS states formed from the basis configurations 3d 6 4s, 3d 7 and 3d 6 4p. A total of 112 individual transitions are considered at electron temperatures in the range 30-100,000 K, encompassing values of importance for applications in astrophysics as well as laboratory plasmas. A limited comparison is made with earlier theoretical work and large differences are found to occur at the temperatures considered. In particular, it is found that the inclusion or omission of some (N+1)-bound configurations in the Hamiltonian matrices describing the collision process can have a huge effect on the resulting effective collision strengths, by up to a factor of four in some cases. (author)

Using biharmonic laser pumping for preparation of pure and entangled multiexciton states in clusters of resonantly interacting fluorescent centres

International Nuclear Information System (INIS)

Basieva, I.T.; Basiev, T.T.; Dietler, G.; Pukhov, K.K.; Sekatskii, S.K.

2007-01-01

Use of a biharmonic laser pumping for preparation of pure and entangled multiexciton states in dimers and tetramers of resonantly interacting fluorescent particles is analysed. Special emphasis is given to the preparation of all possible pure exciton states and their maximally entangled Bell states. The general results are illustrated using as an example the pair and quartet centres of neodymium ions in calcium fluoride (M- and N-centres), where all necessary experimental information concerning the interactions and decoherence is available, and experimental preparation of Bell vacuum-single exciton and vacuum-biexciton states has been recently demonstrated. These results can be easily rescaled for the cases of quantum dots and dye molecules. Numerical results are compared with the analytical results obtained for a particular case of the biharmonic excitation of dimers. Excellent agreement between these approaches is demonstrated

Hidden correlations entailed by q-non additivity render the q-monoatomic gas highly non trivial

Science.gov (United States)

Plastino, A.; Rocca, M. C.

2018-01-01

It ts known that Tsallis' q-non-additivity entails hidden correlations. It has also been shown that even for a monoatomic gas, both the q-partition function Z and the mean energy 〈 U 〉 diverge and, in particular, exhibit poles for certain values of the Tsallis non additivity parameter q. This happens because Z and 〈 U 〉 both depend on a Γ-function. This Γ, in turn, depends upon the spatial dimension ν. We encounter three different regimes according to the argument A of the Γ-function. (1) A > 0, (2) A 0 outside the poles. (3) A displays poles and the physics is obtained via dimensional regularization. In cases (2) and (3) one discovers gravitational effects and quartets of particles. Moreover, bound states and gravitational effects emerge as a consequence of the hidden q-correlations.

The Insider Artist

DEFF Research Database (Denmark)

Monthoux, Pierre Guillet de

2013-01-01

Purpose – The purpose of this article is to examine the similarities between creative business leadership and successful artists and to illustrate how the label “outside artist” is a romantic myth. Design/methodology/approach – Making use of four cases in classical music history, this study...... analyzes how a quartet of musical artists negotiated their space inside highly organized and changing environments. Findings – Many qualities exhibited by musical artists are similar to those required of successful organizational managers. One of the reasons that insider artistry is a complex phenomenon...... is that socio-organizational conditions are not fixed, they change. Therefore, each new generation of artists has to invent new strategies to get the job done. Practical implications – Understanding the nature of these similar qualities will help clarify the issue of making art work inside organizations...

Metals in proteins: correlation between the metal-ion type, coordination number and the amino-acid residues involved in the coordination.

Science.gov (United States)

Dokmanić, Ivan; Sikić, Mile; Tomić, Sanja

2008-03-01

Metal ions are constituents of many metalloproteins, in which they have either catalytic (metalloenzymes) or structural functions. In this work, the characteristics of various metals were studied (Cu, Zn, Mg, Mn, Fe, Co, Ni, Cd and Ca in proteins with known crystal structure) as well as the specificity of their environments. The analysis was performed on two data sets: the set of protein structures in the Protein Data Bank (PDB) determined with resolution metal ion and its electron donors and the latter was used to assess the preferred coordination numbers and common combinations of amino-acid residues in the neighbourhood of each metal. Although the metal ions considered predominantly had a valence of two, their preferred coordination number and the type of amino-acid residues that participate in the coordination differed significantly from one metal ion to the next. This study concentrates on finding the specificities of a metal-ion environment, namely the distribution of coordination numbers and the amino-acid residue types that frequently take part in coordination. Furthermore, the correlation between the coordination number and the occurrence of certain amino-acid residues (quartets and triplets) in a metal-ion coordination sphere was analysed. The results obtained are of particular value for the identification and modelling of metal-binding sites in protein structures derived by homology modelling. Knowledge of the geometry and characteristics of the metal-binding sites in metalloproteins of known function can help to more closely determine the biological activity of proteins of unknown function and to aid in design of proteins with specific affinity for certain metals.

Galaxy evolution. Quasar quartet embedded in giant nebula reveals rare massive structure in distant universe.

Science.gov (United States)

Hennawi, Joseph F; Prochaska, J Xavier; Cantalupo, Sebastiano; Arrigoni-Battaia, Fabrizio

2015-05-15

All galaxies once passed through a hyperluminous quasar phase powered by accretion onto a supermassive black hole. But because these episodes are brief, quasars are rare objects typically separated by cosmological distances. In a survey for Lyman-α emission at redshift z ≈ 2, we discovered a physical association of four quasars embedded in a giant nebula. Located within a substantial overdensity of galaxies, this system is probably the progenitor of a massive galaxy cluster. The chance probability of finding a quadruple quasar is estimated to be ∼10(-7), implying a physical connection between Lyman-α nebulae and the locations of rare protoclusters. Our findings imply that the most massive structures in the distant universe have a tremendous supply (≃10(11) solar masses) of cool dense (volume density ≃ 1 cm(-3)) gas, which is in conflict with current cosmological simulations. Copyright © 2015, American Association for the Advancement of Science.

iPS Cells—The Triumphs and Tribulations

Directory of Open Access Journals (Sweden)

Riddhi Sharma

2016-06-01

Full Text Available The year 2006 will be remembered monumentally in science, particularly in the stem cell biology field, for the first instance of generation of induced pluripotent stem cells (iPSCs from mouse embryonic/adult fibroblasts being reported by Takahashi and Yamanaka. A year later, human iPSCs (hiPSCs were generated from adult human skin fibroblasts by using quartet of genes, Oct4, Sox2, Klf4, and c-Myc. This revolutionary technology won Yamanaka Nobel Prize in Physiology and Medicine in 2012. Like human embryonic stem cells (hESCs, iPSCs are pluripotent and have the capability for self-renewal. Moreover, complications of immune rejection for therapeutic applications would be greatly eliminated by generating iPSCs from individual patients. This has enabled their use for drug screening/discovery and disease modelling in vitro; and for immunotherapy and regenerative cellular therapies in vivo, paving paths for new therapeutics. Although this breakthrough technology has a huge potential, generation of these unusual cells is still slow, ineffectual, fraught with pitfalls, and unsafe for human use. In this review, I describe how iPSCs are being triumphantly used to lay foundation for a fully functional discipline of regenerative dentistry and medicine, alongside discussing the challenges of translating therapies into clinics. I also discuss their future implications in regenerative dentistry field.

Exotic colored scalars at the LHC

Energy Technology Data Exchange (ETDEWEB)

Blum, Kfir; Efrati, Aielet; Frugiuele, Claudia; Nir, Yosef [Department of Particle Physics and Astrophysics, Weizmann Institute of Science, Rehovot, 7610001 (Israel)

2017-02-21

We study the phenomenology of exotic color-triplet scalar particles X with charge |Q|=2/3,4/3,5/3,7/3,8/3 and 10/3. If X is an SU(2){sub W}-non-singlet, mass splitting within the multiplet allows for cascade decays of the members into the lightest state. We study examples where the lightest state, in turn, decays into a three-body W{sup ±}jj final state, and show that in such case the entire multiplet is compatible with indirect precision tests and with direct collider searches for continuum pair production of X down to m{sub X}∼250 GeV. However, bound states S, made of XX{sup †} pairs at m{sub S}≈2m{sub X}, form under rather generic conditions and their decay to diphoton can be the first discovery channel of the model. Furthermore, for SU(2){sub W}-non-singlets, the mode S→W{sup +}W{sup −} may be observable and the width of S→γγ and S→jj may appear large as a consequence of mass splittings within the X-multiplet. As an example we study in detail the case of an SU(2){sub W}-quartet, finding that m{sub X}≃450 GeV is allowed by all current searches.

Nuclear spin-spin coupling constants of linear carbon chains terminated by coronene molecules: a first principles study

International Nuclear Information System (INIS)

Oliveira, Joao Paulo Cavalcante; Mota, F. de Brito; Rivelino, Roberto

2011-01-01

Full text. Carbon nano wires made of long linear atomic chains have attracted considerable interest due to their potential applications in nano electronics. We report a density-functional-theory study of the nuclear spin-spin coupling constants for nano assemblies made of two coronene molecules bridged by carbon linear chains, considering distinct sizes and spin multiplicities. Also, we examine the effects of two terminal conformations (syn and anti) of the terminal anchor pieces on the magnetic properties of the carbon chains via 13 C NMR calculations. Our results reveal that simplified chemical models such as those based on cumulenes or polyynes are not appropriate to describe the linear chains with sp 2 terminations. For these types of atomic chains, the electronic ground state of the even-numbered chains can be singlet or triplet, whereas the ground state of the odd-numbered chains can be doublet or quartet. We discuss how the 13 C NMR chemical shift absorption is affected by increasing the size and changing the parity of the linear carbon chains. We have found that the J coupling constants between the carbon atoms in the linear chains present a well-defined pattern, in good accordance with our electronic structure calculations. For example, in the -C 4 - units we obtain couplings of 43.8, 114.5, 84.6, 114.5, and 43.8 Hz from one end to the other

Levels of analysis in neuroscientific studies of emotion: Comment on "The quartet theory of human emotions: an integrative and neurofunctional model" by S. Koelsch et al.

Science.gov (United States)

Kuiken, Don; Douglas, Shawn

2015-06-01

In the conduct of neuroscience research, methodological choices and theoretical claims often reveal underlying metamethodological and ontological commitments. Koelsch et al. [1] accentuate such commitments in their description of four "neuroanatomically distinct systems," each the substrate of "a specific class of affects" (p. 1). Explication of those classes of affect require theoretical integration across methodologically diverse disciplines, including "psychology, neurobiology, sociology, anthropology, and psycholinguistics" (p. 3). (Philosophy is noticeably missing from this list, but several aspects of the authors' stance indicate that it is not ignored.)

Determination of the hydrogen-bond network and the ferrimagnetic structure of a rockbridgeite-type compound, {Fe^{2+Fe^{3+}_{3.2}(Mn^{2+}, Zn)_{0.8}(PO_{4})_{3}(OH)_{4.2}(HOH)_{0.8}}}

Science.gov (United States)

Röska, B.; Park, S.-H.; Behal, D.; Hess, K.-U.; Günther, A.; Benka, G.; Pfleiderer, C.; Hoelzel, M.; Kimura, T.

2018-06-01

Applying neutron powder diffraction, four unique hydrogen positions were determined in a rockbridgeite-type compound, . Its honeycomb-like H-bond network running without interruption along the crystallographic axis resembles those in alkali sulphatic and arsenatic oxyhydroxides. They provide the so-called dynamically disordered H-bond network over which protons are superconducting in a vehicle mechanism. This is indicated by dramatic increases of dielectric constant and loss factor at room temperature. The relevance of static and dynamic disorder of OH and HOH groups are explained in terms of a high number of structural defects at octahedral chains alternatingly half-occupied by cations. The structure is built up by unusual octahedral doublet, triplet, and quartet clusters of aliovalent 3d transition metal cations, predicting complicate magnetic ordering and interaction. The ferrimagnetic structure below the Curie temperature –83 K could be determined from the structure analysis with neutron diffraction data at 25 K.

QuartetS-DB: A Large-Scale Orthology Database for Prokaryotes and Eukaryotes Inferred by Evolutionary Evidence

Science.gov (United States)

2012-01-01

particular functions and identify species that contain these proteins. For example, if users select two species, Homo sapiens and Mus musculus, and...Kerr AR, McCormack TJ, Riley M: Evolution by leaps: gene duplication in bacteria. Biol Direct 2009, 4:46. 12. Remm M, Storm CE, Sonnhammer EL

Computational study on the functionalization of BNNC with pyrrole molecule

Science.gov (United States)

Payvand, Akram; Tavangar, Zahra

2018-05-01

The functionalization of the boron nitride nanocone (BNNC) by pyrrole molecule was studied using B3LYP/6-311+G(d) level of theory. The reaction was studied in three methods in different layers of the nanocone: Diels-Alder cycloaddition, quartet cycloaddition and the reaction of the nitrogen atom of the pyrrole molecule with the boron or nitrogen atom of the BNNC. Thermodynamic quantities, Chemical hardness and potential and electrophilicity index of the functionalized BNNC were studied. The results show that the tip of nanocone has a higher tendency for participation in the reaction and the most favorable product of the reaction between BNNC and pyrrole molecule is produced from the reaction of N atom of pyrrole with the B atom of BNNC. The reaction decreases the energy gap value which leads to increasing the reactivity and conductivity of functionalized nanocone. The calculated NICS values confirm the aromaticity in the pristine nanocone as well as in the functionalized nanocone.

First-principles prediction of optical second-order harmonic generation in the endohedral N-C{sub 60} compound

Energy Technology Data Exchange (ETDEWEB)

Zhang, G. P.; Strubbe, David A.; Louie, Steven G.; George, Thomas F. [Department of Physics, Indiana State University, Terre Haute, Indiana 47809 (United States); Department of Physics, University of California, Berkeley, California 94720 (United States) and Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Department of Chemistry and Biochemistry and Department of Physics and Astronomy, Office of the Chancellor and Center for Nanoscience, University of Missouri-St. Louis, St. Louis, Missouri 63121 (United States)

2011-08-15

Non-linear-optical properties in C{sub 60} have attracted enormous attention for over two decades. The endohedral complex N-C{sub 60}, with its remarkable thermal stability and spin-quartet ground state, is a candidate for future room-temperature quantum computing, but there has been no investigation of its non-linear-optical properties. Here, a first-principles calculation shows that N-C{sub 60} is a promising material for nanoscale and ultrafast modulations. Excitation by a pump laser pulse of the nitrogen-atom vibration inside the C{sub 60} cage transiently breaks inversion symmetry and can enable second-harmonic generation (SHG) from a probe pulse. Unlike the SHG observed in C{sub 60} thin films, this harmonic signal is switched on and off periodically every 345 fs. For an fcc crystal of N-C{sub 60}, the second-order susceptibility {chi}{sup (2)} is on the order of 10{sup -8} esu, similar to commercially used nonlinear materials.

Evidence for an exotic S= -2, Q= -2 baryon resonance in proton-proton collisions at the CERN SPS.

Science.gov (United States)

Alt, C; Anticic, T; Baatar, B; Barna, D; Bartke, J; Betev, L; Białkowska, H; Billmeier, A; Blume, C; Boimska, B; Botje, M; Bracinik, J; Bramm, R; Brun, R; Buncić, P; Cerny, V; Christakoglou, P; Chvala, O; Cramer, J G; Csató, P; Darmenov, N; Dimitrov, A; Dinkelaker, P; Eckardt, V; Farantatos, G; Filip, P; Flierl, D; Fodor, Z; Foka, P; Freund, P; Friese, V; Gál, J; Gaździcki, M; Georgopoulos, G; Gładysz, E; Hegyi, S; Höhne, C; Kadija, K; Karev, A; Kniege, S; Kolesnikov, V I; Kollegger, T; Korus, R; Kowalski, M; Kraus, I; Kreps, M; van Leeuwen, M; Lévai, P; Litov, L; Makariev, M; Malakhov, A I; Markert, C; Mateev, M; Mayes, B W; Melkumov, G L; Meurer, C; Mischke, A; Mitrovski, M; Molnár, J; Mrówczyński, St; Pálla, G; Panagiotou, A D; Panayotov, D; Perl, K; Petridis, A; Pikna, M; Pinsky, L; Pühlhofer, F; Reid, J G; Renfordt, R; Retyk, W; Roland, C; Roland, G; Rybczyński, M; Rybicki, A; Sandoval, A; Sann, H; Schmitz, N; Seyboth, P; Siklér, F; Sitar, B; Skrzypczak, E; Stefanek, G; Stock, R; Ströbele, H; Susa, T; Szentpétery, I; Sziklai, J; Trainor, T A; Varga, D; Vassiliou, M; Veres, G I; Vesztergombi, G; Vranić, D; Wetzler, A; Włodarczyk, Z; Yoo, I K; Zaranek, J; Zimányi, J

2004-01-30

Results of resonance searches in the Xi(-)pi(-), Xi(-)pi(+), Xi;(+)pi(-), and Xi;(+)pi(+) invariant mass spectra in proton-proton collisions at sqrt[s]=17.2 GeV are presented. Evidence is shown for the existence of a narrow Xi(-)pi(-) baryon resonance with mass of 1.862+/-0.002 GeV/c(2) and width below the detector resolution of about 0.018 GeV/c(2). The significance is estimated to be above 4.2sigma. This state is a candidate for the hypothetical exotic Xi(--)(3/2) baryon with S=-2, I=3 / 2, and a quark content of (dsdsū). At the same mass, a peak is observed in the Xi(-)pi(+) spectrum which is a candidate for the Xi(0)(3/2) member of this isospin quartet with a quark content of (dsus[-]d). The corresponding antibaryon spectra also show enhancements at the same invariant mass.

The enigmatic Otway odd-clawed spider (Progradungula otwayensis Milledge, 1997, Gradungulidae, Araneae: Natural history, first description of the female and micro-computed tomography of the male palpal organ

Directory of Open Access Journals (Sweden)

Peter Michalik

2013-09-01

Full Text Available The recently described cribellate gradungulid Progradungula otwayensis Milledge, 1997 is endemic to the Great Otway National Park (Victoria, Australia and known from only one male and a few juvenile specimens. In a recent survey we recorded 47 specimens at several localities across the western part of the Great Otway National park. Our field data suggest that this species is dependant on the microclimate in the hollows of old myrtle beech trees since other hollow trees were very much less inhabited. Furthermore, we describe the female for the first time and study the male palpal organ by using X-ray microtomography. The female genitalia are characterized by eight spermathecae which are grouped in two quartets. The spermophor resembles the general organization of gradungulids, but is similar to Kaiya Gray, 1987 by a convoluted appearance within the embolus. The muscle 30 is located in the cymbium and resembles the organization of other non-entelegyne Araneomorphae.

The role of the excited electronic states in the C++H2O reaction

International Nuclear Information System (INIS)

Flores, Jesus R.; Gonzalez, Adan B.

2008-01-01

The electronic excited states of the [COH 2 ] + system have been studied in order to establish their role in the dynamics of the C + +H 2 O→[COH] + +H reaction, which is a prototypical ion-molecule reaction. The most relevant minima and saddle points of the lowest excited state have been determined and energy profiles for the lowest excited doublet and quartet electronic states have been computed along the fragmentation and isomerization coordinates. Also, nonadiabatic coupling strengths between the ground and the first excited state have been computed where they can be large. Our analysis suggests that the first excited state could play an important role in the generation of the formyl isomer, which has been detected in crossed beam experiments [D. M. Sonnenfroh et al., J. Chem. Phys. 83, 3985 (1985)], but could not be explained in quasiclassical trajectory computations [Y. Ishikawa et al., Chem. Phys. Lett. 370, 490 (2003); J. R. Flores, J. Chem. Phys. 125, 164309 (2006)

Leishmania replication protein A-1 binds in vivo single-stranded telomeric DNA

International Nuclear Information System (INIS)

Neto, J.L. Siqueira; Lira, C.B.B.; Giardini, M.A.; Khater, L.; Perez, A.M.; Peroni, L.A.; Reis, J.R.R. dos; Freitas-Junior, L.H.; Ramos, C.H.I.; Cano, M.I.N.

2007-01-01

Replication protein A (RPA) is a highly conserved heterotrimeric single-stranded DNA-binding protein involved in different events of DNA metabolism. In yeast, subunits 1 (RPA-1) and 2 (RPA-2) work also as telomerase recruiters and, in humans, the complex unfolds G-quartet structures formed by the 3' G-rich telomeric strand. In most eukaryotes, RPA-1 and RPA-2 bind DNA using multiple OB fold domains. In trypanosomatids, including Leishmania, RPA-1 has a canonical OB fold and a truncated RFA-1 structural domain. In Leishmania amazonensis, RPA-1 alone can form a complex in vitro with the telomeric G-rich strand. In this work, we show that LaRPA-1 is a nuclear protein that associates in vivo with Leishmania telomeres. We mapped the boundaries of the OB fold DNA-binding domain using deletion mutants. Since Leishmania and other trypanosomatids lack homologues of known telomere end binding proteins, our results raise questions about the function of RPA-1 in parasite telomeres

Neurological problems of famous musicians: the classical genre.

Science.gov (United States)

Newmark, Jonathan

2009-08-01

Neurological histories of great musicians allow for a unique perspective on music physiology. Bedrich Smetana's autobiographical string quartet ends with the musical equivalent of tinnitus in the fourth movement, rendering the youthful and passionate themes of earlier movements moot as the piece ends depicting his ultimately fatal disease, neurosyphilis. Dmitri Shostakovich survived the censorship of Joseph Stalin's apparatchiks but suffered a prolonged form of paralysis attributable to slowly progressive motor neuron disease, although the viola sonata he wrote on his deathbed has become standard repertoire. Glenn Gould was a hypochondriacal pianist with obsessive-compulsive disorder and suspected Asperger syndrome. Vissarion Shebalin and (Ira) Randall Thompson had strokes followed by aphasia without amusia. Domenico Scarlatti provides an example of how even great composers must alter their technical expectations depending upon the skills and body habitus of their chief patrons. The focal dystonia afflicting Leon Fleisher and Gary Graffman catalyzed the discipline of performing arts medicine.

Human telomeric DNA: G-quadruplex, i-motif and Watson–Crick double helix

Science.gov (United States)

Phan, Anh Tuân; Mergny, Jean-Louis

2002-01-01

Human telomeric DNA composed of (TTAGGG/CCCTAA)n repeats may form a classical Watson–Crick double helix. Each individual strand is also prone to quadruplex formation: the G-rich strand may adopt a G-quadruplex conformation involving G-quartets whereas the C-rich strand may fold into an i-motif based on intercalated C·C+ base pairs. Using an equimolar mixture of the telomeric oligonucleotides d[AGGG(TTAGGG)3] and d[(CCCTAA)3CCCT], we defined which structures existed and which would be the predominant species under a variety of experimental conditions. Under near-physiological conditions of pH, temperature and salt concentration, telomeric DNA was predominantly in a double-helix form. However, at lower pH values or higher temperatures, the G-quadruplex and/or the i-motif efficiently competed with the duplex. We also present kinetic and thermodynamic data for duplex association and for G-quadruplex/i-motif unfolding. PMID:12409451

A light-up probe targeting for Bcl-2 2345 G-quadruplex DNA with carbazole TO

Science.gov (United States)

Gu, Yingchun; Lin, Dayong; Tang, Yalin; Fei, Xuening; Wang, Cuihong; Zhang, Baolian; Zhou, Jianguo

2018-02-01

As its significant role, the selective recognition of G-quadruplex with specific structures and functions is important in biological and medicinal chemistry. Carbazole derivatives have been reported as a kind of fluorescent probe with many excellent optical properties. In the present study, the fluorescence of the dye (carbazole TO) increased almost 70 fold in the presence of bcl-2 2345 G4 compared to that alone in aqueous buffer condition with almost no fluorescence and 10-30 fold than those in the presence of other DNAs. The binding study results by activity inhibition of G4/Hemin peroxidase experiment, NMR titration and molecular docking simulation showed the high affinity and selectivity to bcl-2 2345 G4 arises from its end-stacking interaction with G-quartet. It is said that a facile approach with excellent sensitive, good selectivity and quick response for bcl-2 2345 G-quadruplex was developed and may be used for antitumor recognition or antitumor agents.

Extended BRS algebra and color confinement

International Nuclear Information System (INIS)

Shintani, Meiun.

1984-02-01

We examine the color confinement scheme and its realizations proposed by Kugo and Ojima. Using the Nakanishi's theorem, we obtain a representation of the extended BRS algebra compatible with the so-called K-O condition of their confinement criteria. However, it turns out that the representation is not physically acceptable, and thus their scheme lacks self-consistency at the level of realizations. We also clarify what kind of ghost structures are suggested by the well-definedness or ill-definedness of the charge operator Nsup(a) constituting a part of the global color charge operator. It is shown that there are four possible cancellation mechanisms of ghosts. In particular, it turns out that the octet of ghosts suggested by Nishijima in his confinement theory arises from the well-definedness of the Nsup(a) charge, whereas the elementary quartet arises from the ill-definedness of the Nsup(a). Moreover, from the octet structures, we deduce the confinement condition which replaces the K-O condition. (author)

Reynolds-number-dependent dynamical transitions on hydrodynamic synchronization modes of externally driven colloids

Science.gov (United States)

Oyama, Norihiro; Teshigawara, Kosuke; Molina, John Jairo; Yamamoto, Ryoichi; Taniguchi, Takashi

2018-03-01

The collective dynamics of externally driven Np-colloidal systems (1 ≤Np≤4 ) in a confined viscous fluid have been investigated using three-dimensional direct numerical simulations with fully resolved hydrodynamics. The dynamical modes of collective particle motion are studied by changing the particle Reynolds number as determined by the strength of the external driving force and the confining wall distance. For a system with Np=3 , we found that at a critical Reynolds number a dynamical mode transition occurs from the doublet-singlet mode to the triplet mode, which has not been reported experimentally. The dynamical mode transition was analyzed in detail from the following two viewpoints: (1) spectrum analysis of the time evolution of a tagged particle velocity and (2) the relative acceleration of the doublet cluster with respect to the singlet particle. For a system with Np=4 , we found similar dynamical mode transitions from the doublet-singlet-singlet mode to the triplet-singlet mode and further to the quartet mode.

Tetrahelical structural family adopted by AGCGA-rich regulatory DNA regions

Science.gov (United States)

Kocman, Vojč; Plavec, Janez

2017-05-01

Here we describe AGCGA-quadruplexes, an unexpected addition to the well-known tetrahelical families, G-quadruplexes and i-motifs, that have been a focus of intense research due to their potential biological impact in G- and C-rich DNA regions, respectively. High-resolution structures determined by solution-state nuclear magnetic resonance (NMR) spectroscopy demonstrate that AGCGA-quadruplexes comprise four 5'-AGCGA-3' tracts and are stabilized by G-A and G-C base pairs forming GAGA- and GCGC-quartets, respectively. Residues in the core of the structure are connected with edge-type loops. Sequences of alternating 5'-AGCGA-3' and 5'-GGG-3' repeats could be expected to form G-quadruplexes, but are shown herein to form AGCGA-quadruplexes instead. Unique structural features of AGCGA-quadruplexes together with lower sensitivity to cation and pH variation imply their potential biological relevance in regulatory regions of genes responsible for basic cellular processes that are related to neurological disorders, cancer and abnormalities in bone and cartilage development.

Body sway reflects leadership in joint music performance.

Science.gov (United States)

Chang, Andrew; Livingstone, Steven R; Bosnyak, Dan J; Trainor, Laurel J

2017-05-23

The cultural and technological achievements of the human species depend on complex social interactions. Nonverbal interpersonal coordination, or joint action, is a crucial element of social interaction, but the dynamics of nonverbal information flow among people are not well understood. We used joint music making in string quartets, a complex, naturalistic nonverbal behavior, as a model system. Using motion capture, we recorded body sway simultaneously in four musicians, which reflected real-time interpersonal information sharing. We used Granger causality to analyze predictive relationships among the motion time series of the players to determine the magnitude and direction of information flow among the players. We experimentally manipulated which musician was the leader (followers were not informed who was leading) and whether they could see each other, to investigate how these variables affect information flow. We found that assigned leaders exerted significantly greater influence on others and were less influenced by others compared with followers. This effect was present, whether or not they could see each other, but was enhanced with visual information, indicating that visual as well as auditory information is used in musical coordination. Importantly, performers' ratings of the "goodness" of their performances were positively correlated with the overall degree of body sway coupling, indicating that communication through body sway reflects perceived performance success. These results confirm that information sharing in a nonverbal joint action task occurs through both auditory and visual cues and that the dynamics of information flow are affected by changing group relationships.

Species trees from consensus single nucleotide polymorphism (SNP) data: Testing phylogenetic approaches with simulated and empirical data.

Science.gov (United States)

Schmidt-Lebuhn, Alexander N; Aitken, Nicola C; Chuah, Aaron

2017-11-01

Datasets of hundreds or thousands of SNPs (Single Nucleotide Polymorphisms) from multiple individuals per species are increasingly used to study population structure, species delimitation and shallow phylogenetics. The principal software tool to infer species or population trees from SNP data is currently the BEAST template SNAPP which uses a Bayesian coalescent analysis. However, it is computationally extremely demanding and tolerates only small amounts of missing data. We used simulated and empirical SNPs from plants (Australian Craspedia, Asteraceae, and Pelargonium, Geraniaceae) to compare species trees produced (1) by SNAPP, (2) using SVD quartets, and (3) using Bayesian and parsimony analysis with several different approaches to summarising data from multiple samples into one set of traits per species. Our aims were to explore the impact of tree topology and missing data on the results, and to test which data summarising and analyses approaches would best approximate the results obtained from SNAPP for empirical data. SVD quartets retrieved the correct topology from simulated data, as did SNAPP except in the case of a very unbalanced phylogeny. Both methods failed to retrieve the correct topology when large amounts of data were missing. Bayesian analysis of species level summary data scoring the two alleles of each SNP as independent characters and parsimony analysis of data scoring each SNP as one character produced trees with branch length distributions closest to the true trees on which SNPs were simulated. For empirical data, Bayesian inference and Dollo parsimony analysis of data scored allele-wise produced phylogenies most congruent with the results of SNAPP. In the case of study groups divergent enough for missing data to be phylogenetically informative (because of additional mutations preventing amplification of genomic fragments or bioinformatic establishment of homology), scoring of SNP data as a presence/absence matrix irrespective of allele

La cuestión de Dios en Heidegger: metafísica, pensamiento del ser, pensamiento según la poesía

Directory of Open Access Journals (Sweden)

NÉSTOR CORONA

2008-01-01

Full Text Available El artículo plantea la cuestión de Dios a partir de la crítica de Heidegger a la metafísica. En primer lugar, se presenta el carácter derivado del proceder lógico fundamentante causalístico, para mostrar luego que, según Heidegger, el fundamento verdadero que se ha ocultado, dando lugar así al fundamentar óntico, es el ser mismo (abismo que, manifestado como tal, anula el preguntar "¿por qué?". Desde allí queda criticado el ente supremo, causa primera, que la metafísica onoto-teo-lógica ha identificado con Dios. Dios se presenta en su divinidad, según Heidegger, en primer lugar en la palabra de Hólderlin, donde el ser-Cuarteto, con sus Divinos, señala hacia ese Dios, que así aparece más allá de tal ser-Cuarteto. El pensamiento tiene entonces su tarea propia en el seguimiento de ese poetizar. Tanto el poeta, como el pensador del ser que llega hasta lo Ereígnísy el pensador que piensa en seguimiento de la poesía acaban en el silencio. En tal silencio, precedido por "nombres que no nombran", se hace presente propiamente el Dios divino, el Dios "verdadero" según Heidegger.The article sets out the question of God from the starting point of Heidegger's criticism of metaphysics. In the first place, the derivative character of the fundamentally causal, logical procedure is presented in order to then show that, according to Heidegger, the true fundamental that has been hidden, resulting in this way in ontic fundamentation, is Being itself (abyss that, manifested as such, annuls the questioning "Why?" From there the Supreme Being, First Cause, that onto-theo-logical metaphysics has identified with God, is criticized. God is presented in His divinity, according to Heidegger, in the first place in the word of Hólderlin, where the Quartet-being, with his Divine beings, points towards that God, which thus appears beyond such a Quartet-being. Thinking then has as its own task the following of that poetic language. The poet as much as

Predictive coding links perception, action, and learning to emotions in music. Comment on "The quartet theory of human emotions: An integrative and neurofunctional model" by S. Koelsch et al.

Science.gov (United States)

Gebauer, L.; Kringelbach, M. L.; Vuust, P.

2015-06-01

The review by Koelsch and colleagues [1] offers a timely, comprehensive, and anatomically detailed framework for understanding the neural correlates of human emotions. The authors describe emotion in a framework of four affect systems, which are linked to effector systems, and higher order cognitive functions. This is elegantly demonstrated through the example of music; a realm for exploring emotions in a domain, that can be independent of language but still highly relevant for understanding human emotions [2].

Increased burden of deleterious variants in essential genes in autism spectrum disorder.

Science.gov (United States)

Ji, Xiao; Kember, Rachel L; Brown, Christopher D; Bućan, Maja

2016-12-27

Autism spectrum disorder (ASD) is a heterogeneous, highly heritable neurodevelopmental syndrome characterized by impaired social interaction, communication, and repetitive behavior. It is estimated that hundreds of genes contribute to ASD. We asked if genes with a strong effect on survival and fitness contribute to ASD risk. Human orthologs of genes with an essential role in pre- and postnatal development in the mouse [essential genes (EGs)] are enriched for disease genes and under strong purifying selection relative to human orthologs of mouse genes with a known nonlethal phenotype [nonessential genes (NEGs)]. This intolerance to deleterious mutations, commonly observed haploinsufficiency, and the importance of EGs in development suggest a possible cumulative effect of deleterious variants in EGs on complex neurodevelopmental disorders. With a comprehensive catalog of 3,915 mammalian EGs, we provide compelling evidence for a stronger contribution of EGs to ASD risk compared with NEGs. By examining the exonic de novo and inherited variants from 1,781 ASD quartet families, we show a significantly higher burden of damaging mutations in EGs in ASD probands compared with their non-ASD siblings. The analysis of EGs in the developing brain identified clusters of coexpressed EGs implicated in ASD. Finally, we suggest a high-priority list of 29 EGs with potential ASD risk as targets for future functional and behavioral studies. Overall, we show that large-scale studies of gene function in model organisms provide a powerful approach for prioritization of genes and pathogenic variants identified by sequencing studies of human disease.

Body sway reflects leadership in joint music performance

Science.gov (United States)

Livingstone, Steven R.; Bosnyak, Dan J.; Trainor, Laurel J.

2017-01-01

The cultural and technological achievements of the human species depend on complex social interactions. Nonverbal interpersonal coordination, or joint action, is a crucial element of social interaction, but the dynamics of nonverbal information flow among people are not well understood. We used joint music making in string quartets, a complex, naturalistic nonverbal behavior, as a model system. Using motion capture, we recorded body sway simultaneously in four musicians, which reflected real-time interpersonal information sharing. We used Granger causality to analyze predictive relationships among the motion time series of the players to determine the magnitude and direction of information flow among the players. We experimentally manipulated which musician was the leader (followers were not informed who was leading) and whether they could see each other, to investigate how these variables affect information flow. We found that assigned leaders exerted significantly greater influence on others and were less influenced by others compared with followers. This effect was present, whether or not they could see each other, but was enhanced with visual information, indicating that visual as well as auditory information is used in musical coordination. Importantly, performers’ ratings of the “goodness” of their performances were positively correlated with the overall degree of body sway coupling, indicating that communication through body sway reflects perceived performance success. These results confirm that information sharing in a nonverbal joint action task occurs through both auditory and visual cues and that the dynamics of information flow are affected by changing group relationships. PMID:28484007

Time-dependent nonequilibrium soft x-ray response during a spin crossover

Energy Technology Data Exchange (ETDEWEB)

van Veenendaal, Michel

2018-03-01

The rapid development of high-brilliance pulsed X-ray sources with femtosecond time resolution has created a need for a better theoretical understanding of the time-dependent soft-X-ray response of dissipative many-body quantum systems. It is demonstrated how soft-X-ray spectroscopies, such as X-ray absorption and resonant inelastic X-ray scattering at transition-metal L-edges, can provide insight into intersystem crossings, such as a spin crossover. The photoinduced doublet-to-quartet spin crossover on cobalt in Fe-Co Prussian blue analogues is used as an example to demonstrate how the X-ray response is affected by the dissipative nonequilibrium dynamics. The time-dependent soft-X-ray spectra provide a wealth of information that reflect the changes in the nonequilibrium initial state via continuously changing spectral lineshapes that cannot be decomposed into initial photoexcited and final metastable spectra, strong broadenings, a collapse of clear selection rules during the intersystem crossing, strong fluctuations in the isotropic branching ratio in X-ray absorption, and crystal-field collapse/oscillations and strongly time-dependent anti-Stokes processes in RIXS.

Colorimetric and bare eye determination of urinary methylamphetamine based on the use of aptamers and the salt-induced aggregation of unmodified gold nanoparticles

International Nuclear Information System (INIS)

Shi, Qiunan; Shi, Yupeng; Pan, Yi; Yi, Changqing; Yue, Zhenfeng; Zhang, Heng

2015-01-01

Methamphetamine (METH) is second only to marijuana as a widely used illicit drug. We are presenting a simple colorimetric assay for sensitive and visual detection of METH in human urine using a METH-specific aptamer as the recognition element and unmodified gold nanoparticles as indicators. The method is based on the finding that the presence of METH results in AuNPs solution’s color change from red to blue. Normally, aptamers attach to the surface of AuNPs and thereby increasing their resistance to NaCl-induced aggregation. If, however, the aptamer bind to METH via G-quartets, rapid salt induced aggregation occurs associated with the formation of a blue colored solution. Urinary METH can be quantified via this effect either visually or by measurement of the absorbance ratios at 660 and 525 nm, respectively. It works in the 2 μM to 10 μM concentration range with a detection limit at 0.82 μM. The method is fast and also works well in human urine. It is believed to represent a widely applicable aptamer-based detection scheme. (author)

A case study of pedagogy of mathematics support tutors without a background in mathematics education

Science.gov (United States)

Walsh, Richard

2017-01-01

This study investigates the pedagogical skills and knowledge of three tertiary-level mathematics support tutors in a large group classroom setting. This is achieved through the use of video analysis and a theoretical framework comprising Rowland's Knowledge Quartet and general pedagogical knowledge. The study reports on the findings in relation to these tutors' provision of mathematics support to first and second year undergraduate engineering students and second year undergraduate science students. It was found that tutors are lacking in various pedagogical skills which are needed for high-quality learning amongst service mathematics students (e.g. engineering/science/technology students), a demographic which have low levels of mathematics upon entering university. Tutors teach their support classes in a very fast didactic way with minimal opportunities for students to ask questions or to attempt problems. It was also found that this teaching method is even more so exaggerated in mandatory departmental mathematics tutorials that students take as part of their mathematics studies at tertiary level. The implications of the findings on mathematics tutor training at tertiary level are also discussed.

Microstructural effect on radiative scattering coefficient and asymmetry factor of anisotropic thermal barrier coatings

Science.gov (United States)

Chen, X. W.; Zhao, C. Y.; Wang, B. X.

2018-05-01

Thermal barrier coatings are common porous materials coated on the surface of devices operating under high temperatures and designed for heat insulation. This study presents a comprehensive investigation on the microstructural effect on radiative scattering coefficient and asymmetry factor of anisotropic thermal barrier coatings. Based on the quartet structure generation set algorithm, the finite-difference-time-domain method is applied to calculate angular scattering intensity distribution of complicated random microstructure, which takes wave nature into account. Combining Monte Carlo method with Particle Swarm Optimization, asymmetry factor, scattering coefficient and absorption coefficient are retrieved simultaneously. The retrieved radiative properties are identified with the angular scattering intensity distribution under different pore shapes, which takes dependent scattering and anisotropic pore shape into account implicitly. It has been found that microstructure significantly affects the radiative properties in thermal barrier coatings. Compared with spherical shape, irregular anisotropic pore shape reduces the forward scattering peak. The method used in this paper can also be applied to other porous media, which designs a frame work for further quantitative study on porous media.

The role of the crystal rotation axis in experimental three- and four-beam phase determination

International Nuclear Information System (INIS)

Post, B.; Gong, P.P.; Kern, L.; Ladell, J.

1986-01-01

The geometry of four-beam diffraction and procedures for generating it systematically are described. These utilize relatively simple Renninger-type experimental arrangements. The four reciprocal-lattice points involved in each four-beam interaction are located at the corners of rectangles or symmetrical trapezoids in reciprocal space. One of the sides, or a diagonal, of each such quadrilateral serves as the axis of the azimuthal rotation of the crystal. Experiments designed to compare the relative merits of different types of rotation axes have been carried out. It is found that axes of twofold (or higher) symmetry provide advantages over alternate arrangements for experimental phase determination. Four-beam interations are then generated systematically and in greater abundance than in all other n-beam interations combined (n > 2). Such interactions usually provide stronger phase indications than comparable three-beam interaction. The experiments also showed that, although the phase of an 'invariant' quartet is clearly invariant to the choice of unit-cell origin, it is not necessarily invariant to a change of rotation axis from one two-fold axis to another. (orig.)

'Deal with It. Name It': the diagnostic moment in film.

Science.gov (United States)

Jutel, Thierry; Jutel, Annemarie

2017-09-01

The moment a serious diagnosis is announced creates an important crisis for a patient, as it shifts their sense of self and of their future potential. This essay discusses the creative representation and use of this diagnostic moment in film narratives. Using Still Alice , A Late Quartet , Wit and Cléo from 5 to 7 as examples, we describe how each of these uses the diagnostic moment in relation to narrative construction and characterisation in recognisable ways. We associate the diagnostic moment with certain narrative and visual devices that are frequently implemented in films as means for character development, and for managing the audience's empathy. This is the case whether or not the diagnosis is contested or accepted, and whether the diagnostic moment is the frame for the narrative, or a closing device. By analysing its representation in film, we emphasise the cultural significance of diagnosis as a life-transforming event. Published by the BMJ Publishing Group Limited. For permission to use (where not already granted under a licence) please go to http://www.bmj.com/company/products-services/rights-and-licensing/.

Instrument Identification in Polyphonic Music: Feature Weighting to Minimize Influence of Sound Overlaps

Directory of Open Access Journals (Sweden)

Goto Masataka

2007-01-01

Full Text Available We provide a new solution to the problem of feature variations caused by the overlapping of sounds in instrument identification in polyphonic music. When multiple instruments simultaneously play, partials (harmonic components of their sounds overlap and interfere, which makes the acoustic features different from those of monophonic sounds. To cope with this, we weight features based on how much they are affected by overlapping. First, we quantitatively evaluate the influence of overlapping on each feature as the ratio of the within-class variance to the between-class variance in the distribution of training data obtained from polyphonic sounds. Then, we generate feature axes using a weighted mixture that minimizes the influence via linear discriminant analysis. In addition, we improve instrument identification using musical context. Experimental results showed that the recognition rates using both feature weighting and musical context were 84.1 for duo, 77.6 for trio, and 72.3 for quartet; those without using either were 53.4, 49.6, and 46.5 , respectively.

Elvis’ Gospel Music: Between the Secular and the Spiritual?

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Mark Duffett

2015-03-01

Full Text Available Do fans sanctify their heroes? In the past, I have argued that Elvis fandom is not a neo-religious practice but that attention to a modified version of Durkheim’s theory of religion can, nevertheless, help to explain it as a form of social interaction. I take that argument further here, first by revealing the ethical and analytical advantages of neo-Durkheimian theory, then by pitting this theory against three aspects of Elvis’ sincere engagement with gospel music. Elvis Presley won three Grammy awards for his gospel albums and was the musician who did most to bring the gospel quartet tradition to the mainstream. His eclectic personal ties to spirituality and religion have become a focus of debate within his fan culture. They offer a set of discursive resources through which to explain the emotional impact and social influence of his music. If star musicians are positioned as centres of attention, what happens when they use their privileged position in the spotlight to offer a “spiritual” message?

Mechanism of H2O2 dismutation catalyzed by a new catalase mimic (a non-heme dibenzotetraaza[14]annulene-Fe(III) complex): a density functional theory investigation.

Science.gov (United States)

Wang, Xin; Li, Shuhua; Jiang, Yuansheng

2004-10-04

The mechanism of H(2)O(2) dismutation catalyzed by the dibenzotetraaza[14]annulene-Fe(III) complex ([Fe(C(24)H(22)N(4)O(4))](+)) which was recently reported (Paschke, J.; Kirsch, M.; Korth, H. G.; de Groot, H.; Sustmann, R. J. Am. Chem. Soc. 2001, 123, 11099) has been investigated by density functional theory using the B3LYP hybrid functional. The quartet potential energy profile of the catalytic reaction has been explored. In the whole catalytic cycle, the rate-determining step is found to be the O-O bond homolytic cleavage, without the assistance of solvent molecules in the second coordination shell. The calculated free energy barrier for this step is 10.8 kcal/mol, which is in reasonable agreement with the experimental facts. The calculations also show that the hydroxyl and hydroperoxyl radicals may be generated in the reaction processes, but they can be efficiently quenched in strongly exothermic steps. This study provides a satisfactory explanation to the observed efficiency of the H(2)O(2) dismutation catalyzed by this complex.

Phylogenetic position of the giant anuran trypanosomes Trypanosoma chattoni, Trypanosoma fallisi, Trypanosoma mega, Trypanosoma neveulemairei, and Trypanosoma ranarum inferred from 18S rRNA gene sequences.

Science.gov (United States)

Martin, Donald S; Wright, André-Denis G; Barta, John R; Desser, Sherwin S

2002-06-01

Phylogenetic relationships within the kinetoplastid flagellates were inferred from comparisons of small-subunit ribosomal RNA gene sequences. These included 5 new gene sequences, Trypanosoma fallisi (2,239 bp), Trypanosoma chattoni (2,180 bp), Trypanosoma mega (2,211 bp), Trypanosoma neveulemairei (2,197 bp), and Trypanosoma ranarum (2,203 bp). Trees produced using maximum-parsimony and distance-matrix methods (least-squares, neighbor-joining, and maximum-likelihood), supported by strong bootstrap and quartet-puzzle analyses, indicated that the trypanosomes are a monophyletic group that divides into 2 major lineages, the salivarian trypanosomes and the nonsalivarian trypanosomes. The nonsalivarian trypanosomes further divide into 2 lineages, 1 containing trypanosomes of birds, mammals, and reptiles and the other containing trypanosomes of fish, reptiles, and anurans. Among the giant trypanosomes, T. chattoni is clearly shown to be distantly related to all the other anuran trypanosome species. Trypanosoma mega is closely associated with T. fallisi and T. ranarum, whereas T. neveulemairei and Trypanosoma rotatorium are sister taxa. The branching order of the anuran trypanosomes suggests that some toad trypanosomes may have evolved by host switching from frogs to toads.

A quartet of fermionic expressions for M(k,2k±1 Virasoro characters via half-lattice paths

Directory of Open Access Journals (Sweden)

Olivier Blondeau-Fournier

2017-11-01

We also derive a bosonic version of the generating functions of length L half-lattice paths, this expression being notable in that it involves q-trinomial coefficients. Taking the L→∞ limit shows that the generating functions for infinite length half-lattice paths are indeed the Virasoro characters χr,sk,2k±1.

Measuring the radium quartet (228Ra, 226Ra, 224Ra, 223Ra) in seawater samples using gamma spectrometry

International Nuclear Information System (INIS)

Beek, P. van; Souhaut, M.; Reyss, J.-L.

2010-01-01

Radium isotopes are widely used in marine studies (eg. to trace water masses, to quantify mixing processes or to study submarine groundwater discharge). While 228 Ra and 226 Ra are usually measured using gamma spectrometry, short-lived Ra isotopes ( 224 Ra and 223 Ra) are usually measured using a Radium Delayed Coincidence Counter (RaDeCC). Here we show that the four radium isotopes can be analyzed using gamma spectrometry. We report 226 Ra, 228 Ra, 224 Ra, 223 Ra activities measured using low-background gamma spectrometry in standard samples, in water samples collected in the vicinity of our laboratory (La Palme and Vaccares lagoons, France) but also in seawater samples collected in the plume of the Amazon river, off French Guyana (AMANDES project). The 223 Ra and 224 Ra activities determined in these samples using gamma spectrometry were compared to the activities determined using RaDeCC. Activities determined using the two techniques are in good agreement. Uncertainties associated with the 224 Ra activities are similar for the two techniques. RaDeCC is more sensitive for the detection of low 223 Ra activities. Gamma spectrometry thus constitutes an alternate method for the determination of short-lived Ra isotopes.

On the role of language from basic to cultural modulation of affect. Comment on "The quartet theory of human emotions: An integrative and neurofunctional model" by S. Koelsch et al.

Science.gov (United States)

Conrad, Markus

2015-06-01

Koelsch et al. [1] propose the following two emotion-relevant functions of language: "(a) With regard to subjective feelings, language is an important means to express as well as communicate emotions (and, therefore, also to elicit emotions in other individuals). (b) With regard to conscious appraisal, language is an important means to regulate emotions" - assuming that "activity of affect systems and effector systems is synthesized into an emotion percept (pre-verbal subjective feeling), which can be transformed (or reconfigured) into a symbolic code such as language".

Exploring the Notion of Information: A Proposal for a Multifaced Understanding

Directory of Open Access Journals (Sweden)

Miranda Kajtazi

2011-10-01

Full Text Available Man’s notion of ‘information’ is essential as it guides human thinking, planning, and consequent actions. Situations such as the Haiti earthquake in 2010, the financial crisis in Greece in 2010, and the oil slick in the Gulf of Mexico in 2010 are just a few instances of constant growing empirical dilemmas in our global society where information plays a central role. The meaning of what information is has clear implications for how we deal with it in our practical lives, which in turn may give rise to situations that we would prefer to be without. In this sense, the notion of information has evidently presented the need to question what it really means and how it dominates the functioning of our global society. To address this fundamental issue of information, two questions are explored and presented in this paper: What notions of information are dominating the scholarly literature? And what are the differences between these notions? To answer these questions, we have conducted a comprehensive literature survey of more than two hundred scholarly publications. Detailed analyses of the content of these publications identified four kinds of forms of information notions. The results show that these four forms present diverse and opposing views of the notion of information, labelled as the ‘quartet model of information’. These ad-dress different foci, contexts, and challenges. In addition, we propose an alternative and novel understanding of the notion of information, associated with how information functions in our global society. This understanding offers a new perspective intended to address significant needs of the information society.

Multiple-region directed functional connectivity based on phase delays.

Science.gov (United States)

Goelman, Gadi; Dan, Rotem

2017-03-01

Network analysis is increasingly advancing the field of neuroimaging. Neural networks are generally constructed from pairwise interactions with an assumption of linear relations between them. Here, a high-order statistical framework to calculate directed functional connectivity among multiple regions, using wavelet analysis and spectral coherence has been presented. The mathematical expression for 4 regions was derived and used to characterize a quartet of regions as a linear, combined (nonlinear), or disconnected network. Phase delays between regions were used to obtain network's temporal hierarchy and directionality. The validity of the mathematical derivation along with the effects of coupling strength and noise on its outcomes were studied by computer simulations of the Kuramoto model. The simulations demonstrated correct directionality for a large range of coupling strength and low sensitivity to Gaussian noise compared with pairwise coherences. The analysis was applied to resting-state fMRI data of 40 healthy young subjects to characterize the ventral visual system, motor system and default mode network (DMN). It was shown that the ventral visual system was predominantly composed of linear networks while the motor system and the DMN were composed of combined (nonlinear) networks. The ventral visual system exhibits its known temporal hierarchy, the motor system exhibits center ↔ out hierarchy and the DMN has dorsal ↔ ventral and anterior ↔ posterior organizations. The analysis can be applied in different disciplines such as seismology, or economy and in a variety of brain data including stimulus-driven fMRI, electrophysiology, EEG, and MEG, thus open new horizons in brain research. Hum Brain Mapp 38:1374-1386, 2017. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

Fragile X mental retardation protein recognizes a G quadruplex structure within the survival motor neuron domain containing 1 mRNA 5'-UTR.

Science.gov (United States)

McAninch, Damian S; Heinaman, Ashley M; Lang, Cara N; Moss, Kathryn R; Bassell, Gary J; Rita Mihailescu, Mihaela; Evans, Timothy L

2017-07-25

G quadruplex structures have been predicted by bioinformatics to form in the 5'- and 3'-untranslated regions (UTRs) of several thousand mature mRNAs and are believed to play a role in translation regulation. Elucidation of these roles has primarily been focused on the 3'-UTR, with limited focus on characterizing the G quadruplex structures and functions in the 5'-UTR. Investigation of the affinity and specificity of RNA binding proteins for 5'-UTR G quadruplexes and the resulting regulatory effects have also been limited. Among the mRNAs predicted to form a G quadruplex structure within the 5'-UTR is the survival motor neuron domain containing 1 (SMNDC1) mRNA, encoding a protein that is critical to the spliceosome. Additionally, this mRNA has been identified as a potential target of the fragile X mental retardation protein (FMRP), whose loss of expression leads to fragile X syndrome. FMRP is an RNA binding protein involved in translation regulation that has been shown to bind mRNA targets that form G quadruplex structures. In this study we have used biophysical methods to investigate G quadruplex formation in the 5'-UTR of SMNDC1 mRNA and analyzed its interactions with FMRP. Our results show that SMNDC1 mRNA 5'-UTR forms an intramolecular, parallel G quadruplex structure comprised of three G quartet planes, which is bound specifically by FMRP both in vitro and in mouse brain lysates. These findings suggest a model by which FMRP might regulate the translation of a subset of its mRNA targets by recognizing the G quadruplex structure present in their 5'-UTR, and affecting their accessibility by the protein synthesis machinery.

Prokaryotic Phylogenies Inferred from Whole-Genome Sequence and Annotation Data

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Wei Du

2013-01-01

Full Text Available Phylogenetic trees are used to represent the evolutionary relationship among various groups of species. In this paper, a novel method for inferring prokaryotic phylogenies using multiple genomic information is proposed. The method is called CGCPhy and based on the distance matrix of orthologous gene clusters between whole-genome pairs. CGCPhy comprises four main steps. First, orthologous genes are determined by sequence similarity, genomic function, and genomic structure information. Second, genes involving potential HGT events are eliminated, since such genes are considered to be the highly conserved genes across different species and the genes located on fragments with abnormal genome barcode. Third, we calculate the distance of the orthologous gene clusters between each genome pair in terms of the number of orthologous genes in conserved clusters. Finally, the neighbor-joining method is employed to construct phylogenetic trees across different species. CGCPhy has been examined on different datasets from 617 complete single-chromosome prokaryotic genomes and achieved applicative accuracies on different species sets in agreement with Bergey's taxonomy in quartet topologies. Simulation results show that CGCPhy achieves high average accuracy and has a low standard deviation on different datasets, so it has an applicative potential for phylogenetic analysis.

Multiple scattering theory and applications for intermediate energy reactions of nuclei

International Nuclear Information System (INIS)

Ludeking, L.D.

1979-01-01

Interactions of two composite clusters are treated in a multiple scattering framework whereby many-particle operators are decomposed into a systematic and finite series such that there is an ordered sequestering according to particle rank. Thus, an N-body operator is written as the superposition of all distinct groupings of interactions that occur between particle pairs, triplets, quartets, etc., such that all groupings contain at least one particle from each of the composite systems. It is demonstrated how the transition operator, a reaction operator, and an optical potential may be described in this context. The general structure of such decompositions is shown, and the connection to the standard multiple-scattering prescriptions, delineated. The direct reaction amplitude for stripping and pickup is described, and the two potential formula of Gell-Mann and Goldberger is derived. The multiple scattering formalism for direct reactions is constructed in the eikonal approximation. The sensitivity of the transition cross section to the target density and nucleon-nucleon density correlations are examined in this framework. The limitations of the zero-range approximation to the deuteron vertex function are examined by comparison with the finite-range vertex function at a range of energies. 25 figures, 5 tables

Three-body calculation of two-body threshold electrodisintegration of 3He and 3H

International Nuclear Information System (INIS)

Heimbach, C.R.; Lehman, D.R.; O'Connell, J.S.

1977-01-01

Threshold two-body electrodisintegration of 3 He and 3 H is investigated within the context of exact three-body theory. The calculations performed are based on the formalism of Gibson and Lehman. Careful consideration is given to the singularities of the disintegration Born amplitude for this case, since the momentum transfer is not zero, to assure validity of the numerical methods. Calculated results are compared with all the latest threshold 3 He electrodisintegration data which samples a range of scattered-electron angles, 92.6 0 0 , and incident electron energies, 40 MeV 0 3 H electrodisintegration for some of the same kinematics. The mechanism for the sharp rise as a function of excitation energy in the (e,e') cross section for theta/sub e/ approx. 90 0 due to the 2 S → 2 S monopole transition from Coulomb scattering is singled out by examination of the contributions to the Coulomb doublet amplitude. A similar analysis is carried out for the doublet and quartet transverse amplitudes where the 2 S → 4 P magnetic quadrupole transition dominates for excitation energies less than 20 MeV

RNA synthesis is modulated by G-quadruplex formation in Hepatitis C virus negative RNA strand.

Science.gov (United States)

Chloé, Jaubert; Amina, Bedrat; Laura, Bartolucci; Carmelo, Di Primo; Michel, Ventura; Jean-Louis, Mergny; Samir, Amrane; Marie-Line, Andreola

2018-05-25

DNA and RNA guanine-rich oligonucleotides can form non-canonical structures called G-quadruplexes or "G4" that are based on the stacking of G-quartets. The role of DNA and RNA G4 is documented in eukaryotic cells and in pathogens such as viruses. Yet, G4 have been identified only in a few RNA viruses, including the Flaviviridae family. In this study, we analysed the last 157 nucleotides at the 3'end of the HCV (-) strand. This sequence is known to be the minimal sequence required for an efficient RNA replication. Using bioinformatics and biophysics, we identified a highly conserved G4-prone sequence located in the stem-loop IIy' of the negative strand. We also showed that the formation of this G-quadruplex inhibits the in vitro RNA synthesis by the RdRp. Furthermore, Phen-DC3, a specific G-quadruplex binder, is able to inhibit HCV viral replication in cells in conditions where no cytotoxicity was measured. Considering that this domain of the negative RNA strand is well conserved among HCV genotypes, G4 ligands could be of interest for new antiviral therapies.

Electronic structures and water reactivity of mixed metal sulfide cluster anions

Energy Technology Data Exchange (ETDEWEB)

Saha, Arjun; Raghavachari, Krishnan [Department of Chemistry, Indiana University, Bloomington, Indiana 47405 (United States)

2014-08-21

The electronic structures and chemical reactivity of the mixed metal sulfide cluster anion (MoWS{sub 4}{sup −}) have been investigated with density functional theory. Our study reveals the presence of two almost isoenergetic structural isomers, both containing two bridging sulfur atoms in a quartet state. However, the arrangement of the terminal sulfur atoms is different in the two isomers. In one isomer, the two metals are in the same oxidation state (each attached to one terminal S). In the second isomer, the two metals are in different oxidation states (with W in the higher oxidation state attached to both terminal S). The reactivity of water with the two lowest energy isomers has also been studied, with an emphasis on pathways leading to H{sub 2} release. The reactive behavior of the two isomers is different though the overall barriers in both systems are small. The origin of the differences are analyzed and discussed. The reaction pathways and barriers are compared with the corresponding behavior of monometallic sulfides (Mo{sub 2}S{sub 4}{sup −} and W{sub 2}S{sub 4}{sup −}) as well as mixed metal oxides (MoWO{sub 4}{sup −})

Optimization of deconvolution software used in the study of spectra of soil samples from Madagascar

International Nuclear Information System (INIS)

ANDRIAMADY NARIMANANA, S.F.

2005-01-01

The aim of this work is to perform the deconvolution of gamma spectra by using the deconvolution peak program. Synthetic spectra, reference materials and ten soil samples with various U-238 activities from three regions of Madagascar were used. This work concerns : soil sample spectra with low activities of about (47±2) Bq.kg -1 from Ankatso, soil sample spectra with average activities of about (125±2)Bq.kg -1 from Antsirabe and soil sample spectra with high activities of about (21100± 120) Bq.kg -1 from Vinaninkarena. Singlet and multiplet peaks with various intensities were found in each soil spectrum. Interactive Peak Fit (IPF) program in Genie-PC from Canberra Industries allows to deconvoluate many multiplet regions : quartet within 235 keV-242 keV, Pb-214 and Pb-212 within 294 keV -301 keV; Th-232 daughters within 582 keV - 584 keV; Ac-228 within 904 keV -911 keV and within 964 keV-970 keV and Bi-214 within 1401 keV - 1408 keV. Those peaks were used to quantify considered radionuclides. However, IPF cannot resolve Ra-226 peak at 186,1 keV. [fr

The azido oxide N3O

International Nuclear Information System (INIS)

Petris, Giulia de; Troiani, Anna; Rosi, Marzio; Sgamellotti, Antonio; Cipollini, Romano

2012-01-01

Graphical abstract: N 3 O + ions prepared in the source of a mass spectrometer under low-pressure conditions are submitted to neutralization by collisional electron transfer, leading to the observation of the novel N 3 O oxide. Highlights: ► The study reports the positive detection in the gas phase of the novel azido oxide N 3 O. ► It has been prepared by collisional electron transfer to the N 3 O + ion and observed on a microsecond time scale. ► The oxide has been assigned a minimum lifetime of 0.7 μs and an open-chain structure of NNNO connectivity. ► The study examines the role of excited species in the formation of covalently bound ions suitable to neutralization. - Abstract: The new nitrogen-rich oxide N 3 O has been detected in the gas phase by mass spectrometric experiments. The radical has been assigned a minimum lifetime of 0.7 μs and an open-chain NNNO structure in the quartet state. Structures and energies of the N 3 O + precursor ion and the N 3 O radical have been investigated by ab initio calculations.

Dr. Franjo (Franz) Kresnik (1869-1943): a physician and a violin maker.

Science.gov (United States)

Skrobonja, Ante; Muzur, Amir

2007-01-01

Dr. Franjo (Franz) Kresnik (born Wien 1869 - died Rijeka 1943) was an excellent physician and a Central European intellectual, a bohemian mind whose two loves in life made him very special. His passions were medicine and violin making. Most of his life was spent in Susak (now a part of Rijeka, Croatia), where he worked, played music and studied the art of making stringed instruments. He visited Cremona on several occasions and studied a number of violins, drawings and tools made and used by old masters. For his profound knowledge of Cremonese violin making the Italians dubbed him "Uomo che legge violini" (The Man Who Can Read Violins). In his workshop he made fifty-two violins, two violas, two cellos and a string quartet. Some of these instruments are still played in Europe and America. The remaining violins and possessions (tools, manuscripts, drawings, literature and countless diplomas and certificates) have been kept in a memorial room at the Maritime and History Museum of the Croatian Littoral in Rijeka. In addition, a street near the Faculty of Medicine in Rijeka is named after Franjo Kresnik.

Lejaren A. Hiller, Jr.: A Memorial Tribute to a Chemist-Composer

Science.gov (United States)

Wamser, Christian A.; Wamser, Carl C.

1996-07-01

Lejaren Hiller (1924-1994) was trained in chemistry but maintained a lifelong love of music. Like Alexander Borodin, the Russian chemist-composer, but eventually dedicated his career solely to music. His early work on the chemistry of polymers with Fred Wall at the University of Illinois introduced him to the Illiac computer, with which he did Monte Carlo calculations of polymer conformations. He promptly collaborated with Leonard Isaacson, a graduate student also associated with the Wall group, to teach the Illiac to compose music. Using a modified Monte Carlo technique to select the notes and other aspects of the music, they applied increasingly complex rules to define what constituted acceptable music. The result was their String Quartet #4, produced in 1957, often called the Illiac Suite. It is generally acknowledged as the first piece of music composed by a computer. Hiller remained a pioneer in the field of copmuter composition during his distinguished career at the University of Illinois and the State University of New York at Buffalo. This paper traces Hiller's careers in chemistry and music and examines the connections between the two.

Toward the design of new DNA G-quadruplex ligands through rational analysis of polymorphism and binding data.

Science.gov (United States)

Artese, Anna; Costa, Giosuè; Distinto, Simona; Moraca, Federica; Ortuso, Francesco; Parrotta, Lucia; Alcaro, Stefano

2013-10-01

Human telomeres play a key role in protecting chromosomal ends from fusion events; they are composed of d(TTAGGG) repeats, ranging in size from 3 to 15 kb. They form G-quadruplex DNA structures, stabilized by G-quartets in the presence of cations, and are involved in several biological processes. In particular, a telomere maintenance mechanism is provided by a specialized enzyme called telomerase, a reverse transcriptase able to add multiple copies of the 5'-GGTTAG-3' motif to the end of the G-strand of the telomere and which is over-expressed in the majority of cancer cells. The central cation has a crucial role in maintaining the stability of the structure. Based on its nature, it can be associated with different topological telomeric quadruplexes, which depend also on the orientation of the DNA strands and the syn/anti conformation of the guanines. Such a polymorphism, confirmed by the different structures deposited in the Protein Data Bank (PDB), prompted us to apply a computational protocol in order to investigate the conformational properties of a set of known G-quadruplex ligands and their molecular recognition against six different experimental models of the human telomeric sequence d[AG3(T2AG3)3]. The average AutoDock correlation between theoretical and experimental data yielded an r2 value equal to 0.882 among all the studied models. Such a result was always improved with respect to those of the single folds, with the exception of the parallel structure (r2 equal to 0.886), thus suggesting a key role of this G4 conformation in the stacking interaction network. Among the studied binders, a trisubstituted acridine and a dibenzophenanthroline derivative were well recognized by the parallel and the mixed G-quadruplex structures, allowing the identification of specific key contacts with DNA and the further design of more potent or target specific G-quadruplex ligands. Copyright © 2013 Elsevier Masson SAS. All rights reserved.

Model-model Perencanaan Strategik

OpenAIRE

Amirin, Tatang M

2005-01-01

The process of strategic planning, used to be called as long-term planning, consists of several components, including strategic analysis, setting strategic direction (covering of mission, vision, and values), and action planning. Many writers develop models representing the steps of the strategic planning process, i.e. basic planning model, problem-based planning model, scenario model, and organic or self-organizing model.

Model-to-model interface for multiscale materials modeling

Energy Technology Data Exchange (ETDEWEB)

Antonelli, Perry Edward [Iowa State Univ., Ames, IA (United States)

2017-12-17

A low-level model-to-model interface is presented that will enable independent models to be linked into an integrated system of models. The interface is based on a standard set of functions that contain appropriate export and import schemas that enable models to be linked with no changes to the models themselves. These ideas are presented in the context of a specific multiscale material problem that couples atomistic-based molecular dynamics calculations to continuum calculations of fluid ow. These simulations will be used to examine the influence of interactions of the fluid with an adjacent solid on the fluid ow. The interface will also be examined by adding it to an already existing modeling code, Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) and comparing it with our own molecular dynamics code.

Models and role models.

Science.gov (United States)

ten Cate, Jacob M

2015-01-01

Developing experimental models to understand dental caries has been the theme in our research group. Our first, the pH-cycling model, was developed to investigate the chemical reactions in enamel or dentine, which lead to dental caries. It aimed to leverage our understanding of the fluoride mode of action and was also utilized for the formulation of oral care products. In addition, we made use of intra-oral (in situ) models to study other features of the oral environment that drive the de/remineralization balance in individual patients. This model addressed basic questions, such as how enamel and dentine are affected by challenges in the oral cavity, as well as practical issues related to fluoride toothpaste efficacy. The observation that perhaps fluoride is not sufficiently potent to reduce dental caries in the present-day society triggered us to expand our knowledge in the bacterial aetiology of dental caries. For this we developed the Amsterdam Active Attachment biofilm model. Different from studies on planktonic ('single') bacteria, this biofilm model captures bacteria in a habitat similar to dental plaque. With data from the combination of these models, it should be possible to study separate processes which together may lead to dental caries. Also products and novel agents could be evaluated that interfere with either of the processes. Having these separate models in place, a suggestion is made to design computer models to encompass the available information. Models but also role models are of the utmost importance in bringing and guiding research and researchers. 2015 S. Karger AG, Basel

Hydrological models are mediating models

Science.gov (United States)

Babel, L. V.; Karssenberg, D.

2013-08-01

Despite the increasing role of models in hydrological research and decision-making processes, only few accounts of the nature and function of models exist in hydrology. Earlier considerations have traditionally been conducted while making a clear distinction between physically-based and conceptual models. A new philosophical account, primarily based on the fields of physics and economics, transcends classes of models and scientific disciplines by considering models as "mediators" between theory and observations. The core of this approach lies in identifying models as (1) being only partially dependent on theory and observations, (2) integrating non-deductive elements in their construction, and (3) carrying the role of instruments of scientific enquiry about both theory and the world. The applicability of this approach to hydrology is evaluated in the present article. Three widely used hydrological models, each showing a different degree of apparent physicality, are confronted to the main characteristics of the "mediating models" concept. We argue that irrespective of their kind, hydrological models depend on both theory and observations, rather than merely on one of these two domains. Their construction is additionally involving a large number of miscellaneous, external ingredients, such as past experiences, model objectives, knowledge and preferences of the modeller, as well as hardware and software resources. We show that hydrological models convey the role of instruments in scientific practice by mediating between theory and the world. It results from these considerations that the traditional distinction between physically-based and conceptual models is necessarily too simplistic and refers at best to the stage at which theory and observations are steering model construction. The large variety of ingredients involved in model construction would deserve closer attention, for being rarely explicitly presented in peer-reviewed literature. We believe that devoting

Prevalence of multimorbidity in the Brazilian adult population according to socioeconomic and demographic characteristics.

Directory of Open Access Journals (Sweden)

Januse Nogueira de Carvalho

Full Text Available Knowledge on the occurrence of multimorbidity is important from the viewpoint of public policies, as this condition increases the consumption of medicines as well as the utilization and expenses of health services, affecting life quality of the population. The objective of this study was to estimate prevalence of self-reported multimorbidity in Brazilian adults (≥18 years old according to socioeconomic and demographic characteristics. A descriptive study is presented herein, based on data from the National Health Survey, which was a household-based survey carried out in Brazil in 2013. Data on 60,202 adult participants over the age of 18 were included. Prevalences and its respective confidence intervals (95% were estimated according to sex, age, education level, marital status, self-reported skin color, area of residence, occupation and federative units (states. Poisson regression models univariate and multivariate were used to evaluate the association between socioeconomic and demographic variables with multimorbidity. To observe the combinations of chronic conditions the most common groups in pairs, trios, quartets and quintets of chronic diseases were observed. The prevalence of multimorbidity was 23.6% and was higher among women, in individuals over 60 years of age, people with low educational levels, people living with partner, in urban areas and among unemployed persons. The states of the South and Southeast regions presented higher prevalence. The most common groups of chronic diseases were metabolic and musculoskeletal diseases. The results demonstrated high prevalence of multimorbidity in Brazil. The study also revealed that a considerable share of the economically active population presented two or more chronic diseases. Data of this research indicated that socioeconomic and demographic aspects must be considered during the planning of health services and development of prevention and treatment strategies for chronic diseases, and

A twice-as-smart synthetic G-quartet: PyroTASQ is both a smart quadruplex ligand and a smart fluorescent probe.

Science.gov (United States)

Laguerre, Aurélien; Stefan, Loic; Larrouy, Manuel; Genest, David; Novotna, Jana; Pirrotta, Marc; Monchaud, David

2014-09-03

Recent and unambiguous evidences of the formation of DNA and RNA G-quadruplexes in cells has provided solid support for these structures to be considered as valuable targets in oncology. Beyond this, they have lent further credence to the anticancer strategies relying on small molecules that selectively target these higher-order DNA/RNA architectures, referred to as G-quadruplex ligands. They have also shed bright light on the necessity of designing multitasking ligands, displaying not only enticing quadruplex interacting properties (affinity, structural selectivity) but also additional features that make them usable for detecting quadruplexes in living cells, notably for determining whether, when, and where these structures fold and unfold during the cell cycle and also for better assessing the consequences of their stabilization by external agents. Herein, we report a brand new design of such multitasking ligands, whose structure experiences a quadruplex-promoted conformational switch that triggers not only its quadruplex affinity (i.e., smart ligands, which display high affinity and selectivity for DNA/RNA quadruplexes) but also its fluorescence (i.e., smart probes, which behave as selective light-up fluorescent reporters on the basis of a fluorogenic electron redistribution). The first prototype of such multifunctional ligands, termed PyroTASQ, represents a brand new generation of quadruplex ligands that can be referred to as "twice-as-smart" quadruplex ligands.

Whole-exome re-sequencing in a family quartet identifies POP1 mutations as the cause of a novel skeletal dysplasia.

Directory of Open Access Journals (Sweden)

Evgeny A Glazov

2011-03-01

Full Text Available Recent advances in DNA sequencing have enabled mapping of genes for monogenic traits in families with small pedigrees and even in unrelated cases. We report the identification of disease-causing mutations in a rare, severe, skeletal dysplasia, studying a family of two healthy unrelated parents and two affected children using whole-exome sequencing. The two affected daughters have clinical and radiographic features suggestive of anauxetic dysplasia (OMIM 607095, a rare form of dwarfism caused by mutations of RMRP. However, mutations of RMRP were excluded in this family by direct sequencing. Our studies identified two novel compound heterozygous loss-of-function mutations in POP1, which encodes a core component of the RNase mitochondrial RNA processing (RNase MRP complex that directly interacts with the RMRP RNA domains that are affected in anauxetic dysplasia. We demonstrate that these mutations impair the integrity and activity of this complex and that they impair cell proliferation, providing likely molecular and cellular mechanisms by which POP1 mutations cause this severe skeletal dysplasia.

Bruce's Magnificent Quartet: Inquiry, Community, Technology and Literacy--Implications for Renewing Qualitative Research in the Twenty-First Century

Science.gov (United States)

Davidson, Judith

2014-01-01

Bruce and Bishop's community informatics work brings forward four critical concepts: inquiry, community, technology, and literacy. These four terms serve as the basis for a discussion of qualitative research in the twenty-first century--what is lacking and what is needed. The author suggests that to resolve the tensions or challenges…

Modeling Documents with Event Model

Directory of Open Access Journals (Sweden)

Longhui Wang

2015-08-01

Full Text Available Currently deep learning has made great breakthroughs in visual and speech processing, mainly because it draws lessons from the hierarchical mode that brain deals with images and speech. In the field of NLP, a topic model is one of the important ways for modeling documents. Topic models are built on a generative model that clearly does not match the way humans write. In this paper, we propose Event Model, which is unsupervised and based on the language processing mechanism of neurolinguistics, to model documents. In Event Model, documents are descriptions of concrete or abstract events seen, heard, or sensed by people and words are objects in the events. Event Model has two stages: word learning and dimensionality reduction. Word learning is to learn semantics of words based on deep learning. Dimensionality reduction is the process that representing a document as a low dimensional vector by a linear mode that is completely different from topic models. Event Model achieves state-of-the-art results on document retrieval tasks.

Semiparametric modeling: Correcting low-dimensional model error in parametric models

International Nuclear Information System (INIS)

Berry, Tyrus; Harlim, John

2016-01-01

In this paper, a semiparametric modeling approach is introduced as a paradigm for addressing model error arising from unresolved physical phenomena. Our approach compensates for model error by learning an auxiliary dynamical model for the unknown parameters. Practically, the proposed approach consists of the following steps. Given a physics-based model and a noisy data set of historical observations, a Bayesian filtering algorithm is used to extract a time-series of the parameter values. Subsequently, the diffusion forecast algorithm is applied to the retrieved time-series in order to construct the auxiliary model for the time evolving parameters. The semiparametric forecasting algorithm consists of integrating the existing physics-based model with an ensemble of parameters sampled from the probability density function of the diffusion forecast. To specify initial conditions for the diffusion forecast, a Bayesian semiparametric filtering method that extends the Kalman-based filtering framework is introduced. In difficult test examples, which introduce chaotically and stochastically evolving hidden parameters into the Lorenz-96 model, we show that our approach can effectively compensate for model error, with forecasting skill comparable to that of the perfect model.

Vector models and generalized SYK models

Energy Technology Data Exchange (ETDEWEB)

Peng, Cheng [Department of Physics, Brown University,Providence RI 02912 (United States)

2017-05-23

We consider the relation between SYK-like models and vector models by studying a toy model where a tensor field is coupled with a vector field. By integrating out the tensor field, the toy model reduces to the Gross-Neveu model in 1 dimension. On the other hand, a certain perturbation can be turned on and the toy model flows to an SYK-like model at low energy. A chaotic-nonchaotic phase transition occurs as the sign of the perturbation is altered. We further study similar models that possess chaos and enhanced reparameterization symmetries.

[Bone remodeling and modeling/mini-modeling.

Science.gov (United States)

Hasegawa, Tomoka; Amizuka, Norio

Modeling, adapting structures to loading by changing bone size and shapes, often takes place in bone of the fetal and developmental stages, while bone remodeling-replacement of old bone into new bone-is predominant in the adult stage. Modeling can be divided into macro-modeling(macroscopic modeling)and mini-modeling(microscopic modeling). In the cellular process of mini-modeling, unlike bone remodeling, bone lining cells, i.e., resting flattened osteoblasts covering bone surfaces will become active form of osteoblasts, and then, deposit new bone onto the old bone without mediating osteoclastic bone resorption. Among the drugs for osteoporotic treatment, eldecalcitol(a vitamin D3 analog)and teriparatide(human PTH[1-34])could show mini-modeling based bone formation. Histologically, mature, active form of osteoblasts are localized on the new bone induced by mini-modeling, however, only a few cell layer of preosteoblasts are formed over the newly-formed bone, and accordingly, few osteoclasts are present in the region of mini-modeling. In this review, histological characteristics of bone remodeling and modeling including mini-modeling will be introduced.

ROCK PROPERTIES MODEL ANALYSIS MODEL REPORT

International Nuclear Information System (INIS)

Clinton Lum

2002-01-01

The purpose of this Analysis and Model Report (AMR) is to document Rock Properties Model (RPM) 3.1 with regard to input data, model methods, assumptions, uncertainties and limitations of model results, and qualification status of the model. The report also documents the differences between the current and previous versions and validation of the model. The rock properties models are intended principally for use as input to numerical physical-process modeling, such as of ground-water flow and/or radionuclide transport. The constraints, caveats, and limitations associated with this model are discussed in the appropriate text sections that follow. This work was conducted in accordance with the following planning documents: WA-0344, ''3-D Rock Properties Modeling for FY 1998'' (SNL 1997, WA-0358), ''3-D Rock Properties Modeling for FY 1999'' (SNL 1999), and the technical development plan, Rock Properties Model Version 3.1, (CRWMS MandO 1999c). The Interim Change Notice (ICNs), ICN 02 and ICN 03, of this AMR were prepared as part of activities being conducted under the Technical Work Plan, TWP-NBS-GS-000003, ''Technical Work Plan for the Integrated Site Model, Process Model Report, Revision 01'' (CRWMS MandO 2000b). The purpose of ICN 03 is to record changes in data input status due to data qualification and verification activities. These work plans describe the scope, objectives, tasks, methodology, and implementing procedures for model construction. The constraints, caveats, and limitations associated with this model are discussed in the appropriate text sections that follow. The work scope for this activity consists of the following: (1) Conversion of the input data (laboratory measured porosity data, x-ray diffraction mineralogy, petrophysical calculations of bound water, and petrophysical calculations of porosity) for each borehole into stratigraphic coordinates; (2) Re-sampling and merging of data sets; (3) Development of geostatistical simulations of porosity; (4

Serendipitous discovery of quadruply imaged quasars: two diamonds

Science.gov (United States)

Lucey, John R.; Schechter, Paul L.; Smith, Russell J.; Anguita, T.

2018-05-01

Gravitationally lensed quasars are powerful and versatile astrophysical tools, but they are challengingly rare. In particular, only ˜25 well-characterized quadruple systems are known to date. To refine the target catalogue for the forthcoming Taipan Galaxy Survey, the images of a large number of sources are being visually inspected in order to identify objects that are confused by a foreground star or galaxies that have a distinct multicomponent structure. An unexpected by-product of this work has been the serendipitous discovery of about a dozen galaxies that appear to be lensing quasars, i.e. pairs or quartets of foreground stellar objects in close proximity to the target source. Here, we report two diamond-shaped systems. Follow-up spectroscopy with the IMACS instrument on the 6.5m Magellan Baade telescope confirms one of these as a z = 1.975 quasar quadruply lensed by a double galaxy at z = 0.293. Photometry from publicly available survey images supports the conclusion that the other system is a highly sheared quadruply imaged quasar. In starting with objects thought to be galaxies, our lens finding technique complements the conventional approach of first identifying sources with quasar-like colours and subsequently finding evidence of lensing.

Generalization of the Numerov method for solution of N-d breakup problem in configuration space

International Nuclear Information System (INIS)

Suslov, V.M.; Vlahovic, B.

2004-01-01

A new computational method for solving the configuration-space Faddeev equations for three-nucleon systems has been developed. This method is based on the spline decomposition in the angular variable and a generalization of the Numerov method for the hyperradius. The s-wave calculations of the inelasticity and phase shift as well as breakup amplitudes for n-d and p-d breakup scatterings for lab energies 14.1 and 42.0 MeV were performed with the Malfliet-Tjon I-III potential. In the case of n-d breakup scattering the results are in good agreement with those of the benchmark solution [J. L. Friar, B. F. Gibson, G. Berthold, W. Gloeckle, Th. Cornelius, H. Witala, J. Haidenbauer, Y. Koike, G. L. Payne, J. A. Tjon, and W. M. Kloet, Phys. Rev. C 42, 1838 (1990); J. L. Friar, G. L. Payne, W. Gloeckle, D. Hueber, and H. Witala, Phys. Rev. C 51, 2356 (1995)]. In the case of p-d quartet breakup scattering disagreement for the inelasticities reaches up to 6% as compared with those of the Pisa group [A. Kievsky, M. Viviani, and S. Rosati, Phys. Rev. C 64, 024002 (2001)]. The calculated p-d amplitudes fulfill the optical theorem with a good precision

"Os quatro cavaleiros de um íntimo apocalipse" e suas biografias vicárias: Fernando Sabino, Otto Lara Resende, Hélio Pellegrino e Paulo Mendes Campos na escrita de perfis

Directory of Open Access Journals (Sweden)

Gabriela Kvacek Betella

2007-08-01

Full Text Available Fernando Sabino, Otto Lara Resende, Hélio Pellegrino e Paulo Mendes Campos traçaram retratos de pessoas com as quais conviveram ao longo de suas vidas por meio de perfis concisos, seja na forma de elegias seja mesmo de necrológios. Embora esses textos sejam imprescindíveis para fundamentar o estilo de cada um dos escritores mineiros, eles também carregam a síntese de cada experiência pessoal, que é fundamental para a análise da crônica, gênero que o quarteto praticou e no qual podem ser enquadrados os perfis examinados neste ensaio.Fernando Sabino, Otto Lara Resende, Hélio Pellegrino and Paulo Mendes Campos wrote portraits of people with whom they were intimate along their lives by means of short profiles, either in the form of elegies or even of necrologies. Although these texts are necessary in order to set up the style of each one of these writers from Minas Gerais, they also carry the synthesis of each personal experience, which is fundamental for the analysis of the chronicle, a literary genre that the quartet of writers practiced and within which the profiles examined in this essay can be classified.

Low-lying electronic states of the OH radical: potential energy curves, dipole moment functions, and transition probabilities

Energy Technology Data Exchange (ETDEWEB)

Qin, X.; Zhang, S. D. [Qufu Normal University, Qufu (China)

2014-12-15

The six doublet and the two quartet electronic states ({sup 2}Σ{sup +}(2), {sup 2}Σ{sup -}, {sup 2}Π(2), {sup 2}Δ, {sup 4}Σ{sup -}, and {sup 4}Π) of the OH radical have been studied using the multi-reference configuration interaction (MRCI) method where the Davidson correction, core-valence interaction and relativistic effect are considered with large basis sets of aug-cc-pv5z, aug-cc-pcv5z, and cc-pv5z-DK, respectively. Potential energy curves (PECs) and dipole moment functions are also calculated for these states for internuclear distances ranging from 0.05 nm to 0.80 nm. All possible vibrational levels and rotational constants for the bound state X{sup 2}Π and A{sup 2}Σ{sup +} of OH are predicted by numerical solving the radial Schroedinger equation through the Level program, and spectroscopic parameters, which are in good agreements with experimental results, are obtained. Transition dipole moments between the ground state X{sup 2}Π and other excited states are also computed using MRCI, and the transition probability, lifetime, and Franck-Condon factors for the A{sup 2}Σ{sup +} - X{sup 2}Π transition are discussed and compared with existing experimental values.

Phylogeny of Eleusine (Poaceae: Chloridoideae) based on nuclear ITS and plastid trnT-trnF sequences.

Science.gov (United States)

Neves, Susana S; Swire-Clark, Ginger; Hilu, Khidir W; Baird, Wm Vance

2005-05-01

Phylogenetic relationships in the genus Eleusine (Poaceae: Chloridoideae) were investigated using nuclear ITS and plastid trnT-trnF sequences. Separate and combined data sets were analyzed using parsimony, distance, and likelihood based methods, including Bayesian. Data congruence was examined using character and topological measures. Significant data heterogeneity was detected, but there was little conflict in the topological substructure measures for triplets and quartets, and resolution and clade support increased in the combined analysis. Data incongruence may be a result of noise and insufficient information in the slower evolving trnT-trnF. Monophyly of Eleusine is strongly supported in all analyses, but basal relationships in the genus remain uncertain. There is good support for a CAIK clade (E. coracana subsp. coracana and africana, E. indica, and E. kigeziensis), with E. tristachya as its sister group. Two putative ITS homeologues (A and B loci) were identified in the allotetraploid E. coracana; the 'B' locus sequence type was not found in the remaining species. Eleusine coracana and its putative 'A' genome donor, the diploid E. indica, are confirmed close allies, but sequence data contradicts the hypothesis that E. floccifolia is its second genome donor. The 'B' genome donor remains unidentified and may be extinct.

Integrative taxonomy of ciliates: Assessment of molecular phylogenetic content and morphological homology testing.

Science.gov (United States)

Vďačný, Peter

2017-10-01

The very diverse and comparatively complex morphology of ciliates has given rise to numerous taxonomic concepts. However, the information content of the utilized molecular markers has seldom been explored prior to phylogenetic analyses and taxonomic decisions. Likewise, robust testing of morphological homology statements and the apomorphic nature of diagnostic characters of ciliate taxa is rarely carried out. Four phylogenetic techniques that may help address these issues are reviewed. (1) Split spectrum analysis serves to determine the exact number and quality of nucleotide positions supporting individual nodes in phylogenetic trees and to discern long-branch artifacts that cause spurious phylogenies. (2) Network analysis can depict all possible evolutionary trajectories inferable from the dataset and locate and measure the conflict between them. (3) A priori likelihood mapping tests the suitability of data for reconstruction of a well resolved tree, visualizes the tree-likeness of quartets, and assesses the support of an internal branch of a given tree topology. (4) Reconstruction of ancestral morphologies can be applied for analyzing homology and apomorphy statements without circular reasoning. Since these phylogenetic tools are rarely used, their principles and interpretation are introduced and exemplified using various groups of ciliates. Finally, environmental sequencing data are discussed in this light. Copyright © 2017 The Author. Published by Elsevier GmbH.. All rights reserved.

Navigating the Path of Totality - Results and Lessons Learned from the 2017 Eclipse Broadcast, Webcast, Mobile App and Online Production

Science.gov (United States)

Semper, R.; Higdon, R.

2017-12-01

The 2017 total solar eclipse provided unique opportunity to provide public outreach about astronomy, heliophysics, and scientific discovery. The Navigating the Path of Totality project was designed to produce eclipse related educational resources including live video feeds and distribute them to museums, schools, libraries and the public through online and broadcast media. Using special telescope video camera setups, five feeds were produced including a live one hour English program and in parallel a live one hour Spanish program from Casper, WY with a cutaway to Madras, OR, complete (C1-C4) telescope only feeds from both Madras, OR and Casper, Wy, and a complete (C1-C4) telescope only feed with live musical sonification and accompaniment by the Kronos Quartet. Images from the live feeds were made available on the NASA Website, NASA TV, Exploratorium website, Exploratorium Solar Eclipse mobile app, local television and in museums, libraries and schools worldwide. Associated educational video material including images from the 2016 total eclipse from Micronesia was produced and disseminated. In this talk we will discuss the evaluation results including an examination of the effectiveness of the digital strategy of many mobile channels and mobile apps using different analytics including IBM Watson social media analytics services. We will also present the lessons learned from the project.

The role of alkali metal cations in the stabilization of guanine quadruplexes: why K(+) is the best.

Science.gov (United States)

Zaccaria, F; Paragi, G; Fonseca Guerra, C

2016-08-21

The alkali metal ion affinity of guanine quadruplexes has been studied using dispersion-corrected density functional theory (DFT-D). We have done computational investigations in aqueous solution that mimics artificial supramolecular conditions where guanine bases assemble into stacked quartets as well as biological environments in which telomeric quadruplexes are formed. In both cases, an alkali metal cation is needed to assist self-assembly. Our quantum chemical computations on these supramolecular systems are able to reproduce the experimental order of affinity of the guanine quadruplexes for the cations Li(+), Na(+), K(+), Rb(+), and Cs(+). The strongest binding is computed between the potassium cation and the quadruplex as it occurs in nature. The desolvation and the size of alkali metal cations are thought to be responsible for the order of affinity. Until now, the relative importance of these two factors has remained unclear and debated. By assessing the quantum chemical 'size' of the cation, determining the amount of deformation of the quadruplex needed to accommodate the cation and through the energy decomposition analysis (EDA) of the interaction energy between the cation and the guanines, we reveal that the desolvation and size of the alkali metal cation are both almost equally responsible for the order of affinity.

Automated protein structure modeling with SWISS-MODEL Workspace and the Protein Model Portal.

Science.gov (United States)

Bordoli, Lorenza; Schwede, Torsten

2012-01-01

Comparative protein structure modeling is a computational approach to build three-dimensional structural models for proteins using experimental structures of related protein family members as templates. Regular blind assessments of modeling accuracy have demonstrated that comparative protein structure modeling is currently the most reliable technique to model protein structures. Homology models are often sufficiently accurate to substitute for experimental structures in a wide variety of applications. Since the usefulness of a model for specific application is determined by its accuracy, model quality estimation is an essential component of protein structure prediction. Comparative protein modeling has become a routine approach in many areas of life science research since fully automated modeling systems allow also nonexperts to build reliable models. In this chapter, we describe practical approaches for automated protein structure modeling with SWISS-MODEL Workspace and the Protein Model Portal.

Geologic Framework Model Analysis Model Report

Energy Technology Data Exchange (ETDEWEB)

R. Clayton

2000-12-19

The purpose of this report is to document the Geologic Framework Model (GFM), Version 3.1 (GFM3.1) with regard to data input, modeling methods, assumptions, uncertainties, limitations, and validation of the model results, qualification status of the model, and the differences between Version 3.1 and previous versions. The GFM represents a three-dimensional interpretation of the stratigraphy and structural features of the location of the potential Yucca Mountain radioactive waste repository. The GFM encompasses an area of 65 square miles (170 square kilometers) and a volume of 185 cubic miles (771 cubic kilometers). The boundaries of the GFM were chosen to encompass the most widely distributed set of exploratory boreholes (the Water Table or WT series) and to provide a geologic framework over the area of interest for hydrologic flow and radionuclide transport modeling through the unsaturated zone (UZ). The depth of the model is constrained by the inferred depth of the Tertiary-Paleozoic unconformity. The GFM was constructed from geologic map and borehole data. Additional information from measured stratigraphy sections, gravity profiles, and seismic profiles was also considered. This interim change notice (ICN) was prepared in accordance with the Technical Work Plan for the Integrated Site Model Process Model Report Revision 01 (CRWMS M&O 2000). The constraints, caveats, and limitations associated with this model are discussed in the appropriate text sections that follow. The GFM is one component of the Integrated Site Model (ISM) (Figure l), which has been developed to provide a consistent volumetric portrayal of the rock layers, rock properties, and mineralogy of the Yucca Mountain site. The ISM consists of three components: (1) Geologic Framework Model (GFM); (2) Rock Properties Model (RPM); and (3) Mineralogic Model (MM). The ISM merges the detailed project stratigraphy into model stratigraphic units that are most useful for the primary downstream models and the

Geologic Framework Model Analysis Model Report

International Nuclear Information System (INIS)

Clayton, R.

2000-01-01

The purpose of this report is to document the Geologic Framework Model (GFM), Version 3.1 (GFM3.1) with regard to data input, modeling methods, assumptions, uncertainties, limitations, and validation of the model results, qualification status of the model, and the differences between Version 3.1 and previous versions. The GFM represents a three-dimensional interpretation of the stratigraphy and structural features of the location of the potential Yucca Mountain radioactive waste repository. The GFM encompasses an area of 65 square miles (170 square kilometers) and a volume of 185 cubic miles (771 cubic kilometers). The boundaries of the GFM were chosen to encompass the most widely distributed set of exploratory boreholes (the Water Table or WT series) and to provide a geologic framework over the area of interest for hydrologic flow and radionuclide transport modeling through the unsaturated zone (UZ). The depth of the model is constrained by the inferred depth of the Tertiary-Paleozoic unconformity. The GFM was constructed from geologic map and borehole data. Additional information from measured stratigraphy sections, gravity profiles, and seismic profiles was also considered. This interim change notice (ICN) was prepared in accordance with the Technical Work Plan for the Integrated Site Model Process Model Report Revision 01 (CRWMS M and O 2000). The constraints, caveats, and limitations associated with this model are discussed in the appropriate text sections that follow. The GFM is one component of the Integrated Site Model (ISM) (Figure l), which has been developed to provide a consistent volumetric portrayal of the rock layers, rock properties, and mineralogy of the Yucca Mountain site. The ISM consists of three components: (1) Geologic Framework Model (GFM); (2) Rock Properties Model (RPM); and (3) Mineralogic Model (MM). The ISM merges the detailed project stratigraphy into model stratigraphic units that are most useful for the primary downstream models and

Model(ing) Law

DEFF Research Database (Denmark)

Carlson, Kerstin

The International Criminal Tribunal for the former Yugoslavia (ICTY) was the first and most celebrated of a wave of international criminal tribunals (ICTs) built in the 1990s designed to advance liberalism through international criminal law. Model(ing) Justice examines the case law of the ICTY...

Comparisons of Multilevel Modeling and Structural Equation Modeling Approaches to Actor-Partner Interdependence Model.

Science.gov (United States)

Hong, Sehee; Kim, Soyoung

2018-01-01

There are basically two modeling approaches applicable to analyzing an actor-partner interdependence model: the multilevel modeling (hierarchical linear model) and the structural equation modeling. This article explains how to use these two models in analyzing an actor-partner interdependence model and how these two approaches work differently. As an empirical example, marital conflict data were used to analyze an actor-partner interdependence model. The multilevel modeling and the structural equation modeling produced virtually identical estimates for a basic model. However, the structural equation modeling approach allowed more realistic assumptions on measurement errors and factor loadings, rendering better model fit indices.

Translating building information modeling to building energy modeling using model view definition.

Science.gov (United States)

Jeong, WoonSeong; Kim, Jong Bum; Clayton, Mark J; Haberl, Jeff S; Yan, Wei

2014-01-01

This paper presents a new approach to translate between Building Information Modeling (BIM) and Building Energy Modeling (BEM) that uses Modelica, an object-oriented declarative, equation-based simulation environment. The approach (BIM2BEM) has been developed using a data modeling method to enable seamless model translations of building geometry, materials, and topology. Using data modeling, we created a Model View Definition (MVD) consisting of a process model and a class diagram. The process model demonstrates object-mapping between BIM and Modelica-based BEM (ModelicaBEM) and facilitates the definition of required information during model translations. The class diagram represents the information and object relationships to produce a class package intermediate between the BIM and BEM. The implementation of the intermediate class package enables system interface (Revit2Modelica) development for automatic BIM data translation into ModelicaBEM. In order to demonstrate and validate our approach, simulation result comparisons have been conducted via three test cases using (1) the BIM-based Modelica models generated from Revit2Modelica and (2) BEM models manually created using LBNL Modelica Buildings library. Our implementation shows that BIM2BEM (1) enables BIM models to be translated into ModelicaBEM models, (2) enables system interface development based on the MVD for thermal simulation, and (3) facilitates the reuse of original BIM data into building energy simulation without an import/export process.

Translating Building Information Modeling to Building Energy Modeling Using Model View Definition

Directory of Open Access Journals (Sweden)

WoonSeong Jeong

2014-01-01

Full Text Available This paper presents a new approach to translate between Building Information Modeling (BIM and Building Energy Modeling (BEM that uses Modelica, an object-oriented declarative, equation-based simulation environment. The approach (BIM2BEM has been developed using a data modeling method to enable seamless model translations of building geometry, materials, and topology. Using data modeling, we created a Model View Definition (MVD consisting of a process model and a class diagram. The process model demonstrates object-mapping between BIM and Modelica-based BEM (ModelicaBEM and facilitates the definition of required information during model translations. The class diagram represents the information and object relationships to produce a class package intermediate between the BIM and BEM. The implementation of the intermediate class package enables system interface (Revit2Modelica development for automatic BIM data translation into ModelicaBEM. In order to demonstrate and validate our approach, simulation result comparisons have been conducted via three test cases using (1 the BIM-based Modelica models generated from Revit2Modelica and (2 BEM models manually created using LBNL Modelica Buildings library. Our implementation shows that BIM2BEM (1 enables BIM models to be translated into ModelicaBEM models, (2 enables system interface development based on the MVD for thermal simulation, and (3 facilitates the reuse of original BIM data into building energy simulation without an import/export process.

Models Archive and ModelWeb at NSSDC

Science.gov (United States)

Bilitza, D.; Papitashvili, N.; King, J. H.

2002-05-01

In addition to its large data holdings, NASA's National Space Science Data Center (NSSDC) also maintains an archive of space physics models for public use (ftp://nssdcftp.gsfc.nasa.gov/models/). The more than 60 model entries cover a wide range of parameters from the atmosphere, to the ionosphere, to the magnetosphere, to the heliosphere. The models are primarily empirical models developed by the respective model authors based on long data records from ground and space experiments. An online model catalog (http://nssdc.gsfc.nasa.gov/space/model/) provides information about these and other models and links to the model software if available. We will briefly review the existing model holdings and highlight some of its usages and users. In response to a growing need by the user community, NSSDC began to develop web-interfaces for the most frequently requested models. These interfaces enable users to compute and plot model parameters online for the specific conditions that they are interested in. Currently included in the Modelweb system (http://nssdc.gsfc.nasa.gov/space/model/) are the following models: the International Reference Ionosphere (IRI) model, the Mass Spectrometer Incoherent Scatter (MSIS) E90 model, the International Geomagnetic Reference Field (IGRF) and the AP/AE-8 models for the radiation belt electrons and protons. User accesses to both systems have been steadily increasing over the last years with occasional spikes prior to large scientific meetings. The current monthly rate is between 5,000 to 10,000 accesses for either system; in February 2002 13,872 accesses were recorded to the Modelsweb and 7092 accesses to the models archive.

Modelling the models

CERN Multimedia

Anaïs Schaeffer

2012-01-01

By analysing the production of mesons in the forward region of LHC proton-proton collisions, the LHCf collaboration has provided key information needed to calibrate extremely high-energy cosmic ray models.   Average transverse momentum (pT) as a function of rapidity loss ∆y. Black dots represent LHCf data and the red diamonds represent SPS experiment UA7 results. The predictions of hadronic interaction models are shown by open boxes (sibyll 2.1), open circles (qgsjet II-03) and open triangles (epos 1.99). Among these models, epos 1.99 shows the best overall agreement with the LHCf data. LHCf is dedicated to the measurement of neutral particles emitted at extremely small angles in the very forward region of LHC collisions. Two imaging calorimeters – Arm1 and Arm2 – take data 140 m either side of the ATLAS interaction point. “The physics goal of this type of analysis is to provide data for calibrating the hadron interaction models – the well-known &...

Model Manipulation for End-User Modelers

DEFF Research Database (Denmark)

Acretoaie, Vlad

, and transformations using their modeling notation and editor of choice. The VM* languages are implemented via a single execution engine, the VM* Runtime, built on top of the Henshin graph-based transformation engine. This approach combines the benefits of flexibility, maturity, and formality. To simplify model editor......End-user modelers are domain experts who create and use models as part of their work. They are typically not Software Engineers, and have little or no programming and meta-modeling experience. However, using model manipulation languages developed in the context of Model-Driven Engineering often...... requires such experience. These languages are therefore only used by a small subset of the modelers that could, in theory, benefit from them. The goals of this thesis are to substantiate this observation, introduce the concepts and tools required to overcome it, and provide empirical evidence in support...

Modeling energy-economy interactions using integrated models

International Nuclear Information System (INIS)

Uyterlinde, M.A.

1994-06-01

Integrated models are defined as economic energy models that consist of several submodels, either coupled by an interface module, or embedded in one large model. These models can be used for energy policy analysis. Using integrated models yields the following benefits. They provide a framework in which energy-economy interactions can be better analyzed than in stand-alone models. Integrated models can represent both energy sector technological details, as well as the behaviour of the market and the role of prices. Furthermore, the combination of modeling methodologies in one model can compensate weaknesses of one approach with strengths of another. These advantages motivated this survey of the class of integrated models. The purpose of this literature survey therefore was to collect and to present information on integrated models. To carry out this task, several goals were identified. The first goal was to give an overview of what is reported on these models in general. The second one was to find and describe examples of such models. Other goals were to find out what kinds of models were used as component models, and to examine the linkage methodology. Solution methods and their convergence properties were also a subject of interest. The report has the following structure. In chapter 2, a 'conceptual framework' is given. In chapter 3 a number of integrated models is described. In a table, a complete overview is presented of all described models. Finally, in chapter 4, the report is summarized, and conclusions are drawn regarding the advantages and drawbacks of integrated models. 8 figs., 29 refs

On the role of model structure in hydrological modeling : Understanding models

NARCIS (Netherlands)

Gharari, S.

2016-01-01

Modeling is an essential part of the science of hydrology. Models enable us to formulate what we know and perceive from the real world into a neat package. Rainfall-runoff models are abstract simplifications of how a catchment works. Within the research field of scientific rainfall-runoff modeling,

Evolution of computational models in BioModels Database and the Physiome Model Repository.

Science.gov (United States)

Scharm, Martin; Gebhardt, Tom; Touré, Vasundra; Bagnacani, Andrea; Salehzadeh-Yazdi, Ali; Wolkenhauer, Olaf; Waltemath, Dagmar

2018-04-12

A useful model is one that is being (re)used. The development of a successful model does not finish with its publication. During reuse, models are being modified, i.e. expanded, corrected, and refined. Even small changes in the encoding of a model can, however, significantly affect its interpretation. Our motivation for the present study is to identify changes in models and make them transparent and traceable. We analysed 13734 models from BioModels Database and the Physiome Model Repository. For each model, we studied the frequencies and types of updates between its first and latest release. To demonstrate the impact of changes, we explored the history of a Repressilator model in BioModels Database. We observed continuous updates in the majority of models. Surprisingly, even the early models are still being modified. We furthermore detected that many updates target annotations, which improves the information one can gain from models. To support the analysis of changes in model repositories we developed MoSt, an online tool for visualisations of changes in models. The scripts used to generate the data and figures for this study are available from GitHub https://github.com/binfalse/BiVeS-StatsGenerator and as a Docker image at https://hub.docker.com/r/binfalse/bives-statsgenerator/ . The website https://most.bio.informatik.uni-rostock.de/ provides interactive access to model versions and their evolutionary statistics. The reuse of models is still impeded by a lack of trust and documentation. A detailed and transparent documentation of all aspects of the model, including its provenance, will improve this situation. Knowledge about a model's provenance can avoid the repetition of mistakes that others already faced. More insights are gained into how the system evolves from initial findings to a profound understanding. We argue that it is the responsibility of the maintainers of model repositories to offer transparent model provenance to their users.

Model documentation report: Transportation sector model of the National Energy Modeling System

Energy Technology Data Exchange (ETDEWEB)

1994-03-01

This report documents the objectives, analytical approach and development of the National Energy Modeling System (NEMS) Transportation Model (TRAN). The report catalogues and describes the model assumptions, computational methodology, parameter estimation techniques, model source code, and forecast results generated by the model. This document serves three purposes. First, it is a reference document providing a detailed description of TRAN for model analysts, users, and the public. Second, this report meets the legal requirements of the Energy Information Administration (EIA) to provide adequate documentation in support of its statistical and forecast reports (Public Law 93-275, 57(b)(1)). Third, it permits continuity in model development by providing documentation from which energy analysts can undertake model enhancements, data updates, and parameter refinements.

Modeling complexes of modeled proteins.

Science.gov (United States)

Anishchenko, Ivan; Kundrotas, Petras J; Vakser, Ilya A

2017-03-01

Structural characterization of proteins is essential for understanding life processes at the molecular level. However, only a fraction of known proteins have experimentally determined structures. This fraction is even smaller for protein-protein complexes. Thus, structural modeling of protein-protein interactions (docking) primarily has to rely on modeled structures of the individual proteins, which typically are less accurate than the experimentally determined ones. Such "double" modeling is the Grand Challenge of structural reconstruction of the interactome. Yet it remains so far largely untested in a systematic way. We present a comprehensive validation of template-based and free docking on a set of 165 complexes, where each protein model has six levels of structural accuracy, from 1 to 6 Å C α RMSD. Many template-based docking predictions fall into acceptable quality category, according to the CAPRI criteria, even for highly inaccurate proteins (5-6 Å RMSD), although the number of such models (and, consequently, the docking success rate) drops significantly for models with RMSD > 4 Å. The results show that the existing docking methodologies can be successfully applied to protein models with a broad range of structural accuracy, and the template-based docking is much less sensitive to inaccuracies of protein models than the free docking. Proteins 2017; 85:470-478. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

Modeling styles in business process modeling

NARCIS (Netherlands)

Pinggera, J.; Soffer, P.; Zugal, S.; Weber, B.; Weidlich, M.; Fahland, D.; Reijers, H.A.; Mendling, J.; Bider, I.; Halpin, T.; Krogstie, J.; Nurcan, S.; Proper, E.; Schmidt, R.; Soffer, P.; Wrycza, S.

2012-01-01

Research on quality issues of business process models has recently begun to explore the process of creating process models. As a consequence, the question arises whether different ways of creating process models exist. In this vein, we observed 115 students engaged in the act of modeling, recording

Comparison: Binomial model and Black Scholes model

Directory of Open Access Journals (Sweden)

Amir Ahmad Dar

2018-03-01

Full Text Available The Binomial Model and the Black Scholes Model are the popular methods that are used to solve the option pricing problems. Binomial Model is a simple statistical method and Black Scholes model requires a solution of a stochastic differential equation. Pricing of European call and a put option is a very difficult method used by actuaries. The main goal of this study is to differentiate the Binominal model and the Black Scholes model by using two statistical model - t-test and Tukey model at one period. Finally, the result showed that there is no significant difference between the means of the European options by using the above two models.

Modelling in Business Model design

NARCIS (Netherlands)

Simonse, W.L.

2013-01-01

It appears that business model design might not always produce a design or model as the expected result. However when designers are involved, a visual model or artefact is produced. To assist strategic managers in thinking about how they can act, the designers challenge is to combine strategy and

Adenine versus Guanine Quartets in Aqueous Solution. Dispersion-Corrected DFT Study on the Differences in π-Stacking and Hydrogen-Bonding Behavior

NARCIS (Netherlands)

Fonseca Guerra, C.; van der Wijst, T.; Poater, J.; Swart, M.; Bickelhaupt, F.M.

2010-01-01

We have investigated the performance of the dispersion-corrected density functionals (BLYP-D, BP86-D and PBE-D) and the widely used B3LYP functional for describing the hydrogen bonds and the stacking interactions in DNA base dimers. For the gas-phase situation, the bonding energies have been

Adinkras from ordered quartets of BC4 Coxeter group elements and regarding another Gadget’s 1,358,954,496 matrix elements

Science.gov (United States)

Gates, S. James; Kang, Lucas; Kessler, David S.; Korotkikh, Vadim

2018-04-01

A Gadget, more precisely a scalar Gadget, is defined as a mathematical calculation acting over a domain of one or more adinkra graphs and whose range is a real number. A 2010 work on the subject of automorphisms of adinkra graphs, implied the existence of multiple numbers of Gadgets depending on the number of colors under consideration. For four colors, this number is two. In this work, we verify the existence of a second such Gadget and calculate (both analytically and via explicit computer-enabled algorithms) its 1,358,954,496 matrix elements over 36,864 minimal valise adinkras related to the Coxeter Group BC4.

The elegant velvet glove: A textual and visual reading of the gothicised female form in Lawrence Durrell’s 'The Alexandria quartet'

NARCIS (Netherlands)

Kreuiter, A.D.

2014-01-01

My thesis analyses the gothicisation of the female form in ‘The Alexandria quartet’ written by the English novelist Lawrence Durrell. In this study I show how Durrell's concern with the themes of space-time-memory, ambiguity, multiple perspectives, metaphoric imagery, buried or not-so-buried acts of

Modelling SDL, Modelling Languages

Directory of Open Access Journals (Sweden)

Michael Piefel

2007-02-01

Full Text Available Today's software systems are too complex to implement them and model them using only one language. As a result, modern software engineering uses different languages for different levels of abstraction and different system aspects. Thus to handle an increasing number of related or integrated languages is the most challenging task in the development of tools. We use object oriented metamodelling to describe languages. Object orientation allows us to derive abstract reusable concept definitions (concept classes from existing languages. This language definition technique concentrates on semantic abstractions rather than syntactical peculiarities. We present a set of common concept classes that describe structure, behaviour, and data aspects of high-level modelling languages. Our models contain syntax modelling using the OMG MOF as well as static semantic constraints written in OMG OCL. We derive metamodels for subsets of SDL and UML from these common concepts, and we show for parts of these languages that they can be modelled and related to each other through the same abstract concepts.

Model integration and a theory of models

OpenAIRE

Dolk, Daniel R.; Kottemann, Jeffrey E.

1993-01-01

Model integration extends the scope of model management to include the dimension of manipulation as well. This invariably leads to comparisons with database theory. Model integration is viewed from four perspectives: Organizational, definitional, procedural, and implementational. Strategic modeling is discussed as the organizational motivation for model integration. Schema and process integration are examined as the logical and manipulation counterparts of model integr...

Integrated Site Model Process Model Report

International Nuclear Information System (INIS)

Booth, T.

2000-01-01

The Integrated Site Model (ISM) provides a framework for discussing the geologic features and properties of Yucca Mountain, which is being evaluated as a potential site for a geologic repository for the disposal of nuclear waste. The ISM is important to the evaluation of the site because it provides 3-D portrayals of site geologic, rock property, and mineralogic characteristics and their spatial variabilities. The ISM is not a single discrete model; rather, it is a set of static representations that provide three-dimensional (3-D), computer representations of site geology, selected hydrologic and rock properties, and mineralogic-characteristics data. These representations are manifested in three separate model components of the ISM: the Geologic Framework Model (GFM), the Rock Properties Model (RPM), and the Mineralogic Model (MM). The GFM provides a representation of the 3-D stratigraphy and geologic structure. Based on the framework provided by the GFM, the RPM and MM provide spatial simulations of the rock and hydrologic properties, and mineralogy, respectively. Functional summaries of the component models and their respective output are provided in Section 1.4. Each of the component models of the ISM considers different specific aspects of the site geologic setting. Each model was developed using unique methodologies and inputs, and the determination of the modeled units for each of the components is dependent on the requirements of that component. Therefore, while the ISM represents the integration of the rock properties and mineralogy into a geologic framework, the discussion of ISM construction and results is most appropriately presented in terms of the three separate components. This Process Model Report (PMR) summarizes the individual component models of the ISM (the GFM, RPM, and MM) and describes how the three components are constructed and combined to form the ISM

Concept Modeling vs. Data modeling in Practice

DEFF Research Database (Denmark)

Madsen, Bodil Nistrup; Erdman Thomsen, Hanne

2015-01-01

This chapter shows the usefulness of terminological concept modeling as a first step in data modeling. First, we introduce terminological concept modeling with terminological ontologies, i.e. concept systems enriched with characteristics modeled as feature specifications. This enables a formal...... account of the inheritance of characteristics and allows us to introduce a number of principles and constraints which render concept modeling more coherent than earlier approaches. Second, we explain how terminological ontologies can be used as the basis for developing conceptual and logical data models....... We also show how to map from the various elements in the terminological ontology to elements in the data models, and explain the differences between the models. Finally the usefulness of terminological ontologies as a prerequisite for IT development and data modeling is illustrated with examples from...

Automated Protein Structure Modeling with SWISS-MODEL Workspace and the Protein Model Portal

OpenAIRE

Bordoli, Lorenza; Schwede, Torsten

2012-01-01

Comparative protein structure modeling is a computational approach to build three-dimensional structural models for proteins using experimental structures of related protein family members as templates. Regular blind assessments of modeling accuracy have demonstrated that comparative protein structure modeling is currently the most reliable technique to model protein structures. Homology models are often sufficiently accurate to substitute for experimental structures in a wide variety of appl...

Model documentation report: Transportation sector model of the National Energy Modeling System

Energy Technology Data Exchange (ETDEWEB)

NONE

1997-02-01

Over the past year, several modifications have been made to the NEMS Transportation Model, incorporating greater levels of detail and analysis in modules previously represented in the aggregate or under a profusion of simplifying assumptions. This document is intended to amend those sections of the Model Documentation Report (MDR) which describe these superseded modules. Significant changes have been implemented in the LDV Fuel Economy Model, the Alternative Fuel Vehicle Model, the LDV Fleet Module, and the Highway Freight Model. The relevant sections of the MDR have been extracted from the original document, amended, and are presented in the following pages. A brief summary of the modifications follows: In the Fuel Economy Model, modifications have been made which permit the user to employ more optimistic assumptions about the commercial viability and impact of selected technological improvements. This model also explicitly calculates the fuel economy of an array of alternative fuel vehicles (AFV`s) which are subsequently used in the estimation of vehicle sales. In the Alternative Fuel Vehicle Model, the results of the Fuel Economy Model have been incorporated, and the program flows have been modified to reflect that fact. In the Light Duty Vehicle Fleet Module, the sales of vehicles to fleets of various size are endogenously calculated in order to provide a more detailed estimate of the impacts of EPACT legislation on the sales of AFV`s to fleets. In the Highway Freight Model, the previous aggregate estimation has been replaced by a detailed Freight Truck Stock Model, where travel patterns, efficiencies, and energy intensities are estimated by industrial grouping. Several appendices are provided at the end of this document, containing data tables and supplementary descriptions of the model development process which are not integral to an understanding of the overall model structure.

The IMACLIM model; Le modele IMACLIM

Energy Technology Data Exchange (ETDEWEB)

NONE

2003-07-01

This document provides annexes to the IMACLIM model which propose an actualized description of IMACLIM, model allowing the design of an evaluation tool of the greenhouse gases reduction policies. The model is described in a version coupled with the POLES, technical and economical model of the energy industry. Notations, equations, sources, processing and specifications are proposed and detailed. (A.L.B.)

Modelling Practice

DEFF Research Database (Denmark)

Cameron, Ian; Gani, Rafiqul

2011-01-01

This chapter deals with the practicalities of building, testing, deploying and maintaining models. It gives specific advice for each phase of the modelling cycle. To do this, a modelling framework is introduced which covers: problem and model definition; model conceptualization; model data...... requirements; model construction; model solution; model verification; model validation and finally model deployment and maintenance. Within the adopted methodology, each step is discussedthrough the consideration of key issues and questions relevant to the modelling activity. Practical advice, based on many...

Leadership Models.

Science.gov (United States)

Freeman, Thomas J.

This paper discusses six different models of organizational structure and leadership, including the scalar chain or pyramid model, the continuum model, the grid model, the linking pin model, the contingency model, and the circle or democratic model. Each model is examined in a separate section that describes the model and its development, lists…

Cognitive models embedded in system simulation models

International Nuclear Information System (INIS)

Siegel, A.I.; Wolf, J.J.

1982-01-01

If we are to discuss and consider cognitive models, we must first come to grips with two questions: (1) What is cognition; (2) What is a model. Presumably, the answers to these questions can provide a basis for defining a cognitive model. Accordingly, this paper first places these two questions into perspective. Then, cognitive models are set within the context of computer simulation models and a number of computer simulations of cognitive processes are described. Finally, pervasive issues are discussed vis-a-vis cognitive modeling in the computer simulation context

Better models are more effectively connected models

Science.gov (United States)

Nunes, João Pedro; Bielders, Charles; Darboux, Frederic; Fiener, Peter; Finger, David; Turnbull-Lloyd, Laura; Wainwright, John

2016-04-01

The concept of hydrologic and geomorphologic connectivity describes the processes and pathways which link sources (e.g. rainfall, snow and ice melt, springs, eroded areas and barren lands) to accumulation areas (e.g. foot slopes, streams, aquifers, reservoirs), and the spatial variations thereof. There are many examples of hydrological and sediment connectivity on a watershed scale; in consequence, a process-based understanding of connectivity is crucial to help managers understand their systems and adopt adequate measures for flood prevention, pollution mitigation and soil protection, among others. Modelling is often used as a tool to understand and predict fluxes within a catchment by complementing observations with model results. Catchment models should therefore be able to reproduce the linkages, and thus the connectivity of water and sediment fluxes within the systems under simulation. In modelling, a high level of spatial and temporal detail is desirable to ensure taking into account a maximum number of components, which then enables connectivity to emerge from the simulated structures and functions. However, computational constraints and, in many cases, lack of data prevent the representation of all relevant processes and spatial/temporal variability in most models. In most cases, therefore, the level of detail selected for modelling is too coarse to represent the system in a way in which connectivity can emerge; a problem which can be circumvented by representing fine-scale structures and processes within coarser scale models using a variety of approaches. This poster focuses on the results of ongoing discussions on modelling connectivity held during several workshops within COST Action Connecteur. It assesses the current state of the art of incorporating the concept of connectivity in hydrological and sediment models, as well as the attitudes of modellers towards this issue. The discussion will focus on the different approaches through which connectivity

Constructive Epistemic Modeling: A Hierarchical Bayesian Model Averaging Method

Science.gov (United States)

Tsai, F. T. C.; Elshall, A. S.

2014-12-01

Constructive epistemic modeling is the idea that our understanding of a natural system through a scientific model is a mental construct that continually develops through learning about and from the model. Using the hierarchical Bayesian model averaging (HBMA) method [1], this study shows that segregating different uncertain model components through a BMA tree of posterior model probabilities, model prediction, within-model variance, between-model variance and total model variance serves as a learning tool [2]. First, the BMA tree of posterior model probabilities permits the comparative evaluation of the candidate propositions of each uncertain model component. Second, systemic model dissection is imperative for understanding the individual contribution of each uncertain model component to the model prediction and variance. Third, the hierarchical representation of the between-model variance facilitates the prioritization of the contribution of each uncertain model component to the overall model uncertainty. We illustrate these concepts using the groundwater modeling of a siliciclastic aquifer-fault system. The sources of uncertainty considered are from geological architecture, formation dip, boundary conditions and model parameters. The study shows that the HBMA analysis helps in advancing knowledge about the model rather than forcing the model to fit a particularly understanding or merely averaging several candidate models. [1] Tsai, F. T.-C., and A. S. Elshall (2013), Hierarchical Bayesian model averaging for hydrostratigraphic modeling: Uncertainty segregation and comparative evaluation. Water Resources Research, 49, 5520-5536, doi:10.1002/wrcr.20428. [2] Elshall, A.S., and F. T.-C. Tsai (2014). Constructive epistemic modeling of groundwater flow with geological architecture and boundary condition uncertainty under Bayesian paradigm, Journal of Hydrology, 517, 105-119, doi: 10.1016/j.jhydrol.2014.05.027.

Models and role models

NARCIS (Netherlands)

ten Cate, J.M.

2015-01-01

Developing experimental models to understand dental caries has been the theme in our research group. Our first, the pH-cycling model, was developed to investigate the chemical reactions in enamel or dentine, which lead to dental caries. It aimed to leverage our understanding of the fluoride mode of

Multiscale musculoskeletal modelling, data–model fusion and electromyography-informed modelling

Science.gov (United States)

Zhang, J.; Heidlauf, T.; Sartori, M.; Besier, T.; Röhrle, O.; Lloyd, D.

2016-01-01

This paper proposes methods and technologies that advance the state of the art for modelling the musculoskeletal system across the spatial and temporal scales; and storing these using efficient ontologies and tools. We present population-based modelling as an efficient method to rapidly generate individual morphology from only a few measurements and to learn from the ever-increasing supply of imaging data available. We present multiscale methods for continuum muscle and bone models; and efficient mechanostatistical methods, both continuum and particle-based, to bridge the scales. Finally, we examine both the importance that muscles play in bone remodelling stimuli and the latest muscle force prediction methods that use electromyography-assisted modelling techniques to compute musculoskeletal forces that best reflect the underlying neuromuscular activity. Our proposal is that, in order to have a clinically relevant virtual physiological human, (i) bone and muscle mechanics must be considered together; (ii) models should be trained on population data to permit rapid generation and use underlying principal modes that describe both muscle patterns and morphology; and (iii) these tools need to be available in an open-source repository so that the scientific community may use, personalize and contribute to the database of models. PMID:27051510

Atmospheric statistical dynamic models. Model performance: the Lawrence Livermore Laboratoy Zonal Atmospheric Model

International Nuclear Information System (INIS)

Potter, G.L.; Ellsaesser, H.W.; MacCracken, M.C.; Luther, F.M.

1978-06-01

Results from the zonal model indicate quite reasonable agreement with observation in terms of the parameters and processes that influence the radiation and energy balance calculations. The model produces zonal statistics similar to those from general circulation models, and has also been shown to produce similar responses in sensitivity studies. Further studies of model performance are planned, including: comparison with July data; comparison of temperature and moisture transport and wind fields for winter and summer months; and a tabulation of atmospheric energetics. Based on these preliminary performance studies, however, it appears that the zonal model can be used in conjunction with more complex models to help unravel the problems of understanding the processes governing present climate and climate change. As can be seen in the subsequent paper on model sensitivity studies, in addition to reduced cost of computation, the zonal model facilitates analysis of feedback mechanisms and simplifies analysis of the interactions between processes

Gradient-based model calibration with proxy-model assistance

Science.gov (United States)

Burrows, Wesley; Doherty, John

2016-02-01

Use of a proxy model in gradient-based calibration and uncertainty analysis of a complex groundwater model with large run times and problematic numerical behaviour is described. The methodology is general, and can be used with models of all types. The proxy model is based on a series of analytical functions that link all model outputs used in the calibration process to all parameters requiring estimation. In enforcing history-matching constraints during the calibration and post-calibration uncertainty analysis processes, the proxy model is run for the purposes of populating the Jacobian matrix, while the original model is run when testing parameter upgrades; the latter process is readily parallelized. Use of a proxy model in this fashion dramatically reduces the computational burden of complex model calibration and uncertainty analysis. At the same time, the effect of model numerical misbehaviour on calculation of local gradients is mitigated, this allowing access to the benefits of gradient-based analysis where lack of integrity in finite-difference derivatives calculation would otherwise have impeded such access. Construction of a proxy model, and its subsequent use in calibration of a complex model, and in analysing the uncertainties of predictions made by that model, is implemented in the PEST suite.

Spike Neural Models Part II: Abstract Neural Models

Directory of Open Access Journals (Sweden)

Johnson, Melissa G.

2018-02-01

Full Text Available Neurons are complex cells that require a lot of time and resources to model completely. In spiking neural networks (SNN though, not all that complexity is required. Therefore simple, abstract models are often used. These models save time, use less computer resources, and are easier to understand. This tutorial presents two such models: Izhikevich's model, which is biologically realistic in the resulting spike trains but not in the parameters, and the Leaky Integrate and Fire (LIF model which is not biologically realistic but does quickly and easily integrate input to produce spikes. Izhikevich's model is based on Hodgkin-Huxley's model but simplified such that it uses only two differentiation equations and four parameters to produce various realistic spike patterns. LIF is based on a standard electrical circuit and contains one equation. Either of these two models, or any of the many other models in literature can be used in a SNN. Choosing a neural model is an important task that depends on the goal of the research and the resources available. Once a model is chosen, network decisions such as connectivity, delay, and sparseness, need to be made. Understanding neural models and how they are incorporated into the network is the first step in creating a SNN.

Population balance models: a useful complementary modelling framework for future WWTP modelling

DEFF Research Database (Denmark)

Nopens, Ingmar; Torfs, Elena; Ducoste, Joel

2015-01-01

Population balance models (PBMs) represent a powerful modelling framework for the description of the dynamics of properties that are characterised by distributions. This distribution of properties under transient conditions has been demonstrated in many chemical engineering applications. Modelling...

From Product Models to Product State Models

DEFF Research Database (Denmark)

Larsen, Michael Holm

1999-01-01

A well-known technology designed to handle product data is Product Models. Product Models are in their current form not able to handle all types of product state information. Hence, the concept of a Product State Model (PSM) is proposed. The PSM and in particular how to model a PSM is the Research...

North American Carbon Project (NACP) Regional Model-Model and Model-Data Intercomparison Project

Science.gov (United States)

Huntzinger, D. N.; Post, W. M.; Jacobson, A. R.; Cook, R. B.

2009-05-01

Available observations are localized and widely separated in both space and time, so we depend heavily on models to characterize, understand, and predict carbon fluxes at regional and global scales. The results from each model differ because they use different approaches (forward vs. inverse), modeling strategies (detailed process, statistical, observation based), process representation, boundary conditions, initial conditions, and driver data. To investigate these differences we conducted a model-model and model-data comparison using available forward ecosystem model and atmospheric inverse output, along with regional scale inventory data. Forward or "bottom-up" models typically estimate carbon fluxes through a set of physiological relationships, and are based on our current mechanistic understanding of how carbon is exchanged within ecosystems. Inverse or "top-down" analyses use measured atmospheric concentrations of CO2, coupled with an atmospheric transport model to infer surface flux distributions. Although bottom-up models do fairly well at reproducing measured fluxes (i.e., net ecosystem exchange) at a given location, they vary considerably in their estimates of carbon flux over regional or continental scales, suggesting difficulty in scaling mechanistic relationships to large areas and/or timescales. Conversely, top-down inverse models predict fluxes that are quantitatively consistent with atmospheric measurements, suggesting that they are capturing large scale variability in flux quite well, but offer limited insights into the processes controlling this variability and how fluxes vary at fine spatial scales. The analyses focused on identifying and quantifying spatial and temporal patterns of carbon fluxes among the models; quantifying across-model variability, as well as comparing simulated or estimated surface fluxes and biomass to observed values at regional to continental scales for the period 2000-2005. The analysis focused on the following three

Population Balance Models: A useful complementary modelling framework for future WWTP modelling

DEFF Research Database (Denmark)

Nopens, Ingmar; Torfs, Elena; Ducoste, Joel

2014-01-01

Population Balance Models (PBMs) represent a powerful modelling framework for the description of the dynamics of properties that are characterised by statistical distributions. This has been demonstrated in many chemical engineering applications. Modelling efforts of several current and future unit...

Model Metric untuk Mengukur Fleksibilitas Model Proses Bisnis

Directory of Open Access Journals (Sweden)

Endang Wahyu Pamungkas

2014-10-01

Full Text Available Abstrak Organisasi bisnis dunia saat ini banyak memanfaatkan sistem informasi digital untuk memberikan pemahaman mengenai manajemen proses bisnis yang mereka jalani. Pemanfaatan sistem Enterprise Resource Planning (ERP merupakan contoh teknologi dalam manajemen proses bisnis. Melalui sistem ini perusahaan dapat membangun dan mengembangkan proses bisnis. Selain itu, perusahaan juga dapat menyesuaikan proses bisnis secara cepat terhadap perubahan yang terjadi seiring bertambahnya kebutuhan dan informasi, berubahnya kondisi pasar, atau perubahan kebijakan. Sehubungan dengan perubahan proses bisnis yang sering terjadi, maka aspek fleksibilitas terhadap model proses yang dibangun harus ditingkatkan. Dalam mendukung peningkatan fleksibilitas tersebut tentunya dibutuhkan sebuah model untuk mengukur tingkat flesibelitas model proses bisnis. Model tersebut yang kemudian dapat digunakan oleh analis untuk melakukan perbandingan sehingga dapat diperoleh model proses bisnis yang paling fleksibel dan cocok dengan perusahaan. Hal ini dapat dianalisa dengan melibatkan aspek-aspek fleksibel yang telah diteliti pada penelitian-penelitian sebelumnya. Dalam paper ini akan dilakukan penelitian mengenai aspek fleksibitas dalam model proses bisnis untuk menghasilkan model metric yang dapat melakukan kuantifikasi tingkat fleksibilitas pada model proses bisnis. Model metric yang dihasilkan pada penelitian ini mampu melakukan perhitungan fleksibelitas pada model proses bisnis secara kuantitatif. Kata kunci: ERP, fleksibilitas, metadata, model metric, model proses bisnis, variasi Abstract Recently, business organizations in the world are making use of digital information systems to provide an understanding of the business process management in which they live. Utilization of Enterprise Resource Planning (ERP system is an example of technology in business process management. Through this system, some companies can build and develop business process and can quickly adjust

Modelling bankruptcy prediction models in Slovak companies

Directory of Open Access Journals (Sweden)

Kovacova Maria

2017-01-01

Full Text Available An intensive research from academics and practitioners has been provided regarding models for bankruptcy prediction and credit risk management. In spite of numerous researches focusing on forecasting bankruptcy using traditional statistics techniques (e.g. discriminant analysis and logistic regression and early artificial intelligence models (e.g. artificial neural networks, there is a trend for transition to machine learning models (support vector machines, bagging, boosting, and random forest to predict bankruptcy one year prior to the event. Comparing the performance of this with unconventional approach with results obtained by discriminant analysis, logistic regression, and neural networks application, it has been found that bagging, boosting, and random forest models outperform the others techniques, and that all prediction accuracy in the testing sample improves when the additional variables are included. On the other side the prediction accuracy of old and well known bankruptcy prediction models is quiet high. Therefore, we aim to analyse these in some way old models on the dataset of Slovak companies to validate their prediction ability in specific conditions. Furthermore, these models will be modelled according to new trends by calculating the influence of elimination of selected variables on the overall prediction ability of these models.

The ModelCC Model-Driven Parser Generator

Directory of Open Access Journals (Sweden)

Fernando Berzal

2015-01-01

Full Text Available Syntax-directed translation tools require the specification of a language by means of a formal grammar. This grammar must conform to the specific requirements of the parser generator to be used. This grammar is then annotated with semantic actions for the resulting system to perform its desired function. In this paper, we introduce ModelCC, a model-based parser generator that decouples language specification from language processing, avoiding some of the problems caused by grammar-driven parser generators. ModelCC receives a conceptual model as input, along with constraints that annotate it. It is then able to create a parser for the desired textual syntax and the generated parser fully automates the instantiation of the language conceptual model. ModelCC also includes a reference resolution mechanism so that ModelCC is able to instantiate abstract syntax graphs, rather than mere abstract syntax trees.

Environmental Satellite Models for a Macroeconomic Model

International Nuclear Information System (INIS)

Moeller, F.; Grinderslev, D.; Werner, M.

2003-01-01

To support national environmental policy, it is desirable to forecast and analyse environmental indicators consistently with economic variables. However, environmental indicators are physical measures linked to physical activities that are not specified in economic models. One way to deal with this is to develop environmental satellite models linked to economic models. The system of models presented gives a frame of reference where emissions of greenhouse gases, acid gases, and leaching of nutrients to the aquatic environment are analysed in line with - and consistently with - macroeconomic variables. This paper gives an overview of the data and the satellite models. Finally, the results of applying the model system to calculate the impacts on emissions and the economy are reviewed in a few illustrative examples. The models have been developed for Denmark; however, most of the environmental data used are from the CORINAIR system implemented in numerous countries

A model evaluation checklist for process-based environmental models

Science.gov (United States)

Jackson-Blake, Leah

2015-04-01

Mechanistic catchment-scale phosphorus models appear to perform poorly where diffuse sources dominate. The reasons for this were investigated for one commonly-applied model, the INtegrated model of CAtchment Phosphorus (INCA-P). Model output was compared to 18 months of daily water quality monitoring data in a small agricultural catchment in Scotland, and model structure, key model processes and internal model responses were examined. Although the model broadly reproduced dissolved phosphorus dynamics, it struggled with particulates. The reasons for poor performance were explored, together with ways in which improvements could be made. The process of critiquing and assessing model performance was then generalised to provide a broadly-applicable model evaluation checklist, incorporating: (1) Calibration challenges, relating to difficulties in thoroughly searching a high-dimensional parameter space and in selecting appropriate means of evaluating model performance. In this study, for example, model simplification was identified as a necessary improvement to reduce the number of parameters requiring calibration, whilst the traditionally-used Nash Sutcliffe model performance statistic was not able to discriminate between realistic and unrealistic model simulations, and alternative statistics were needed. (2) Data limitations, relating to a lack of (or uncertainty in) input data, data to constrain model parameters, data for model calibration and testing, and data to test internal model processes. In this study, model reliability could be improved by addressing all four kinds of data limitation. For example, there was insufficient surface water monitoring data for model testing against an independent dataset to that used in calibration, whilst additional monitoring of groundwater and effluent phosphorus inputs would help distinguish between alternative plausible model parameterisations. (3) Model structural inadequacies, whereby model structure may inadequately represent

Coupling Climate Models and Forward-Looking Economic Models

Science.gov (United States)

Judd, K.; Brock, W. A.

2010-12-01

Authors: Dr. Kenneth L. Judd, Hoover Institution, and Prof. William A. Brock, University of Wisconsin Current climate models range from General Circulation Models (GCM’s) with millions of degrees of freedom to models with few degrees of freedom. Simple Energy Balance Climate Models (EBCM’s) help us understand the dynamics of GCM’s. The same is true in economics with Computable General Equilibrium Models (CGE’s) where some models are infinite-dimensional multidimensional differential equations but some are simple models. Nordhaus (2007, 2010) couples a simple EBCM with a simple economic model. One- and two- dimensional ECBM’s do better at approximating damages across the globe and positive and negative feedbacks from anthroprogenic forcing (North etal. (1981), Wu and North (2007)). A proper coupling of climate and economic systems is crucial for arriving at effective policies. Brock and Xepapadeas (2010) have used Fourier/Legendre based expansions to study the shape of socially optimal carbon taxes over time at the planetary level in the face of damages caused by polar ice cap melt (as discussed by Oppenheimer, 2005) but in only a “one dimensional” EBCM. Economists have used orthogonal polynomial expansions to solve dynamic, forward-looking economic models (Judd, 1992, 1998). This presentation will couple EBCM climate models with basic forward-looking economic models, and examine the effectiveness and scaling properties of alternative solution methods. We will use a two dimensional EBCM model on the sphere (Wu and North, 2007) and a multicountry, multisector regional model of the economic system. Our aim will be to gain insights into intertemporal shape of the optimal carbon tax schedule, and its impact on global food production, as modeled by Golub and Hertel (2009). We will initially have limited computing resources and will need to focus on highly aggregated models. However, this will be more complex than existing models with forward

EIA model documentation: Petroleum Market Model of the National Energy Modeling System

Energy Technology Data Exchange (ETDEWEB)

NONE

1994-12-30

The purpose of this report is to define the objectives of the Petroleum Market Model (PMM), describe its basic approach, and provide detail on how it works. This report is intended as a reference document for model analysts, users, and the public. Documentation of the model is in accordance with EIA`s legal obligation to provide adequate documentation in support of its models (Public Law 94-385, section 57.b.2). The PMM models petroleum refining activities, the marketing of products, the production of natural gas liquids and domestic methanol, projects petroleum provides and sources of supplies for meeting demand. In addition, the PMM estimates domestic refinery capacity expansion and fuel consumption.

Modeling Methods

Science.gov (United States)

Healy, Richard W.; Scanlon, Bridget R.

2010-01-01

Simulation models are widely used in all types of hydrologic studies, and many of these models can be used to estimate recharge. Models can provide important insight into the functioning of hydrologic systems by identifying factors that influence recharge. The predictive capability of models can be used to evaluate how changes in climate, water use, land use, and other factors may affect recharge rates. Most hydrological simulation models, including watershed models and groundwater-flow models, are based on some form of water-budget equation, so the material in this chapter is closely linked to that in Chapter 2. Empirical models that are not based on a water-budget equation have also been used for estimating recharge; these models generally take the form of simple estimation equations that define annual recharge as a function of precipitation and possibly other climatic data or watershed characteristics.Model complexity varies greatly. Some models are simple accounting models; others attempt to accurately represent the physics of water movement through each compartment of the hydrologic system. Some models provide estimates of recharge explicitly; for example, a model based on the Richards equation can simulate water movement from the soil surface through the unsaturated zone to the water table. Recharge estimates can be obtained indirectly from other models. For example, recharge is a parameter in groundwater-flow models that solve for hydraulic head (i.e. groundwater level). Recharge estimates can be obtained through a model calibration process in which recharge and other model parameter values are adjusted so that simulated water levels agree with measured water levels. The simulation that provides the closest agreement is called the best fit, and the recharge value used in that simulation is the model-generated estimate of recharge.

Post-model selection inference and model averaging

Directory of Open Access Journals (Sweden)

Georges Nguefack-Tsague

2011-07-01

Full Text Available Although model selection is routinely used in practice nowadays, little is known about its precise effects on any subsequent inference that is carried out. The same goes for the effects induced by the closely related technique of model averaging. This paper is concerned with the use of the same data first to select a model and then to carry out inference, in particular point estimation and point prediction. The properties of the resulting estimator, called a post-model-selection estimator (PMSE, are hard to derive. Using selection criteria such as hypothesis testing, AIC, BIC, HQ and Cp, we illustrate that, in terms of risk function, no single PMSE dominates the others. The same conclusion holds more generally for any penalised likelihood information criterion. We also compare various model averaging schemes and show that no single one dominates the others in terms of risk function. Since PMSEs can be regarded as a special case of model averaging, with 0-1 random-weights, we propose a connection between the two theories, in the frequentist approach, by taking account of the selection procedure when performing model averaging. We illustrate the point by simulating a simple linear regression model.

The DINA model as a constrained general diagnostic model: Two variants of a model equivalency.

Science.gov (United States)

von Davier, Matthias

2014-02-01

The 'deterministic-input noisy-AND' (DINA) model is one of the more frequently applied diagnostic classification models for binary observed responses and binary latent variables. The purpose of this paper is to show that the model is equivalent to a special case of a more general compensatory family of diagnostic models. Two equivalencies are presented. Both project the original DINA skill space and design Q-matrix using mappings into a transformed skill space as well as a transformed Q-matrix space. Both variants of the equivalency produce a compensatory model that is mathematically equivalent to the (conjunctive) DINA model. This equivalency holds for all DINA models with any type of Q-matrix, not only for trivial (simple-structure) cases. The two versions of the equivalency presented in this paper are not implied by the recently suggested log-linear cognitive diagnosis model or the generalized DINA approach. The equivalencies presented here exist independent of these recently derived models since they solely require a linear - compensatory - general diagnostic model without any skill interaction terms. Whenever it can be shown that one model can be viewed as a special case of another more general one, conclusions derived from any particular model-based estimates are drawn into question. It is widely known that multidimensional models can often be specified in multiple ways while the model-based probabilities of observed variables stay the same. This paper goes beyond this type of equivalency by showing that a conjunctive diagnostic classification model can be expressed as a constrained special case of a general compensatory diagnostic modelling framework. © 2013 The British Psychological Society.

Performance Measurement Model A TarBase model with ...

Indian Academy of Sciences (India)

rohit

Model A 8.0 2.0 94.52% 88.46% 76 108 12 12 0.86 0.91 0.78 0.94. Model B 2.0 2.0 93.18% 89.33% 64 95 10 9 0.88 0.90 0.75 0.98. The above results for TEST – 1 show details for our two models (Model A and Model B).Performance of Model A after adding of 32 negative dataset of MiRTif on our testing set(MiRecords) ...

Underground economy modelling: simple models with complicated dynamics

OpenAIRE

Albu, Lucian-Liviu

2003-01-01

The paper aims to model the underground economy using two different models: one based on the labor supply method and a generalized model for the allocation of time. The model based on the labor supply method is conceived as a simulating one in order to determine some reasonable thresholds of the underground sector extension based only on the available macroeconomic statistical data. The generalized model for the allocation of time is a model based on direct approach which estimates the underg...

Integrative structure modeling with the Integrative Modeling Platform.

Science.gov (United States)

Webb, Benjamin; Viswanath, Shruthi; Bonomi, Massimiliano; Pellarin, Riccardo; Greenberg, Charles H; Saltzberg, Daniel; Sali, Andrej

2018-01-01

Building models of a biological system that are consistent with the myriad data available is one of the key challenges in biology. Modeling the structure and dynamics of macromolecular assemblies, for example, can give insights into how biological systems work, evolved, might be controlled, and even designed. Integrative structure modeling casts the building of structural models as a computational optimization problem, for which information about the assembly is encoded into a scoring function that evaluates candidate models. Here, we describe our open source software suite for integrative structure modeling, Integrative Modeling Platform (https://integrativemodeling.org), and demonstrate its use. © 2017 The Protein Society.

Modeling volatility using state space models.

Science.gov (United States)

Timmer, J; Weigend, A S

1997-08-01

In time series problems, noise can be divided into two categories: dynamic noise which drives the process, and observational noise which is added in the measurement process, but does not influence future values of the system. In this framework, we show that empirical volatilities (the squared relative returns of prices) exhibit a significant amount of observational noise. To model and predict their time evolution adequately, we estimate state space models that explicitly include observational noise. We obtain relaxation times for shocks in the logarithm of volatility ranging from three weeks (for foreign exchange) to three to five months (for stock indices). In most cases, a two-dimensional hidden state is required to yield residuals that are consistent with white noise. We compare these results with ordinary autoregressive models (without a hidden state) and find that autoregressive models underestimate the relaxation times by about two orders of magnitude since they do not distinguish between observational and dynamic noise. This new interpretation of the dynamics of volatility in terms of relaxators in a state space model carries over to stochastic volatility models and to GARCH models, and is useful for several problems in finance, including risk management and the pricing of derivative securities. Data sets used: Olsen & Associates high frequency DEM/USD foreign exchange rates (8 years). Nikkei 225 index (40 years). Dow Jones Industrial Average (25 years).

Document Models

Directory of Open Access Journals (Sweden)

A.A. Malykh

2017-08-01

Full Text Available In this paper, the concept of locally simple models is considered. Locally simple models are arbitrarily complex models built from relatively simple components. A lot of practically important domains of discourse can be described as locally simple models, for example, business models of enterprises and companies. Up to now, research in human reasoning automation has been mainly concentrated around the most intellectually intensive activities, such as automated theorem proving. On the other hand, the retailer business model is formed from ”jobs”, and each ”job” can be modelled and automated more or less easily. At the same time, the whole retailer model as an integrated system is extremely complex. In this paper, we offer a variant of the mathematical definition of a locally simple model. This definition is intended for modelling a wide range of domains. Therefore, we also must take into account the perceptual and psychological issues. Logic is elitist, and if we want to attract to our models as many people as possible, we need to hide this elitism behind some metaphor, to which ’ordinary’ people are accustomed. As such a metaphor, we use the concept of a document, so our locally simple models are called document models. Document models are built in the paradigm of semantic programming. This allows us to achieve another important goal - to make the documentary models executable. Executable models are models that can act as practical information systems in the described domain of discourse. Thus, if our model is executable, then programming becomes redundant. The direct use of a model, instead of its programming coding, brings important advantages, for example, a drastic cost reduction for development and maintenance. Moreover, since the model is well and sound, and not dissolved within programming modules, we can directly apply AI tools, in particular, machine learning. This significantly expands the possibilities for automation and

An online model composition tool for system biology models.

Science.gov (United States)

Coskun, Sarp A; Cicek, A Ercument; Lai, Nicola; Dash, Ranjan K; Ozsoyoglu, Z Meral; Ozsoyoglu, Gultekin

2013-09-05

There are multiple representation formats for Systems Biology computational models, and the Systems Biology Markup Language (SBML) is one of the most widely used. SBML is used to capture, store, and distribute computational models by Systems Biology data sources (e.g., the BioModels Database) and researchers. Therefore, there is a need for all-in-one web-based solutions that support advance SBML functionalities such as uploading, editing, composing, visualizing, simulating, querying, and browsing computational models. We present the design and implementation of the Model Composition Tool (Interface) within the PathCase-SB (PathCase Systems Biology) web portal. The tool helps users compose systems biology models to facilitate the complex process of merging systems biology models. We also present three tools that support the model composition tool, namely, (1) Model Simulation Interface that generates a visual plot of the simulation according to user's input, (2) iModel Tool as a platform for users to upload their own models to compose, and (3) SimCom Tool that provides a side by side comparison of models being composed in the same pathway. Finally, we provide a web site that hosts BioModels Database models and a separate web site that hosts SBML Test Suite models. Model composition tool (and the other three tools) can be used with little or no knowledge of the SBML document structure. For this reason, students or anyone who wants to learn about systems biology will benefit from the described functionalities. SBML Test Suite models will be a nice starting point for beginners. And, for more advanced purposes, users will able to access and employ models of the BioModels Database as well.

Modeling inputs to computer models used in risk assessment

International Nuclear Information System (INIS)

Iman, R.L.

1987-01-01

Computer models for various risk assessment applications are closely scrutinized both from the standpoint of questioning the correctness of the underlying mathematical model with respect to the process it is attempting to model and from the standpoint of verifying that the computer model correctly implements the underlying mathematical model. A process that receives less scrutiny, but is nonetheless of equal importance, concerns the individual and joint modeling of the inputs. This modeling effort clearly has a great impact on the credibility of results. Model characteristics are reviewed in this paper that have a direct bearing on the model input process and reasons are given for using probabilities-based modeling with the inputs. The authors also present ways to model distributions for individual inputs and multivariate input structures when dependence and other constraints may be present

A Model of Trusted Measurement Model

OpenAIRE

Ma Zhili; Wang Zhihao; Dai Liang; Zhu Xiaoqin

2017-01-01

A model of Trusted Measurement supporting behavior measurement based on trusted connection architecture (TCA) with three entities and three levels is proposed, and a frame to illustrate the model is given. The model synthesizes three trusted measurement dimensions including trusted identity, trusted status and trusted behavior, satisfies the essential requirements of trusted measurement, and unified the TCA with three entities and three levels.

A unification of RDE model and XCDM model

International Nuclear Information System (INIS)

Liao, Kai; Zhu, Zong-Hong

2013-01-01

In this Letter, we propose a new generalized Ricci dark energy (NGR) model to unify Ricci dark energy (RDE) and XCDM. Our model can distinguish between RDE and XCDM by introducing a parameter β called weight factor. When β=1, NGR model becomes the usual RDE model. The XCDM model is corresponding to β=0. Moreover, NGR model permits the situation where neither β=1 nor β=0. We then perform a statefinder analysis on NGR model to see how β effects the trajectory on the r–s plane. In order to know the value of β, we constrain NGR model with latest observations including type Ia supernovae (SNe Ia) from Union2 set (557 data), baryonic acoustic oscillation (BAO) observation from the spectroscopic Sloan Digital Sky Survey (SDSS) data release 7 (DR7) galaxy sample and cosmic microwave background (CMB) observation from the 7-year Wilkinson Microwave Anisotropy Probe (WMAP7) results. With Markov Chain Monte Carlo (MCMC) method, the constraint result is β=0.08 −0.21 +0.30 (1σ) −0.28 +0.43 (2σ), which manifests the observations prefer a XCDM universe rather than RDE model. It seems RDE model is ruled out in NGR scenario within 2σ regions. Furthermore, we compare it with some of successful cosmological models using AIC information criterion. NGR model seems to be a good choice for describing the universe.

Downscaling GISS ModelE Boreal Summer Climate over Africa

Science.gov (United States)

Druyan, Leonard M.; Fulakeza, Matthew

2015-01-01

The study examines the perceived added value of downscaling atmosphere-ocean global climate model simulations over Africa and adjacent oceans by a nested regional climate model. NASA/Goddard Institute for Space Studies (GISS) coupled ModelE simulations for June- September 1998-2002 are used to form lateral boundary conditions for synchronous simulations by the GISS RM3 regional climate model. The ModelE computational grid spacing is 2deg latitude by 2.5deg longitude and the RM3 grid spacing is 0.44deg. ModelE precipitation climatology for June-September 1998-2002 is shown to be a good proxy for 30-year means so results based on the 5-year sample are presumed to be generally representative. Comparison with observational evidence shows several discrepancies in ModelE configuration of the boreal summer inter-tropical convergence zone (ITCZ). One glaring shortcoming is that ModelE simulations do not advance the West African rain band northward during the summer to represent monsoon precipitation onset over the Sahel. Results for 1998-2002 show that onset simulation is an important added value produced by downscaling with RM3. ModelE Eastern South Atlantic Ocean computed sea-surface temperatures (SST) are some 4 K warmer than reanalysis, contributing to large positive biases in overlying surface air temperatures (Tsfc). ModelE Tsfc are also too warm over most of Africa. RM3 downscaling somewhat mitigates the magnitude of Tsfc biases over the African continent, it eliminates the ModelE double ITCZ over the Atlantic and it produces more realistic orographic precipitation maxima. Parallel ModelE and RM3 simulations with observed SST forcing (in place of the predicted ocean) lower Tsfc errors but have mixed impacts on circulation and precipitation biases. Downscaling improvements of the meridional movement of the rain band over West Africa and the configuration of orographic precipitation maxima are realized irrespective of the SST biases.

Essays on model uncertainty in financial models

NARCIS (Netherlands)

Li, Jing

2018-01-01

This dissertation studies model uncertainty, particularly in financial models. It consists of two empirical chapters and one theoretical chapter. The first empirical chapter (Chapter 2) classifies model uncertainty into parameter uncertainty and misspecification uncertainty. It investigates the

Mixed models for predictive modeling in actuarial science

NARCIS (Netherlands)

Antonio, K.; Zhang, Y.

2012-01-01

We start with a general discussion of mixed (also called multilevel) models and continue with illustrating specific (actuarial) applications of this type of models. Technical details on (linear, generalized, non-linear) mixed models follow: model assumptions, specifications, estimation techniques

ModelMate - A graphical user interface for model analysis

Science.gov (United States)

Banta, Edward R.

2011-01-01

ModelMate is a graphical user interface designed to facilitate use of model-analysis programs with models. This initial version of ModelMate supports one model-analysis program, UCODE_2005, and one model software program, MODFLOW-2005. ModelMate can be used to prepare input files for UCODE_2005, run UCODE_2005, and display analysis results. A link to the GW_Chart graphing program facilitates visual interpretation of results. ModelMate includes capabilities for organizing directories used with the parallel-processing capabilities of UCODE_2005 and for maintaining files in those directories to be identical to a set of files in a master directory. ModelMate can be used on its own or in conjunction with ModelMuse, a graphical user interface for MODFLOW-2005 and PHAST.

Reactor core modeling practice: Operational requirements, model characteristics, and model validation

International Nuclear Information System (INIS)

Zerbino, H.

1997-01-01

The physical models implemented in power plant simulators have greatly increased in performance and complexity in recent years. This process has been enabled by the ever increasing computing power available at affordable prices. This paper describes this process from several angles: First the operational requirements which are more critical from the point of view of model performance, both for normal and off-normal operating conditions; A second section discusses core model characteristics in the light of the solutions implemented by Thomson Training and Simulation (TT and S) in several full-scope simulators recently built and delivered for Dutch, German, and French nuclear power plants; finally we consider the model validation procedures, which are of course an integral part of model development, and which are becoming more and more severe as performance expectations increase. As a conclusion, it may be asserted that in the core modeling field, as in other areas, the general improvement in the quality of simulation codes has resulted in a fairly rapid convergence towards mainstream engineering-grade calculations. This is remarkable performance in view of the stringent real-time requirements which the simulation codes must satisfy as well as the extremely wide range of operating conditions that they are called upon to cover with good accuracy. (author)

Can Baird's and Clar's Rules Combined Explain Triplet State Energies of Polycyclic Conjugated Hydrocarbons with Fused 4nπ- and (4n + 2)π-Rings?

Science.gov (United States)

Ayub, Rabia; Bakouri, Ouissam El; Jorner, Kjell; Solà, Miquel; Ottosson, Henrik

2017-06-16

Compounds that can be labeled as "aromatic chameleons" are π-conjugated compounds that are able to adjust their π-electron distributions so as to comply with the different rules of aromaticity in different electronic states. We used quantum chemical calculations to explore how the fusion of benzene rings onto aromatic chameleonic units represented by biphenylene, dibenzocyclooctatetraene, and dibenzo[a,e]pentalene modifies the first triplet excited states (T 1 ) of the compounds. Decreases in T 1 energies are observed when going from isomers with linear connectivity of the fused benzene rings to those with cis- or trans-bent connectivities. The T 1 energies decreased down to those of the parent (isolated) 4nπ-electron units. Simultaneously, we observe an increased influence of triplet state aromaticity of the central 4n ring as given by Baird's rule and evidenced by geometric, magnetic, and electron density based aromaticity indices (HOMA, NICS-XY, ACID, and FLU). Because of an influence of triplet state aromaticity in the central 4nπ-electron units, the most stabilized compounds retain the triplet excitation in Baird π-quartets or octets, enabling the outer benzene rings to adapt closed-shell singlet Clar π-sextet character. Interestingly, the T 1 energies go down as the total number of aromatic cycles within a molecule in the T 1 state increases.

Inverse scattering transform for the vector nonlinear Schroedinger equation with nonvanishing boundary conditions

International Nuclear Information System (INIS)

Prinari, Barbara; Ablowitz, Mark J.; Biondini, Gino

2006-01-01

The inverse scattering transform for the vector defocusing nonlinear Schroedinger (NLS) equation with nonvanishing boundary values at infinity is constructed. The direct scattering problem is formulated on a two-sheeted covering of the complex plane. Two out of the six Jost eigenfunctions, however, do not admit an analytic extension on either sheet of the Riemann surface. Therefore, a suitable modification of both the direct and the inverse problem formulations is necessary. On the direct side, this is accomplished by constructing two additional analytic eigenfunctions which are expressed in terms of the adjoint eigenfunctions. The discrete spectrum, bound states and symmetries of the direct problem are then discussed. In the most general situation, a discrete eigenvalue corresponds to a quartet of zeros (poles) of certain scattering data. The inverse scattering problem is formulated in terms of a generalized Riemann-Hilbert (RH) problem in the upper/lower half planes of a suitable uniformization variable. Special soliton solutions are constructed from the poles in the RH problem, and include dark-dark soliton solutions, which have dark solitonic behavior in both components, as well as dark-bright soliton solutions, which have one dark and one bright component. The linear limit is obtained from the RH problem and is shown to correspond to the Fourier transform solution obtained from the linearized vector NLS system

The metabolic vascular syndrome - guide to an individualized treatment.

Science.gov (United States)

Hanefeld, Markolf; Pistrosch, Frank; Bornstein, Stefan R; Birkenfeld, Andreas L

2016-03-01

In ancient Greek medicine the concept of a distinct syndrome (going together) was used to label 'a group of signs and symptoms' that occur together and 'characterize a particular abnormality and condition'. The (dys)metabolic syndrome is a common cluster of five pre-morbid metabolic-vascular risk factors or diseases associated with increased cardiovascular morbidity, fatty liver disease and risk of cancer. The risk for major complications such as cardiovascular diseases, NASH and some cancers develops along a continuum of risk factors into clinical diseases. Therefore we still include hyperglycemia, visceral obesity, dyslipidemia and hypertension as diagnostic traits in the definition according to the term 'deadly quartet'. From the beginning elevated blood pressure and hyperglycemia were core traits of the metabolic syndrome associated with endothelial dysfunction and increased risk of cardiovascular disease. Thus metabolic and vascular abnormalities are in extricable linked. Therefore it seems reasonable to extend the term to metabolic-vascular syndrome (MVS) to signal the clinical relevance and related risk of multimorbidity. This has important implications for integrated diagnostics and therapeutic approach. According to the definition of a syndrome the rapid global rise in the prevalence of all traits and comorbidities of the MVS is mainly caused by rapid changes in life-style and sociocultural transition resp. with over- and malnutrition, low physical activity and social stress as a common soil.

Energy and Rate Determinations to Activate the C-C σ-BOND of Acetone by Gaseous NI^+

Science.gov (United States)

Castleberry, Vanessa A.; Dee, S. Jason; Villarroel, Otsmar J.; Laboren, Ivanna E.; Frey, Sarah E.; Bellert, Darrin J.

2009-06-01

A unique application of a custom fabricated photodissociation spectrometer permits the determination of thermodynamic properties (activation energies), reaction rates, and mechanistic details of bare metal cation mediated C-C σ-bond activation in the gas phase. Specifically, the products and rates resulting from the unimolecular decomposition of the Ni^+Acetone (Ni^+Ac) adduct are monitored after absorption of a known amount of energy. The three dissociative products which are observed in high yield are Ni^+, Ni^+CO, and CH3CO^+. The latter two fragment ions result from the activation of a C-C σ-bond. It was found that minimally 14 000 cm^{-1} of energy must be deposited into the adduct ion to induce C-C bond breakage. Preliminary results for the Ni^+ activation of the C-C σ-bond of acetone indicate that there are (at least) two low energy reaction coordinates leading to C-C bond breakage. The lower energy pathway emerges from the doublet ground state with an upper limit to the activation energy of 14 000 cm^{-1} and reaction rate ≈0.14 molecules/μs. The higher energy path is assumed to be along the quartet reaction coordinate with a minimum activation energy of 18 800 cm^{-1} (relative to the ground state) and a slightly slower reaction rate.

A fresh look at the photoelectron spectrum of bromobenzene: A third-order non-Dyson electron propagator study

International Nuclear Information System (INIS)

Schneider, M.; Wormit, M.; Dreuw, A.; Soshnikov, D. Yu.; Trofimov, A. B.; Holland, D. M. P.; Powis, I.; Antonsson, E.; Patanen, M.; Nicolas, C.; Miron, C.

2015-01-01

The valence-shell ionization spectrum of bromobenzene, as a representative halogen substituted aromatic, was studied using the non-Dyson third-order algebraic-diagrammatic construction [nD-ADC(3)] approximation for the electron propagator. This method, also referred to as IP-ADC(3), was implemented as a part of the Q-Chem program and enables large-scale calculations of the ionization spectra, where the computational effort scales as n 5 with respect to the number of molecular orbitals n. The IP-ADC(3) scheme is ideally suited for investigating low-lying ionization transitions, so fresh insight could be gained into the cationic state manifold of bromobenzene. In particular, the present IP-ADC(3) calculations with the cc-pVTZ basis reveal a whole class of low-lying low-intensity two-hole-one-particle (2h-1p) doublet and quartet states, which are relevant to various photoionization processes. The good qualitative agreement between the theoretical spectral profile for the valence-shell ionization transitions generated with the smaller cc-pVDZ basis set and the experimental photoelectron spectrum measured at a photon energy of 80 eV on the PLÉIADES beamline at the Soleil synchrotron radiation source allowed all the main features to be assigned. Some theoretical aspects of the ionization energy calculations concerning the use of various approximation schemes and basis sets are discussed

Derivation of Reliable Geometries in QM Calculations of DNA Structures: Explicit Solvent QM/MM and Restrained Implicit Solvent QM Optimizations of G-Quadruplexes.

Science.gov (United States)

Gkionis, Konstantinos; Kruse, Holger; Šponer, Jiří

2016-04-12

Modern dispersion-corrected DFT methods have made it possible to perform reliable QM studies on complete nucleic acid (NA) building blocks having hundreds of atoms. Such calculations, although still limited to investigations of potential energy surfaces, enhance the portfolio of computational methods applicable to NAs and offer considerably more accurate intrinsic descriptions of NAs than standard MM. However, in practice such calculations are hampered by the use of implicit solvent environments and truncation of the systems. Conventional QM optimizations are spoiled by spurious intramolecular interactions and severe structural deformations. Here we compare two approaches designed to suppress such artifacts: partially restrained continuum solvent QM and explicit solvent QM/MM optimizations. We report geometry relaxations of a set of diverse double-quartet guanine quadruplex (GQ) DNA stems. Both methods provide neat structures without major artifacts. However, each one also has distinct weaknesses. In restrained optimizations, all errors in the target geometries (i.e., low-resolution X-ray and NMR structures) are transferred to the optimized geometries. In QM/MM, the initial solvent configuration causes some heterogeneity in the geometries. Nevertheless, both approaches represent a decisive step forward compared to conventional optimizations. We refine earlier computations that revealed sizable differences in the relative energies of GQ stems computed with AMBER MM and QM. We also explore the dependence of the QM/MM results on the applied computational protocol.

Spin states of reduced fullerenes (C60 and C120O) by CW and pulsed EPR

International Nuclear Information System (INIS)

Boas, J.F.; Drew, S.C.; Pilbrow, J.R.; Boyd, P.D.W.; Paul, P.; Reed, C.A.; Sun, D.

2003-01-01

Full text: The ESTN (Electron Spin Transient Nutation) EPR (Electron Paramagnetic Resonance) experiments reported at Wagga 2002 showed that the spin states of the reduced fullerenes C 120 O (2-), C 120 O (3-) and C 120 O (4-) were S = 1, S = 1/2 and S = 1 respectively. Further experiments using CW (Continuous Wave) EPR have confirmed the results of Paul et al. and have now shown that these states are the ground states of these anions. In the case of C 60 (3-), the recent CW and ESTN EPR experiments have shown that the electronic ground state of this anion is S = 1/2. The observation of ground states of low multiplicity for these anions is contrary to expectations based on MO calculations and the application of Hund's rules. A series of CW EPR experiments on C 60 (3-) have shown that some previous results may need to be re-interpreted. This arises from the delineation of the effects of microwave power, modulation amplitude and frequency, sample temperature and freezing rate on the EPR spectrum which is the combination of a broad line, attributed to C 60 (3-), and a 'spike' attributed to C 120 O impurities and other oxygen related species. Our results cast doubt on the existence of Jahn-Teller effects at low temperatures and of a low-lying spin quartet excited state

Low-Lying Electronic States of AlZn Calculated by MRCI+Q Method

Science.gov (United States)

Zhang, Shudong; Wang, Mingxu; Wang, Zifan; Hu, Kun; Dong, Jingping

2017-07-01

Some low-lying electronic states of AlZn have been studied by the ab initio calculation method of multireference configuration interaction (MRCI). The complete potential energy curves (PECs) of the three lowest doublet states (X2Π, A2Σ+, and B2Π) and the two lowest quartet states (a4Σ- and b4Π) are computed in the range of R = 0.1-0.9 nm and these states are correlated to three dissociation limits, X2Π and A2Σ+ to Zn(4s2,1S) + Al(3s23p1,2P), a4Σ- and b4Π to Zn(4s2,1S) + Al(3s13p2,4P), and B2Π to Zn(4s14p1,3P) + Al(3s23p1,2P). The calculated PECs indicate that the A2Σ+ state has a very shallow potential well and the other states show significant binding-state characteristics. The equilibrium internuclear distances Re, dissociation energies De, and term energies Te for the electronic excited states were obtained. All the possible vibrational levels, rotational constants, and spectral constants for the four bound states were computed by solving the radial Schrödinger equation of nuclear motion with the Level8.0 program provided by Le Roy.

Electron-impact excitation of Fe II: Effective collision strengths for optically allowed fine-structure transitions

International Nuclear Information System (INIS)

Ramsbottom, C.A.

2009-01-01

In this paper, we present collision strengths and Maxwellian averaged effective collision strengths for the electron-impact excitation of Fe II. We consider specifically the optically allowed lines for transitions from the 3d 6 4s and 3d 7 even parity configuration states to the 3d 6 4p odd parity configuration levels. The parallel suite of Breit-Pauli codes are utilized to compute the collision cross-sections where relativistic effects are included explicitly in both the target and the scattering approximation. A total of 100 LS or 262-jj levels formed from the basis configurations 3d 6 4s, 3d 7 and 3d 6 4p were included in the wavefunction representation of the target, including all doublet, quartet and sextet terms. The Maxwellian averaged effective collision strengths are computed across a wide range of electron temperatures from 100 to 100,000 K, temperatures of importance in astrophysical and plasma applications. A detailed comparison is made with previous works and significant differences were found to occur for some of the transitions considered. We conclude that in order to obtain converged collision strengths and effective collision strengths for these allowed transitions it is necessary to include contributions from partial waves up to L = 50 explicitly in the calculation, and in addition, account for contributions from even higher partial waves through a 'top up' procedure.

Primary visual cortex activity along the apparent-motion trace reflects illusory perception.

Directory of Open Access Journals (Sweden)

Lars Muckli

2005-08-01

Full Text Available The illusion of apparent motion can be induced when visual stimuli are successively presented at different locations. It has been shown in previous studies that motion-sensitive regions in extrastriate cortex are relevant for the processing of apparent motion, but it is unclear whether primary visual cortex (V1 is also involved in the representation of the illusory motion path. We investigated, in human subjects, apparent-motion-related activity in patches of V1 representing locations along the path of illusory stimulus motion using functional magnetic resonance imaging. Here we show that apparent motion caused a blood-oxygenation-level-dependent response along the V1 representations of the apparent-motion path, including regions that were not directly activated by the apparent-motion-inducing stimuli. This response was unaltered when participants had to perform an attention-demanding task that diverted their attention away from the stimulus. With a bistable motion quartet, we confirmed that the activity was related to the conscious perception of movement. Our data suggest that V1 is part of the network that represents the illusory path of apparent motion. The activation in V1 can be explained either by lateral interactions within V1 or by feedback mechanisms from higher visual areas, especially the motion-sensitive human MT/V5 complex.

Structural, (197)Au Mössbauer and solid state (31)P CP/MAS NMR studies on bis (cis-bis(diphenylphosphino)ethylene) gold(I) complexes [Au(dppey)(2)]X for X = PF(6), I.

Science.gov (United States)

Healy, Peter C; Loughrey, Bradley T; Bowmaker, Graham A; Hanna, John V

2008-07-28

(197)Au Mössbauer spectra for the d(10) gold(i) phosphine complexes, [Au(dppey)(2)]X (X = PF(6), I; dppey = (cis-bis(diphenylphosphino)ethylene), and the single crystal X-ray structure and solid state (31)P CPMAS NMR spectrum of [Au(dppey)(2)]I are reported here. In [Au(dppey)(2)]I the AuP(4) coordination geometry is distorted from the approximately D(2) symmetry observed for the PF(6)(-) complex with Au-P bond lengths 2.380(2)-2.426(2) A and inter-ligand P-Au-P angles 110.63(5)-137.71(8) degrees . Quadrupole splitting parameters derived from the Mössbauer spectra are consistent with the increased distortion of the AuP(4) coordination sphere with values of 1.22 and 1.46 mm s(-1) for the PF(6)(-) and I(-) complexes respectively. In the solid state (31)P CP MAS NMR spectrum of [Au(dppey)(2)]I, signals for each of the four crystallographically independent phosphorus nuclei are observed, with the magnitude of the (197)Au quadrupole coupling being sufficiently large to produce a collapse of (1)J(Au-P) splitting from quartets to doublets. The results highlight the important role played by the counter anion in the determination of the structural and spectroscopic properties of these sterically crowded d(10) complexes.

The N2O activation by Rh5 clusters. A quantum chemistry study.

Science.gov (United States)

Olvera-Neria, Oscar; Avilés, Roberto; Francisco-Rodríguez, Héctor; Bertin, Virineya; García-Cruz, Raúl; González-Torres, Julio César; Poulain, Enrique

2015-04-01

Nitrous oxide (N2O) is a by-product of exhaust pipe gases treatment produced by motor vehicles. Therefore, the N2O reduction to N2 is necessary to meet the actual environmental legislation. The N2O adsorption and dissociation assisted by the square-based pyramidal Rh5 cluster was investigated using the density functional theory and the zero-order regular approximation (ZORA). The Rh5 sextet ground state is the most active in N2O dissociation, though the quartet and octet states are also active because they are degenerate. The Rh5 cluster spontaneously activates the N2─O cleavage, and the reaction is highly exothermic ca. -75 kcal mol(-1). The N2─O breaking is obtained for the geometrical arrangement that maximizes the overlap and electron transfers between the N2O and Rh5 frontier orbitals. The Rh5 high activity is due to the Rh 3d orbitals are located between the N2O HOMO and LUMO orbitals, which makes possible the interactions between them. In particular, the O 2p states strongly interact with Rh 3d orbitals, which finally weaken the N2─O bond. The electron transfer is from the Rh5 HOMO orbital to the N2O antibonding orbital.

Mineralogic Model (MM3.0) Analysis Model Report

Energy Technology Data Exchange (ETDEWEB)

C. Lum

2002-02-12

The purpose of this report is to document the Mineralogic Model (MM), Version 3.0 (MM3.0) with regard to data input, modeling methods, assumptions, uncertainties, limitations and validation of the model results, qualification status of the model, and the differences between Version 3.0 and previous versions. A three-dimensional (3-D) Mineralogic Model was developed for Yucca Mountain to support the analyses of hydrologic properties, radionuclide transport, mineral health hazards, repository performance, and repository design. Version 3.0 of the MM was developed from mineralogic data obtained from borehole samples. It consists of matrix mineral abundances as a function of x (easting), y (northing), and z (elevation), referenced to the stratigraphic framework defined in Version 3.1 of the Geologic Framework Model (GFM). The MM was developed specifically for incorporation into the 3-D Integrated Site Model (ISM). The MM enables project personnel to obtain calculated mineral abundances at any position, within any region, or within any stratigraphic unit in the model area. The significance of the MM for key aspects of site characterization and performance assessment is explained in the following subsections. This work was conducted in accordance with the Development Plan for the MM (CRWMS M&O 2000). The planning document for this Rev. 00, ICN 02 of this AMR is Technical Work Plan, TWP-NBS-GS-000003, Technical Work Plan for the Integrated Site Model, Process Model Report, Revision 01 (CRWMS M&O 2000). The purpose of this ICN is to record changes in the classification of input status by the resolution of the use of TBV software and data in this report. Constraints and limitations of the MM are discussed in the appropriate sections that follow. The MM is one component of the ISM, which has been developed to provide a consistent volumetric portrayal of the rock layers, rock properties, and mineralogy of the Yucca Mountain site. The ISM consists of three components: (1

Mineralogic Model (MM3.0) Analysis Model Report

International Nuclear Information System (INIS)

Lum, C.

2002-01-01

The purpose of this report is to document the Mineralogic Model (MM), Version 3.0 (MM3.0) with regard to data input, modeling methods, assumptions, uncertainties, limitations and validation of the model results, qualification status of the model, and the differences between Version 3.0 and previous versions. A three-dimensional (3-D) Mineralogic Model was developed for Yucca Mountain to support the analyses of hydrologic properties, radionuclide transport, mineral health hazards, repository performance, and repository design. Version 3.0 of the MM was developed from mineralogic data obtained from borehole samples. It consists of matrix mineral abundances as a function of x (easting), y (northing), and z (elevation), referenced to the stratigraphic framework defined in Version 3.1 of the Geologic Framework Model (GFM). The MM was developed specifically for incorporation into the 3-D Integrated Site Model (ISM). The MM enables project personnel to obtain calculated mineral abundances at any position, within any region, or within any stratigraphic unit in the model area. The significance of the MM for key aspects of site characterization and performance assessment is explained in the following subsections. This work was conducted in accordance with the Development Plan for the MM (CRWMS M and O 2000). The planning document for this Rev. 00, ICN 02 of this AMR is Technical Work Plan, TWP-NBS-GS-000003, Technical Work Plan for the Integrated Site Model, Process Model Report, Revision 01 (CRWMS M and O 2000). The purpose of this ICN is to record changes in the classification of input status by the resolution of the use of TBV software and data in this report. Constraints and limitations of the MM are discussed in the appropriate sections that follow. The MM is one component of the ISM, which has been developed to provide a consistent volumetric portrayal of the rock layers, rock properties, and mineralogy of the Yucca Mountain site. The ISM consists of three components

Measuring the radium quartet ({sup 228}Ra, {sup 226}Ra, {sup 224}Ra, {sup 223}Ra) in seawater samples using gamma spectrometry

Energy Technology Data Exchange (ETDEWEB)

Beek, P. van, E-mail: vanbeek@legos.obs-mip.f [LEGOS, Laboratoire d' Etudes en Geophysique et Oceanographie Spatiales (CNRS/CNES/IRD/UPS), Observatoire Midi Pyrenees, 14 Avenue Edouard Belin, 31400 Toulouse (France); Souhaut, M. [LEGOS, Laboratoire d' Etudes en Geophysique et Oceanographie Spatiales (CNRS/CNES/IRD/UPS), Observatoire Midi Pyrenees, 14 Avenue Edouard Belin, 31400 Toulouse (France); Reyss, J.-L. [LSCE, Laboratoire des Sciences du Climat et de l' Environnement (CNRS/CEA/UVSQ), Avenue de la Terrasse, 91198 Gif-sur-Yvette (France)

2010-07-15

Radium isotopes are widely used in marine studies (eg. to trace water masses, to quantify mixing processes or to study submarine groundwater discharge). While {sup 228}Ra and {sup 226}Ra are usually measured using gamma spectrometry, short-lived Ra isotopes ({sup 224}Ra and {sup 223}Ra) are usually measured using a Radium Delayed Coincidence Counter (RaDeCC). Here we show that the four radium isotopes can be analyzed using gamma spectrometry. We report {sup 226}Ra, {sup 228}Ra, {sup 224}Ra, {sup 223}Ra activities measured using low-background gamma spectrometry in standard samples, in water samples collected in the vicinity of our laboratory (La Palme and Vaccares lagoons, France) but also in seawater samples collected in the plume of the Amazon river, off French Guyana (AMANDES project). The {sup 223}Ra and {sup 224}Ra activities determined in these samples using gamma spectrometry were compared to the activities determined using RaDeCC. Activities determined using the two techniques are in good agreement. Uncertainties associated with the {sup 224}Ra activities are similar for the two techniques. RaDeCC is more sensitive for the detection of low {sup 223}Ra activities. Gamma spectrometry thus constitutes an alternate method for the determination of short-lived Ra isotopes.

On the properties of quartet and quintet invariants and triplet seminvariants and their application in direct methods for X-ray structure determination

International Nuclear Information System (INIS)

Putten, N. van der.

1980-01-01

Expressions for the estimation of five-phase structure invariants and enantiomorph-sensitive three-phase (semin)variants and their applications in enantiomorph specific phase determination are presented. (Auth.)

ERM model analysis for adaptation to hydrological model errors

Science.gov (United States)

Baymani-Nezhad, M.; Han, D.

2018-05-01

Hydrological conditions are changed continuously and these phenomenons generate errors on flood forecasting models and will lead to get unrealistic results. Therefore, to overcome these difficulties, a concept called model updating is proposed in hydrological studies. Real-time model updating is one of the challenging processes in hydrological sciences and has not been entirely solved due to lack of knowledge about the future state of the catchment under study. Basically, in terms of flood forecasting process, errors propagated from the rainfall-runoff model are enumerated as the main source of uncertainty in the forecasting model. Hence, to dominate the exciting errors, several methods have been proposed by researchers to update the rainfall-runoff models such as parameter updating, model state updating, and correction on input data. The current study focuses on investigations about the ability of rainfall-runoff model parameters to cope with three types of existing errors, timing, shape and volume as the common errors in hydrological modelling. The new lumped model, the ERM model, has been selected for this study to evaluate its parameters for its use in model updating to cope with the stated errors. Investigation about ten events proves that the ERM model parameters can be updated to cope with the errors without the need to recalibrate the model.

Model documentation report: Short-Term Hydroelectric Generation Model

International Nuclear Information System (INIS)

1993-08-01

The purpose of this report is to define the objectives of the Short- Term Hydroelectric Generation Model (STHGM), describe its basic approach, and to provide details on the model structure. This report is intended as a reference document for model analysts, users, and the general public. Documentation of the model is in accordance with the Energy Information Administration's (AYE) legal obligation to provide adequate documentation in support of its models (Public Law 94-385, Section 57.b.2). The STHGM performs a short-term (18 to 27- month) forecast of hydroelectric generation in the United States using an autoregressive integrated moving average (UREMIA) time series model with precipitation as an explanatory variable. The model results are used as input for the short-term Energy Outlook

Geochemistry Model Validation Report: External Accumulation Model

International Nuclear Information System (INIS)

Zarrabi, K.

2001-01-01

The purpose of this Analysis and Modeling Report (AMR) is to validate the External Accumulation Model that predicts accumulation of fissile materials in fractures and lithophysae in the rock beneath a degrading waste package (WP) in the potential monitored geologic repository at Yucca Mountain. (Lithophysae are voids in the rock having concentric shells of finely crystalline alkali feldspar, quartz, and other materials that were formed due to entrapped gas that later escaped, DOE 1998, p. A-25.) The intended use of this model is to estimate the quantities of external accumulation of fissile material for use in external criticality risk assessments for different types of degrading WPs: U.S. Department of Energy (DOE) Spent Nuclear Fuel (SNF) codisposed with High Level Waste (HLW) glass, commercial SNF, and Immobilized Plutonium Ceramic (Pu-ceramic) codisposed with HLW glass. The scope of the model validation is to (1) describe the model and the parameters used to develop the model, (2) provide rationale for selection of the parameters by comparisons with measured values, and (3) demonstrate that the parameters chosen are the most conservative selection for external criticality risk calculations. To demonstrate the applicability of the model, a Pu-ceramic WP is used as an example. The model begins with a source term from separately documented EQ6 calculations; where the source term is defined as the composition versus time of the water flowing out of a breached waste package (WP). Next, PHREEQC, is used to simulate the transport and interaction of the source term with the resident water and fractured tuff below the repository. In these simulations the primary mechanism for accumulation is mixing of the high pH, actinide-laden source term with resident water; thus lowering the pH values sufficiently for fissile minerals to become insoluble and precipitate. In the final section of the model, the outputs from PHREEQC, are processed to produce mass of accumulation

Model uncertainty: Probabilities for models?

International Nuclear Information System (INIS)

Winkler, R.L.

1994-01-01

Like any other type of uncertainty, model uncertainty should be treated in terms of probabilities. The question is how to do this. The most commonly-used approach has a drawback related to the interpretation of the probabilities assigned to the models. If we step back and look at the big picture, asking what the appropriate focus of the model uncertainty question should be in the context of risk and decision analysis, we see that a different probabilistic approach makes more sense, although it raise some implementation questions. Current work that is underway to address these questions looks very promising

Model evaluation methodology applicable to environmental assessment models

International Nuclear Information System (INIS)

Shaeffer, D.L.

1979-08-01

A model evaluation methodology is presented to provide a systematic framework within which the adequacy of environmental assessment models might be examined. The necessity for such a tool is motivated by the widespread use of models for predicting the environmental consequences of various human activities and by the reliance on these model predictions for deciding whether a particular activity requires the deployment of costly control measures. Consequently, the uncertainty associated with prediction must be established for the use of such models. The methodology presented here consists of six major tasks: model examination, algorithm examination, data evaluation, sensitivity analyses, validation studies, and code comparison. This methodology is presented in the form of a flowchart to show the logical interrelatedness of the various tasks. Emphasis has been placed on identifying those parameters which are most important in determining the predictive outputs of a model. Importance has been attached to the process of collecting quality data. A method has been developed for analyzing multiplicative chain models when the input parameters are statistically independent and lognormally distributed. Latin hypercube sampling has been offered as a promising candidate for doing sensitivity analyses. Several different ways of viewing the validity of a model have been presented. Criteria are presented for selecting models for environmental assessment purposes

Galactic models

International Nuclear Information System (INIS)

Buchler, J.R.; Gottesman, S.T.; Hunter, J.H. Jr.

1990-01-01

Various papers on galactic models are presented. Individual topics addressed include: observations relating to galactic mass distributions; the structure of the Galaxy; mass distribution in spiral galaxies; rotation curves of spiral galaxies in clusters; grand design, multiple arm, and flocculent spiral galaxies; observations of barred spirals; ringed galaxies; elliptical galaxies; the modal approach to models of galaxies; self-consistent models of spiral galaxies; dynamical models of spiral galaxies; N-body models. Also discussed are: two-component models of galaxies; simulations of cloudy, gaseous galactic disks; numerical experiments on the stability of hot stellar systems; instabilities of slowly rotating galaxies; spiral structure as a recurrent instability; model gas flows in selected barred spiral galaxies; bar shapes and orbital stochasticity; three-dimensional models; polar ring galaxies; dynamical models of polar rings

A Model-Model and Data-Model Comparison for the Early Eocene Hydrological Cycle

Science.gov (United States)

Carmichael, Matthew J.; Lunt, Daniel J.; Huber, Matthew; Heinemann, Malte; Kiehl, Jeffrey; LeGrande, Allegra; Loptson, Claire A.; Roberts, Chris D.; Sagoo, Navjit; Shields, Christine

2016-01-01

A range of proxy observations have recently provided constraints on how Earth's hydrological cycle responded to early Eocene climatic changes. However, comparisons of proxy data to general circulation model (GCM) simulated hydrology are limited and inter-model variability remains poorly characterised. In this work, we undertake an intercomparison of GCM-derived precipitation and P - E distributions within the extended EoMIP ensemble (Eocene Modelling Intercomparison Project; Lunt et al., 2012), which includes previously published early Eocene simulations performed using five GCMs differing in boundary conditions, model structure, and precipitation-relevant parameterisation schemes. We show that an intensified hydrological cycle, manifested in enhanced global precipitation and evaporation rates, is simulated for all Eocene simulations relative to the preindustrial conditions. This is primarily due to elevated atmospheric paleo-CO2, resulting in elevated temperatures, although the effects of differences in paleogeography and ice sheets are also important in some models. For a given CO2 level, globally averaged precipitation rates vary widely between models, largely arising from different simulated surface air temperatures. Models with a similar global sensitivity of precipitation rate to temperature (dP=dT ) display different regional precipitation responses for a given temperature change. Regions that are particularly sensitive to model choice include the South Pacific, tropical Africa, and the Peri-Tethys, which may represent targets for future proxy acquisition. A comparison of early and middle Eocene leaf-fossil-derived precipitation estimates with the GCM output illustrates that GCMs generally underestimate precipitation rates at high latitudes, although a possible seasonal bias of the proxies cannot be excluded. Models which warm these regions, either via elevated CO2 or by varying poorly constrained model parameter values, are most successful in simulating a

The Bond Fluctuation Model and Other Lattice Models

Science.gov (United States)

Müller, Marcus

Lattice models constitute a class of coarse-grained representations of polymeric materials. They have enjoyed a longstanding tradition for investigating the universal behavior of long chain molecules by computer simulations and enumeration techniques. A coarse-grained representation is often necessary to investigate properties on large time- and length scales. First, some justification for using lattice models will be given and the benefits and limitations will be discussed. Then, the bond fluctuation model by Carmesin and Kremer [1] is placed into the context of other lattice models and compared to continuum models. Some specific techniques for measuring the pressure in lattice models will be described. The bond fluctuation model has been employed in more than 100 simulation studies in the last decade and only few selected applications can be mentioned.

A Distributed Snow Evolution Modeling System (SnowModel)

Science.gov (United States)

Liston, G. E.; Elder, K.

2004-12-01

A spatially distributed snow-evolution modeling system (SnowModel) has been specifically designed to be applicable over a wide range of snow landscapes, climates, and conditions. To reach this goal, SnowModel is composed of four sub-models: MicroMet defines the meteorological forcing conditions, EnBal calculates surface energy exchanges, SnowMass simulates snow depth and water-equivalent evolution, and SnowTran-3D accounts for snow redistribution by wind. While other distributed snow models exist, SnowModel is unique in that it includes a well-tested blowing-snow sub-model (SnowTran-3D) for application in windy arctic, alpine, and prairie environments where snowdrifts are common. These environments comprise 68% of the seasonally snow-covered Northern Hemisphere land surface. SnowModel also accounts for snow processes occurring in forested environments (e.g., canopy interception related processes). SnowModel is designed to simulate snow-related physical processes occurring at spatial scales of 5-m and greater, and temporal scales of 1-hour and greater. These include: accumulation from precipitation; wind redistribution and sublimation; loading, unloading, and sublimation within forest canopies; snow-density evolution; and snowpack ripening and melt. To enhance its wide applicability, SnowModel includes the physical calculations required to simulate snow evolution within each of the global snow classes defined by Sturm et al. (1995), e.g., tundra, taiga, alpine, prairie, maritime, and ephemeral snow covers. The three, 25-km by 25-km, Cold Land Processes Experiment (CLPX) mesoscale study areas (MSAs: Fraser, North Park, and Rabbit Ears) are used as SnowModel simulation examples to highlight model strengths, weaknesses, and features in forested, semi-forested, alpine, and shrubland environments.

Event-based model diagnosis of rainfall-runoff model structures

International Nuclear Information System (INIS)

Stanzel, P.

2012-01-01

The objective of this research is a comparative evaluation of different rainfall-runoff model structures. Comparative model diagnostics facilitate the assessment of strengths and weaknesses of each model. The application of multiple models allows an analysis of simulation uncertainties arising from the selection of model structure, as compared with effects of uncertain parameters and precipitation input. Four different model structures, including conceptual and physically based approaches, are compared. In addition to runoff simulations, results for soil moisture and the runoff components of overland flow, interflow and base flow are analysed. Catchment runoff is simulated satisfactorily by all four model structures and shows only minor differences. Systematic deviations from runoff observations provide insight into model structural deficiencies. While physically based model structures capture some single runoff events better, they do not generally outperform conceptual model structures. Contributions to uncertainty in runoff simulations stemming from the choice of model structure show similar dimensions to those arising from parameter selection and the representation of precipitation input. Variations in precipitation mainly affect the general level and peaks of runoff, while different model structures lead to different simulated runoff dynamics. Large differences between the four analysed models are detected for simulations of soil moisture and, even more pronounced, runoff components. Soil moisture changes are more dynamical in the physically based model structures, which is in better agreement with observations. Streamflow contributions of overland flow are considerably lower in these models than in the more conceptual approaches. Observations of runoff components are rarely made and are not available in this study, but are shown to have high potential for an effective selection of appropriate model structures (author) [de

Observation-Based Modeling for Model-Based Testing

NARCIS (Netherlands)

Kanstrén, T.; Piel, E.; Gross, H.G.

2009-01-01

One of the single most important reasons that modeling and modelbased testing are not yet common practice in industry is the perceived difficulty of making the models up to the level of detail and quality required for their automated processing. Models unleash their full potential only through

Multi-Hypothesis Modelling Capabilities for Robust Data-Model Integration

Science.gov (United States)

Walker, A. P.; De Kauwe, M. G.; Lu, D.; Medlyn, B.; Norby, R. J.; Ricciuto, D. M.; Rogers, A.; Serbin, S.; Weston, D. J.; Ye, M.; Zaehle, S.

2017-12-01

Large uncertainty is often inherent in model predictions due to imperfect knowledge of how to describe the mechanistic processes (hypotheses) that a model is intended to represent. Yet this model hypothesis uncertainty (MHU) is often overlooked or informally evaluated, as methods to quantify and evaluate MHU are limited. MHU is increased as models become more complex because each additional processes added to a model comes with inherent MHU as well as parametric unceratinty. With the current trend of adding more processes to Earth System Models (ESMs), we are adding uncertainty, which can be quantified for parameters but not MHU. Model inter-comparison projects do allow for some consideration of hypothesis uncertainty but in an ad hoc and non-independent fashion. This has stymied efforts to evaluate ecosystem models against data and intepret the results mechanistically because it is not simple to interpret exactly why a model is producing the results it does and identify which model assumptions are key as they combine models of many sub-systems and processes, each of which may be conceptualised and represented mathematically in various ways. We present a novel modelling framework—the multi-assumption architecture and testbed (MAAT)—that automates the combination, generation, and execution of a model ensemble built with different representations of process. We will present the argument that multi-hypothesis modelling needs to be considered in conjunction with other capabilities (e.g. the Predictive Ecosystem Analyser; PecAn) and statistical methods (e.g. sensitivity anaylsis, data assimilation) to aid efforts in robust data model integration to enhance our predictive understanding of biological systems.

Process models and model-data fusion in dendroecology

Directory of Open Access Journals (Sweden)

Joel eGuiot

2014-08-01

Full Text Available Dendrochronology (i.e. the study of annually dated tree-ring time series has proved to be a powerful technique to understand tree-growth. This paper intends to show the interest of using ecophysiological modeling not only to understand and predict tree-growth (dendroecology but also to reconstruct past climates (dendroclimatology. Process models have been used for several decades in dendroclimatology, but it is only recently that methods of model-data fusion have led to significant progress in modeling tree-growth as a function of climate and in reconstructing past climates. These model-data fusion (MDF methods, mainly based on the Bayesian paradigm, have been shown to be powerful for both model calibration and model inversion. After a rapid survey of tree-growth modeling, we illustrate MDF with examples based on series of Southern France Aleppo pines and Central France oaks. These examples show that if plants experienced CO2 fertilization, this would have a significant effect on tree-growth which in turn would bias the climate reconstructions. This bias could be extended to other environmental non-climatic factors directly or indirectly affecting annual ring formation and not taken into account in classical empirical models, which supports the use of more complex process-based models. Finally, we conclude by showing the interest of the data assimilation methods applied in climatology to produce climate re-analyses.

`Models of' versus `Models for'. Toward an Agent-Based Conception of Modeling in the Science Classroom

Science.gov (United States)

Gouvea, Julia; Passmore, Cynthia

2017-03-01

The inclusion of the practice of "developing and using models" in the Framework for K-12 Science Education and in the Next Generation Science Standards provides an opportunity for educators to examine the role this practice plays in science and how it can be leveraged in a science classroom. Drawing on conceptions of models in the philosophy of science, we bring forward an agent-based account of models and discuss the implications of this view for enacting modeling in science classrooms. Models, according to this account, can only be understood with respect to the aims and intentions of a cognitive agent (models for), not solely in terms of how they represent phenomena in the world (models of). We present this contrast as a heuristic— models of versus models for—that can be used to help educators notice and interpret how models are positioned in standards, curriculum, and classrooms.

Eclipse models

International Nuclear Information System (INIS)

Michel, F.C.

1989-01-01

Three existing eclipse models for the PSR 1957 + 20 pulsar are discussed in terms of their requirements and the information they yield about the pulsar wind: the interacting wind from a companion model, the magnetosphere model, and the occulting disk model. It is shown out that the wind model requires an MHD wind from the pulsar, with enough particles that the Poynting flux of the wind can be thermalized; in this model, a large flux of energetic radiation from the pulsar is required to accompany the wind and drive the wind off the companion. The magnetosphere model requires an EM wind, which is Poynting flux dominated; the advantage of this model over the wind model is that the plasma density inside the magnetosphere can be orders of magnitude larger than in a magnetospheric tail blown back by wind interaction. The occulting disk model also requires an EM wind so that the interaction would be pushed down onto the companion surface, minimizing direct interaction of the wind with the orbiting macroscopic particles

Thermal unit availability modeling in a regional simulation model

International Nuclear Information System (INIS)

Yamayee, Z.A.; Port, J.; Robinett, W.

1983-01-01

The System Analysis Model (SAM) developed under the umbrella of PNUCC's System Analysis Committee is capable of simulating the operation of a given load/resource scenario. This model employs a Monte-Carlo simulation to incorporate uncertainties. Among uncertainties modeled is thermal unit availability both for energy simulation (seasonal) and capacity simulations (hourly). This paper presents the availability modeling in the capacity and energy models. The use of regional and national data in deriving the two availability models, the interaction between the two and modifications made to the capacity model in order to reflect regional practices is presented. A sample problem is presented to show the modification process. Results for modeling a nuclear unit using NERC-GADS is presented

Using the Model Coupling Toolkit to couple earth system models

Science.gov (United States)

Warner, J.C.; Perlin, N.; Skyllingstad, E.D.

2008-01-01

Continued advances in computational resources are providing the opportunity to operate more sophisticated numerical models. Additionally, there is an increasing demand for multidisciplinary studies that include interactions between different physical processes. Therefore there is a strong desire to develop coupled modeling systems that utilize existing models and allow efficient data exchange and model control. The basic system would entail model "1" running on "M" processors and model "2" running on "N" processors, with efficient exchange of model fields at predetermined synchronization intervals. Here we demonstrate two coupled systems: the coupling of the ocean circulation model Regional Ocean Modeling System (ROMS) to the surface wave model Simulating WAves Nearshore (SWAN), and the coupling of ROMS to the atmospheric model Coupled Ocean Atmosphere Prediction System (COAMPS). Both coupled systems use the Model Coupling Toolkit (MCT) as a mechanism for operation control and inter-model distributed memory transfer of model variables. In this paper we describe requirements and other options for model coupling, explain the MCT library, ROMS, SWAN and COAMPS models, methods for grid decomposition and sparse matrix interpolation, and provide an example from each coupled system. Methods presented in this paper are clearly applicable for coupling of other types of models. ?? 2008 Elsevier Ltd. All rights reserved.

Modeling Non-Gaussian Time Series with Nonparametric Bayesian Model.

Science.gov (United States)

Xu, Zhiguang; MacEachern, Steven; Xu, Xinyi

2015-02-01

We present a class of Bayesian copula models whose major components are the marginal (limiting) distribution of a stationary time series and the internal dynamics of the series. We argue that these are the two features with which an analyst is typically most familiar, and hence that these are natural components with which to work. For the marginal distribution, we use a nonparametric Bayesian prior distribution along with a cdf-inverse cdf transformation to obtain large support. For the internal dynamics, we rely on the traditionally successful techniques of normal-theory time series. Coupling the two components gives us a family of (Gaussian) copula transformed autoregressive models. The models provide coherent adjustments of time scales and are compatible with many extensions, including changes in volatility of the series. We describe basic properties of the models, show their ability to recover non-Gaussian marginal distributions, and use a GARCH modification of the basic model to analyze stock index return series. The models are found to provide better fit and improved short-range and long-range predictions than Gaussian competitors. The models are extensible to a large variety of fields, including continuous time models, spatial models, models for multiple series, models driven by external covariate streams, and non-stationary models.

The Real and the Mathematical in Quantum Modeling: From Principles to Models and from Models to Principles

Science.gov (United States)

Plotnitsky, Arkady

2017-06-01

The history of mathematical modeling outside physics has been dominated by the use of classical mathematical models, C-models, primarily those of a probabilistic or statistical nature. More recently, however, quantum mathematical models, Q-models, based in the mathematical formalism of quantum theory have become more prominent in psychology, economics, and decision science. The use of Q-models in these fields remains controversial, in part because it is not entirely clear whether Q-models are necessary for dealing with the phenomena in question or whether C-models would still suffice. My aim, however, is not to assess the necessity of Q-models in these fields, but instead to reflect on what the possible applicability of Q-models may tell us about the corresponding phenomena there, vis-à-vis quantum phenomena in physics. In order to do so, I shall first discuss the key reasons for the use of Q-models in physics. In particular, I shall examine the fundamental principles that led to the development of quantum mechanics. Then I shall consider a possible role of similar principles in using Q-models outside physics. Psychology, economics, and decision science borrow already available Q-models from quantum theory, rather than derive them from their own internal principles, while quantum mechanics was derived from such principles, because there was no readily available mathematical model to handle quantum phenomena, although the mathematics ultimately used in quantum did in fact exist then. I shall argue, however, that the principle perspective on mathematical modeling outside physics might help us to understand better the role of Q-models in these fields and possibly to envision new models, conceptually analogous to but mathematically different from those of quantum theory, helpful or even necessary there or in physics itself. I shall suggest one possible type of such models, singularized probabilistic, SP, models, some of which are time-dependent, TDSP-models. The

Optimisation of BPMN Business Models via Model Checking

DEFF Research Database (Denmark)

Herbert, Luke Thomas; Sharp, Robin

2013-01-01

We present a framework for the optimisation of business processes modelled in the business process modelling language BPMN, which builds upon earlier work, where we developed a model checking based method for the analysis of BPMN models. We define a structure for expressing optimisation goals...... for synthesized BPMN components, based on probabilistic computation tree logic and real-valued reward structures of the BPMN model, allowing for the specification of complex quantitative goals. We here present a simple algorithm, inspired by concepts from evolutionary algorithms, which iteratively generates...

PENGGUNAAN THE ZMIJEWSKI MODEL, THE ALTMAN MODEL, DAN THE SPRINGATE MODEL SEBAGAI PREDIKTOR DELISTING

Directory of Open Access Journals (Sweden)

Mila Fatmawati

2017-03-01

Full Text Available The purpose of this study was to investigate empirical evidence that the Zmijewski model, the Altman model, andthe Springate models could be used as a predictor of delisting the company. Object of this study was to remove thelist of companies that trade shares (delisted in Indonesia Stock Exchange in 2003-2009. As a benchmark forcompanies delisted at the top used companies that were still listed on the Stock Exchange with the same numberand kind of business field. Comparison samples were taken randomly over the same period with the companydelisted. The method of analysis used logic regression. The results found that from the three delisting of predictormodels, only the Zmijewski models that could be used to predict the company delisted in the period of observation,while the Altman model and the Springate models could not be used as predictive models delisting. It is becauseThe Zmijewski model emphasized amounts of debt in predict delisting. The bigger the debt was, it would be moreaccurate in predicting as the company’s delisting. Meanwhile, the Altman model and the Springate modelemphasized more on profitability measures. The smaller the profitability was, the more precisely to predictcompany’s delisting. Condition of delisting the company that became object of observation company trends wasstill able to get profit, but it had a relative amount of debt.

Process modelling on a canonical basis[Process modelling; Canonical modelling

Energy Technology Data Exchange (ETDEWEB)

Siepmann, Volker

2006-12-20

Based on an equation oriented solving strategy, this thesis investigates a new approach to process modelling. Homogeneous thermodynamic state functions represent consistent mathematical models of thermodynamic properties. Such state functions of solely extensive canonical state variables are the basis of this work, as they are natural objective functions in optimisation nodes to calculate thermodynamic equilibrium regarding phase-interaction and chemical reactions. Analytical state function derivatives are utilised within the solution process as well as interpreted as physical properties. By this approach, only a limited range of imaginable process constraints are considered, namely linear balance equations of state variables. A second-order update of source contributions to these balance equations is obtained by an additional constitutive equation system. These equations are general dependent on state variables and first-order sensitivities, and cover therefore practically all potential process constraints. Symbolic computation technology efficiently provides sparsity and derivative information of active equations to avoid performance problems regarding robustness and computational effort. A benefit of detaching the constitutive equation system is that the structure of the main equation system remains unaffected by these constraints, and a priori information allows to implement an efficient solving strategy and a concise error diagnosis. A tailor-made linear algebra library handles the sparse recursive block structures efficiently. The optimisation principle for single modules of thermodynamic equilibrium is extended to host entire process models. State variables of different modules interact through balance equations, representing material flows from one module to the other. To account for reusability and encapsulation of process module details, modular process modelling is supported by a recursive module structure. The second-order solving algorithm makes it

Generalized latent variable modeling multilevel, longitudinal, and structural equation models

CERN Document Server

Skrondal, Anders; Rabe-Hesketh, Sophia

2004-01-01

This book unifies and extends latent variable models, including multilevel or generalized linear mixed models, longitudinal or panel models, item response or factor models, latent class or finite mixture models, and structural equation models.

A Lagrangian mixing frequency model for transported PDF modeling

Science.gov (United States)

Turkeri, Hasret; Zhao, Xinyu

2017-11-01

In this study, a Lagrangian mixing frequency model is proposed for molecular mixing models within the framework of transported probability density function (PDF) methods. The model is based on the dissipations of mixture fraction and progress variables obtained from Lagrangian particles in PDF methods. The new model is proposed as a remedy to the difficulty in choosing the optimal model constant parameters when using conventional mixing frequency models. The model is implemented in combination with the Interaction by exchange with the mean (IEM) mixing model. The performance of the new model is examined by performing simulations of Sandia Flame D and the turbulent premixed flame from the Cambridge stratified flame series. The simulations are performed using the pdfFOAM solver which is a LES/PDF solver developed entirely in OpenFOAM. A 16-species reduced mechanism is used to represent methane/air combustion, and in situ adaptive tabulation is employed to accelerate the finite-rate chemistry calculations. The results are compared with experimental measurements as well as with the results obtained using conventional mixing frequency models. Dynamic mixing frequencies are predicted using the new model without solving additional transport equations, and good agreement with experimental data is observed.

Modelling MIZ dynamics in a global model

Science.gov (United States)

Rynders, Stefanie; Aksenov, Yevgeny; Feltham, Daniel; Nurser, George; Naveira Garabato, Alberto

2016-04-01

Exposure of large, previously ice-covered areas of the Arctic Ocean to the wind and surface ocean waves results in the Arctic pack ice cover becoming more fragmented and mobile, with large regions of ice cover evolving into the Marginal Ice Zone (MIZ). The need for better climate predictions, along with growing economic activity in the Polar Oceans, necessitates climate and forecasting models that can simulate fragmented sea ice with a greater fidelity. Current models are not fully fit for the purpose, since they neither model surface ocean waves in the MIZ, nor account for the effect of floe fragmentation on drag, nor include sea ice rheology that represents both the now thinner pack ice and MIZ ice dynamics. All these processes affect the momentum transfer to the ocean. We present initial results from a global ocean model NEMO (Nucleus for European Modelling of the Ocean) coupled to the Los Alamos sea ice model CICE. The model setup implements a novel rheological formulation for sea ice dynamics, accounting for ice floe collisions, thus offering a seamless framework for pack ice and MIZ simulations. The effect of surface waves on ice motion is included through wave pressure and the turbulent kinetic energy of ice floes. In the multidecadal model integrations we examine MIZ and basin scale sea ice and oceanic responses to the changes in ice dynamics. We analyse model sensitivities and attribute them to key sea ice and ocean dynamical mechanisms. The results suggest that the effect of the new ice rheology is confined to the MIZ. However with the current increase in summer MIZ area, which is projected to continue and may become the dominant type of sea ice in the Arctic, we argue that the effects of the combined sea ice rheology will be noticeable in large areas of the Arctic Ocean, affecting sea ice and ocean. With this study we assert that to make more accurate sea ice predictions in the changing Arctic, models need to include MIZ dynamics and physics.

Graphical Rasch models

DEFF Research Database (Denmark)

Kreiner, Svend; Christensen, Karl Bang

Rasch models; Partial Credit models; Rating Scale models; Item bias; Differential item functioning; Local independence; Graphical models......Rasch models; Partial Credit models; Rating Scale models; Item bias; Differential item functioning; Local independence; Graphical models...

Transforming Graphical System Models to Graphical Attack Models

DEFF Research Database (Denmark)

Ivanova, Marieta Georgieva; Probst, Christian W.; Hansen, Rene Rydhof

2016-01-01

Manually identifying possible attacks on an organisation is a complex undertaking; many different factors must be considered, and the resulting attack scenarios can be complex and hard to maintain as the organisation changes. System models provide a systematic representation of organisations...... approach to transforming graphical system models to graphical attack models in the form of attack trees. Based on an asset in the model, our transformations result in an attack tree that represents attacks by all possible actors in the model, after which the actor in question has obtained the asset....

Integration of Simulink Models with Component-based Software Models

DEFF Research Database (Denmark)

Marian, Nicolae

2008-01-01

Model based development aims to facilitate the development of embedded control systems by emphasizing the separation of the design level from the implementation level. Model based design involves the use of multiple models that represent different views of a system, having different semantics...... of abstract system descriptions. Usually, in mechatronics systems, design proceeds by iterating model construction, model analysis, and model transformation. Constructing a MATLAB/Simulink model, a plant and controller behavior is simulated using graphical blocks to represent mathematical and logical...... constraints. COMDES (Component-based Design of Software for Distributed Embedded Systems) is such a component-based system framework developed by the software engineering group of Mads Clausen Institute for Product Innovation (MCI), University of Southern Denmark. Once specified, the software model has...

Pavement Aging Model by Response Surface Modeling

Directory of Open Access Journals (Sweden)

Manzano-Ramírez A.

2011-10-01

Full Text Available In this work, surface course aging was modeled by Response Surface Methodology (RSM. The Marshall specimens were placed in a conventional oven for time and temperature conditions established on the basis of the environment factors of the region where the surface course is constructed by AC-20 from the Ing. Antonio M. Amor refinery. Volatilized material (VM, load resistance increment (ΔL and flow resistance increment (ΔF models were developed by the RSM. Cylindrical specimens with real aging were extracted from the surface course pilot to evaluate the error of the models. The VM model was adequate, in contrast (ΔL and (ΔF models were almost adequate with an error of 20 %, that was associated with the other environmental factors, which were not considered at the beginning of the research.

Variable selection and model choice in geoadditive regression models.

Science.gov (United States)

Kneib, Thomas; Hothorn, Torsten; Tutz, Gerhard

2009-06-01

Model choice and variable selection are issues of major concern in practical regression analyses, arising in many biometric applications such as habitat suitability analyses, where the aim is to identify the influence of potentially many environmental conditions on certain species. We describe regression models for breeding bird communities that facilitate both model choice and variable selection, by a boosting algorithm that works within a class of geoadditive regression models comprising spatial effects, nonparametric effects of continuous covariates, interaction surfaces, and varying coefficients. The major modeling components are penalized splines and their bivariate tensor product extensions. All smooth model terms are represented as the sum of a parametric component and a smooth component with one degree of freedom to obtain a fair comparison between the model terms. A generic representation of the geoadditive model allows us to devise a general boosting algorithm that automatically performs model choice and variable selection.

Model coupler for coupling of atmospheric, oceanic, and terrestrial models

International Nuclear Information System (INIS)

Nagai, Haruyasu; Kobayashi, Takuya; Tsuduki, Katsunori; Kim, Keyong-Ok

2007-02-01

A numerical simulation system SPEEDI-MP, which is applicable for various environmental studies, consists of dynamical models and material transport models for the atmospheric, terrestrial, and oceanic environments, meteorological and geographical databases for model inputs, and system utilities for file management, visualization, analysis, etc., using graphical user interfaces (GUIs). As a numerical simulation tool, a model coupling program (model coupler) has been developed. It controls parallel calculations of several models and data exchanges among them to realize the dynamical coupling of the models. It is applicable for any models with three-dimensional structured grid system, which is used by most environmental and hydrodynamic models. A coupled model system for water circulation has been constructed with atmosphere, ocean, wave, hydrology, and land-surface models using the model coupler. Performance tests of the coupled model system for water circulation were also carried out for the flood event at Saudi Arabia in January 2005 and the storm surge case by the hurricane KATRINA in August 2005. (author)

ICRF modelling

International Nuclear Information System (INIS)

Phillips, C.K.

1985-12-01

This lecture provides a survey of the methods used to model fast magnetosonic wave coupling, propagation, and absorption in tokamaks. The validity and limitations of three distinct types of modelling codes, which will be contrasted, include discrete models which utilize ray tracing techniques, approximate continuous field models based on a parabolic approximation of the wave equation, and full field models derived using finite difference techniques. Inclusion of mode conversion effects in these models and modification of the minority distribution function will also be discussed. The lecture will conclude with a presentation of time-dependent global transport simulations of ICRF-heated tokamak discharges obtained in conjunction with the ICRF modelling codes. 52 refs., 15 figs

Event Modeling

DEFF Research Database (Denmark)

Bækgaard, Lars

2001-01-01

The purpose of this chapter is to discuss conceptual event modeling within a context of information modeling. Traditionally, information modeling has been concerned with the modeling of a universe of discourse in terms of information structures. However, most interesting universes of discourse...... are dynamic and we present a modeling approach that can be used to model such dynamics.We characterize events as both information objects and change agents (Bækgaard 1997). When viewed as information objects events are phenomena that can be observed and described. For example, borrow events in a library can...

Degeneracy of time series models: The best model is not always the correct model

International Nuclear Information System (INIS)

Judd, Kevin; Nakamura, Tomomichi

2006-01-01

There are a number of good techniques for finding, in some sense, the best model of a deterministic system given a time series of observations. We examine a problem called model degeneracy, which has the consequence that even when a perfect model of a system exists, one does not find it using the best techniques currently available. The problem is illustrated using global polynomial models and the theory of Groebner bases

On the shell model connection of the cluster model

International Nuclear Information System (INIS)

Cseh, J.; Levai, G.; Kato, K.

2000-01-01

Complete text of publication follows. The interrelation of basic nuclear structure models is a longstanding problem. The connection between the spherical shell model and the quadrupole collective model has been studied extensively, and symmetry considerations proved to be especially useful in this respect. A collective band was interpreted in the shell model language long ago as a set of states (of the valence nucleons) with a specific SU(3) symmetry. Furthermore, the energies of these rotational states are obtained to a good approximation as eigenvalues of an SU(3) dynamically symmetric shell model Hamiltonian. On the other hand the relation of the shell model and cluster model is less well explored. The connection of the harmonic oscillator (i.e. SU(3)) bases of the two approaches is known, but it was established only for the unrealistic harmonic oscillator interactions. Here we investigate the question: Can an SU(3) dynamically symmetric interaction provide a similar connection between the spherical shell model and the cluster model, like the one between the shell and collective models? In other words: whether or not the energy of the states of the cluster bands, defined by a specific SU(3) symmetries, can be obtained from a shell model Hamiltonian (with SU(3) dynamical symmetry). We carried out calculations within the framework of the semimicroscopic algebraic cluster model, in which not only the cluster model space is obtained from the full shell model space by an SU(3) symmetry-dictated truncation, but SU(3) dynamically symmetric interactions are also applied. Actually, Hamiltonians of this kind proved to be successful in describing the gross features of cluster states in a wide energy range. The novel feature of the present work is that we apply exclusively shell model interactions. The energies obtained from such a Hamiltonian for several bands of the ( 12 C, 14 C, 16 O, 20 Ne, 40 Ca) + α systems turn out to be in good agreement with the experimental

Approximating chiral quark models with linear σ-models

International Nuclear Information System (INIS)

Broniowski, Wojciech; Golli, Bojan

2003-01-01

We study the approximation of chiral quark models with simpler models, obtained via gradient expansion. The resulting Lagrangian of the type of the linear σ-model contains, at the lowest level of the gradient-expanded meson action, an additional term of the form ((1)/(2))A(σ∂ μ σ+π∂ μ π) 2 . We investigate the dynamical consequences of this term and its relevance to the phenomenology of the soliton models of the nucleon. It is found that the inclusion of the new term allows for a more efficient approximation of the underlying quark theory, especially in those cases where dynamics allows for a large deviation of the chiral fields from the chiral circle, such as in quark models with non-local regulators. This is of practical importance, since the σ-models with valence quarks only are technically much easier to treat and simpler to solve than the quark models with the full-fledged Dirac sea

Multivariate statistical modelling based on generalized linear models

CERN Document Server

Fahrmeir, Ludwig

1994-01-01

This book is concerned with the use of generalized linear models for univariate and multivariate regression analysis. Its emphasis is to provide a detailed introductory survey of the subject based on the analysis of real data drawn from a variety of subjects including the biological sciences, economics, and the social sciences. Where possible, technical details and proofs are deferred to an appendix in order to provide an accessible account for non-experts. Topics covered include: models for multi-categorical responses, model checking, time series and longitudinal data, random effects models, and state-space models. Throughout, the authors have taken great pains to discuss the underlying theoretical ideas in ways that relate well to the data at hand. As a result, numerous researchers whose work relies on the use of these models will find this an invaluable account to have on their desks. "The basic aim of the authors is to bring together and review a large part of recent advances in statistical modelling of m...

Modeling arson - An exercise in qualitative model building

Science.gov (United States)

Heineke, J. M.

1975-01-01

A detailed example is given of the role of von Neumann and Morgenstern's 1944 'expected utility theorem' (in the theory of games and economic behavior) in qualitative model building. Specifically, an arsonist's decision as to the amount of time to allocate to arson and related activities is modeled, and the responsiveness of this time allocation to changes in various policy parameters is examined. Both the activity modeled and the method of presentation are intended to provide an introduction to the scope and power of the expected utility theorem in modeling situations of 'choice under uncertainty'. The robustness of such a model is shown to vary inversely with the number of preference restrictions used in the analysis. The fewer the restrictions, the wider is the class of agents to which the model is applicable, and accordingly more confidence is put in the derived results. A methodological discussion on modeling human behavior is included.

Air Quality Dispersion Modeling - Alternative Models

Science.gov (United States)

Models, not listed in Appendix W, that can be used in regulatory applications with case-by-case justification to the Reviewing Authority as noted in Section 3.2, Use of Alternative Models, in Appendix W.

On the shell-model-connection of the cluster model

International Nuclear Information System (INIS)

Cseh, J.

2000-01-01

Complete text of publication follows. The interrelation of basic nuclear structure models is a longstanding problem. The connection between the spherical shell model and the quadrupole collective model has been studied extensively, and symmetry considerations proved to be especially useful in this respect. A collective band was interpreted in the shell model language long ago [1] as a set of states (of the valence nucleons) with a specific SU(3) symmetry. Furthermore, the energies of these rotational states are obtained to a good approximation as eigenvalues of an SU(3) dynamically symmetric shell model Hamiltonian. On the other hand the relation of the shell model and cluster model is less well explored. The connection of the harmonic oscillator (i.e. SU(3)) bases of the two approaches is known [2] but it was established only for the unrealistic harmonic oscillator interactions. Here we investigate the question: Can an SU(3) dynamically symmetric interaction provide a similar connection between the spherical shell model and the cluster model, like the one between the shell and collective models? In other words: whether or not the energy of the states of the cluster bands, defined by a specific SU(3) symmetries, can be obtained from a shell model Hamiltonian (with SU(3) dynamical symmetry). We carried out calculations within the framework of the semimicroscopic algebraic cluster model [3,4] in order to find an answer to this question, which seems to be affirmative. In particular, the energies obtained from such a Hamiltonian for several bands of the ( 12 C, 14 C, 16 O, 20 Ne, 40 Ca) + α systems turn out to be in good agreement with the experimental values. The present results show that the simple and transparent SU(3) connection between the spherical shell model and the cluster model is valid not only for the harmonic oscillator interactions, but for much more general (SU(3) dynamically symmetric) Hamiltonians as well, which result in realistic energy spectra. Via

Wind tunnel modeling of roadways: Comparison with mathematical models

International Nuclear Information System (INIS)

Heidorn, K.; Davies, A.E.; Murphy, M.C.

1991-01-01

The assessment of air quality impacts from roadways is a major concern to urban planners. In order to assess future road and building configurations, a number of techniques have been developed including mathematical models, which simulate traffic emissions and atmospheric dispersion through a series of mathematical relationships and physical models. The latter models simulate emissions and dispersion through scaling of these processes in a wind tunnel. Two roadway mathematical models, HIWAY-2 and CALINE-4, were applied to a proposed development in a large urban area. Physical modeling procedures developed by Rowan Williams Davies and Irwin Inc. (RWDI) in the form of line source simulators were also applied, and the resulting carbon monoxide concentrations were compared. The results indicated a factor of two agreement between the mathematical and physical models. The physical model, however, reacted to change in building massing and configuration. The mathematical models did not, since no provision for such changes was included in the mathematical models. In general, the RWDI model resulted in higher concentrations than either HIWAY-2 or CALINE-4. Where there was underprediction, it was often due to shielding of the receptor by surrounding buildings. Comparison of these three models with the CALTRANS Tracer Dispersion Experiment showed good results although concentrations were consistently underpredicted

Analysis of deregulation models; Denryoku shijo jiyuka model no bunseki

Energy Technology Data Exchange (ETDEWEB)

Yajima, M. [Central Research Institute of Electric Power Industry, Tokyo (Japan)

1996-04-01

Trends toward power market deregulation were investigated in Japan and 16 other countries, and various deregulation models were examined and evaluated for their merits and demerits. There are four basic models, that is, franchise bidding model, competitive bidding in power generation model, wholesale wheeling or retail wheeling model, and mandatory pool or voluntary pool model. Power market deregulation has been a global tendency since the second half of the 1970s, with various models adopted by different countries. Out of the above-said models, it is the retail wheeling model and pool models (open access models) that allow the final customer to select power suppliers, and the number of countries adopting these models is increasing. The said models are characterized in that the disintegration of the vertical transmission-distribution integration (separation of distribution service and retail supply service) and the liberation of the retail market are simultaneously accomplished. The pool models, in particular, are enjoying favor because conditions for fair competition have already been prepared and because it is believed high in efficiency. In Japan and France, where importance is attached to atomic power generation, the competitive bidding model is adopted as a means to harmonize the introduction of competition into the source development and power generation sectors. 7 refs., 4 tabs.

Modelling Overview

DEFF Research Database (Denmark)

Larsen, Lars Bjørn; Vesterager, Johan

This report provides an overview of the existing models of global manufacturing, describes the required modelling views and associated methods and identifies tools, which can provide support for this modelling activity.The model adopted for global manufacturing is that of an extended enterprise s...

Statistical Model Checking of Rich Models and Properties

DEFF Research Database (Denmark)

Poulsen, Danny Bøgsted

in undecidability issues for the traditional model checking approaches. Statistical model checking has proven itself a valuable supplement to model checking and this thesis is concerned with extending this software validation technique to stochastic hybrid systems. The thesis consists of two parts: the first part...... motivates why existing model checking technology should be supplemented by new techniques. It also contains a brief introduction to probability theory and concepts covered by the six papers making up the second part. The first two papers are concerned with developing online monitoring techniques...... systems. The fifth paper shows how stochastic hybrid automata are useful for modelling biological systems and the final paper is concerned with showing how statistical model checking is efficiently distributed. In parallel with developing the theory contained in the papers, a substantial part of this work...

Geochemistry Model Validation Report: Material Degradation and Release Model

Energy Technology Data Exchange (ETDEWEB)

H. Stockman

2001-09-28

The purpose of this Analysis and Modeling Report (AMR) is to validate the Material Degradation and Release (MDR) model that predicts degradation and release of radionuclides from a degrading waste package (WP) in the potential monitored geologic repository at Yucca Mountain. This AMR is prepared according to ''Technical Work Plan for: Waste Package Design Description for LA'' (Ref. 17). The intended use of the MDR model is to estimate the long-term geochemical behavior of waste packages (WPs) containing U. S . Department of Energy (DOE) Spent Nuclear Fuel (SNF) codisposed with High Level Waste (HLW) glass, commercial SNF, and Immobilized Plutonium Ceramic (Pu-ceramic) codisposed with HLW glass. The model is intended to predict (1) the extent to which criticality control material, such as gadolinium (Gd), will remain in the WP after corrosion of the initial WP, (2) the extent to which fissile Pu and uranium (U) will be carried out of the degraded WP by infiltrating water, and (3) the chemical composition and amounts of minerals and other solids left in the WP. The results of the model are intended for use in criticality calculations. The scope of the model validation report is to (1) describe the MDR model, and (2) compare the modeling results with experimental studies. A test case based on a degrading Pu-ceramic WP is provided to help explain the model. This model does not directly feed the assessment of system performance. The output from this model is used by several other models, such as the configuration generator, criticality, and criticality consequence models, prior to the evaluation of system performance. This document has been prepared according to AP-3.10Q, ''Analyses and Models'' (Ref. 2), and prepared in accordance with the technical work plan (Ref. 17).

Geochemistry Model Validation Report: Material Degradation and Release Model

International Nuclear Information System (INIS)

Stockman, H.

2001-01-01

The purpose of this Analysis and Modeling Report (AMR) is to validate the Material Degradation and Release (MDR) model that predicts degradation and release of radionuclides from a degrading waste package (WP) in the potential monitored geologic repository at Yucca Mountain. This AMR is prepared according to ''Technical Work Plan for: Waste Package Design Description for LA'' (Ref. 17). The intended use of the MDR model is to estimate the long-term geochemical behavior of waste packages (WPs) containing U. S . Department of Energy (DOE) Spent Nuclear Fuel (SNF) codisposed with High Level Waste (HLW) glass, commercial SNF, and Immobilized Plutonium Ceramic (Pu-ceramic) codisposed with HLW glass. The model is intended to predict (1) the extent to which criticality control material, such as gadolinium (Gd), will remain in the WP after corrosion of the initial WP, (2) the extent to which fissile Pu and uranium (U) will be carried out of the degraded WP by infiltrating water, and (3) the chemical composition and amounts of minerals and other solids left in the WP. The results of the model are intended for use in criticality calculations. The scope of the model validation report is to (1) describe the MDR model, and (2) compare the modeling results with experimental studies. A test case based on a degrading Pu-ceramic WP is provided to help explain the model. This model does not directly feed the assessment of system performance. The output from this model is used by several other models, such as the configuration generator, criticality, and criticality consequence models, prior to the evaluation of system performance. This document has been prepared according to AP-3.10Q, ''Analyses and Models'' (Ref. 2), and prepared in accordance with the technical work plan (Ref. 17)

Assessing physical models used in nuclear aerosol transport models

International Nuclear Information System (INIS)

McDonald, B.H.

1987-01-01

Computer codes used to predict the behaviour of aerosols in water-cooled reactor containment buildings after severe accidents contain a variety of physical models. Special models are in place for describing agglomeration processes where small aerosol particles combine to form larger ones. Other models are used to calculate the rates at which aerosol particles are deposited on building structures. Condensation of steam on aerosol particles is currently a very active area in aerosol modelling. In this paper, the physical models incorporated in the current available international codes for all of these processes are reviewed and documented. There is considerable variation in models used in different codes, and some uncertainties exist as to which models are superior. 28 refs

Particle Tracking Model (PTM) with Coastal Modeling System (CMS)

Science.gov (United States)

2015-11-04

Coastal Inlets Research Program Particle Tracking Model (PTM) with Coastal Modeling System ( CMS ) The Particle Tracking Model (PTM) is a Lagrangian...currents and waves. The Coastal Inlets Research Program (CIRP) supports the PTM with the Coastal Modeling System ( CMS ), which provides coupled wave...and current forcing for PTM simulations. CMS -PTM is implemented in the Surface-water Modeling System, a GUI environment for input development

A BRDF statistical model applying to space target materials modeling

Science.gov (United States)

Liu, Chenghao; Li, Zhi; Xu, Can; Tian, Qichen

2017-10-01

In order to solve the problem of poor effect in modeling the large density BRDF measured data with five-parameter semi-empirical model, a refined statistical model of BRDF which is suitable for multi-class space target material modeling were proposed. The refined model improved the Torrance-Sparrow model while having the modeling advantages of five-parameter model. Compared with the existing empirical model, the model contains six simple parameters, which can approximate the roughness distribution of the material surface, can approximate the intensity of the Fresnel reflectance phenomenon and the attenuation of the reflected light's brightness with the azimuth angle changes. The model is able to achieve parameter inversion quickly with no extra loss of accuracy. The genetic algorithm was used to invert the parameters of 11 different samples in the space target commonly used materials, and the fitting errors of all materials were below 6%, which were much lower than those of five-parameter model. The effect of the refined model is verified by comparing the fitting results of the three samples at different incident zenith angles in 0° azimuth angle. Finally, the three-dimensional modeling visualizations of these samples in the upper hemisphere space was given, in which the strength of the optical scattering of different materials could be clearly shown. It proved the good describing ability of the refined model at the material characterization as well.

EIA model documentation: Petroleum market model of the national energy modeling system

Energy Technology Data Exchange (ETDEWEB)

NONE

1995-12-28

The purpose of this report is to define the objectives of the Petroleum Market Model (PMM), describe its basic approach, and provide detail on how it works. This report is intended as a reference document for model analysts, users, and the public. Documentation of the model is in accordance with EIA`s legal obligation to provide adequate documentation in support of its models. The PMM models petroleum refining activities, the marketing of petroleum products to consumption regions, the production of natural gas liquids in gas processing plants, and domestic methanol production. The PMM projects petroleum product prices and sources of supply for meeting petroleum product demand. The sources of supply include crude oil, both domestic and imported; other inputs including alcohols and ethers; natural gas plant liquids production; petroleum product imports; and refinery processing gain. In addition, the PMM estimates domestic refinery capacity expansion and fuel consumption. Product prices are estimated at the Census division level and much of the refining activity information is at the Petroleum Administration for Defense (PAD) District level.

EIA model documentation: Petroleum market model of the national energy modeling system

International Nuclear Information System (INIS)

1995-01-01

The purpose of this report is to define the objectives of the Petroleum Market Model (PMM), describe its basic approach, and provide detail on how it works. This report is intended as a reference document for model analysts, users, and the public. Documentation of the model is in accordance with EIA's legal obligation to provide adequate documentation in support of its models. The PMM models petroleum refining activities, the marketing of petroleum products to consumption regions, the production of natural gas liquids in gas processing plants, and domestic methanol production. The PMM projects petroleum product prices and sources of supply for meeting petroleum product demand. The sources of supply include crude oil, both domestic and imported; other inputs including alcohols and ethers; natural gas plant liquids production; petroleum product imports; and refinery processing gain. In addition, the PMM estimates domestic refinery capacity expansion and fuel consumption. Product prices are estimated at the Census division level and much of the refining activity information is at the Petroleum Administration for Defense (PAD) District level

Towards policy relevant environmental modeling: contextual validity and pragmatic models

Science.gov (United States)

Miles, Scott B.

2000-01-01

"What makes for a good model?" In various forms, this question is a question that, undoubtedly, many people, businesses, and institutions ponder with regards to their particular domain of modeling. One particular domain that is wrestling with this question is the multidisciplinary field of environmental modeling. Examples of environmental models range from models of contaminated ground water flow to the economic impact of natural disasters, such as earthquakes. One of the distinguishing claims of the field is the relevancy of environmental modeling to policy and environment-related decision-making in general. A pervasive view by both scientists and decision-makers is that a "good" model is one that is an accurate predictor. Thus, determining whether a model is "accurate" or "correct" is done by comparing model output to empirical observations. The expected outcome of this process, usually referred to as "validation" or "ground truthing," is a stamp on the model in question of "valid" or "not valid" that serves to indicate whether or not the model will be reliable before it is put into service in a decision-making context. In this paper, I begin by elaborating on the prevailing view of model validation and why this view must change. Drawing from concepts coming out of the studies of science and technology, I go on to propose a contextual view of validity that can overcome the problems associated with "ground truthing" models as an indicator of model goodness. The problem of how we talk about and determine model validity has much to do about how we perceive the utility of environmental models. In the remainder of the paper, I argue that we should adopt ideas of pragmatism in judging what makes for a good model and, in turn, developing good models. From such a perspective of model goodness, good environmental models should facilitate communication, convey—not bury or "eliminate"—uncertainties, and, thus, afford the active building of consensus decisions, instead

Stochastic biomathematical models with applications to neuronal modeling

CERN Document Server

Batzel, Jerry; Ditlevsen, Susanne

2013-01-01

Stochastic biomathematical models are becoming increasingly important as new light is shed on the role of noise in living systems. In certain biological systems, stochastic effects may even enhance a signal, thus providing a biological motivation for the noise observed in living systems. Recent advances in stochastic analysis and increasing computing power facilitate the analysis of more biophysically realistic models, and this book provides researchers in computational neuroscience and stochastic systems with an overview of recent developments. Key concepts are developed in chapters written by experts in their respective fields. Topics include: one-dimensional homogeneous diffusions and their boundary behavior, large deviation theory and its application in stochastic neurobiological models, a review of mathematical methods for stochastic neuronal integrate-and-fire models, stochastic partial differential equation models in neurobiology, and stochastic modeling of spreading cortical depression.

Modelling of an homogeneous equilibrium mixture model

International Nuclear Information System (INIS)

Bernard-Champmartin, A.; Poujade, O.; Mathiaud, J.; Mathiaud, J.; Ghidaglia, J.M.

2014-01-01

We present here a model for two phase flows which is simpler than the 6-equations models (with two densities, two velocities, two temperatures) but more accurate than the standard mixture models with 4 equations (with two densities, one velocity and one temperature). We are interested in the case when the two-phases have been interacting long enough for the drag force to be small but still not negligible. The so-called Homogeneous Equilibrium Mixture Model (HEM) that we present is dealing with both mixture and relative quantities, allowing in particular to follow both a mixture velocity and a relative velocity. This relative velocity is not tracked by a conservation law but by a closure law (drift relation), whose expression is related to the drag force terms of the two-phase flow. After the derivation of the model, a stability analysis and numerical experiments are presented. (authors)

Temperature-based modeling of reference evapotranspiration using several artificial intelligence models: application of different modeling scenarios

Science.gov (United States)

Sanikhani, Hadi; Kisi, Ozgur; Maroufpoor, Eisa; Yaseen, Zaher Mundher

2018-02-01

The establishment of an accurate computational model for predicting reference evapotranspiration (ET0) process is highly essential for several agricultural and hydrological applications, especially for the rural water resource systems, water use allocations, utilization and demand assessments, and the management of irrigation systems. In this research, six artificial intelligence (AI) models were investigated for modeling ET0 using a small number of climatic data generated from the minimum and maximum temperatures of the air and extraterrestrial radiation. The investigated models were multilayer perceptron (MLP), generalized regression neural networks (GRNN), radial basis neural networks (RBNN), integrated adaptive neuro-fuzzy inference systems with grid partitioning and subtractive clustering (ANFIS-GP and ANFIS-SC), and gene expression programming (GEP). The implemented monthly time scale data set was collected at the Antalya and Isparta stations which are located in the Mediterranean Region of Turkey. The Hargreaves-Samani (HS) equation and its calibrated version (CHS) were used to perform a verification analysis of the established AI models. The accuracy of validation was focused on multiple quantitative metrics, including root mean squared error (RMSE), mean absolute error (MAE), correlation coefficient (R 2), coefficient of residual mass (CRM), and Nash-Sutcliffe efficiency coefficient (NS). The results of the conducted models were highly practical and reliable for the investigated case studies. At the Antalya station, the performance of the GEP and GRNN models was better than the other investigated models, while the performance of the RBNN and ANFIS-SC models was best compared to the other models at the Isparta station. Except for the MLP model, all the other investigated models presented a better performance accuracy compared to the HS and CHS empirical models when applied in a cross-station scenario. A cross-station scenario examination implies the

Deformed baryons: constituent quark model vs. bag model

International Nuclear Information System (INIS)

Iwamura, Y.; Nogami, Y.

1985-01-01

Recently Bhaduri et al. developed a nonrelativistic constituent quark model for deformed baryons. In that model the quarks move in a deformable mean field, and the deformation parameters are determined by minimizing the quark energy subject to the constraint of volume conservation. This constraint is an ad hoc assumption. It is shown that, starting with a bag model, a model similar to that of Bhaduri et al. can be constructed. The deformation parameters are determined by the pressure balance on the bag surface. There is, however, a distinct difference between the two models with respect to the state dependence of the ''volume''. Implications of this difference are discussed

Business Model Innovation: How Iconic Business Models Emerge

OpenAIRE

Mikhalkina, T.; Cabantous, L.

2015-01-01

Despite ample research on the topic of business model innovation, little is known about the cognitive processes whereby some innovative business models gain the status of iconic representations of particular types of firms. This study addresses the question: How do iconic business models emerge? In other words: How do innovative business models become prototypical exemplars for new categories of firms? We focus on the case of Airbnb, and analyze how six mainstream business media publications ...

ECONOMIC MODELING STOCKS CONTROL SYSTEM: SIMULATION MODEL

OpenAIRE

Климак, М.С.; Войтко, С.В.

2016-01-01

Considered theoretical and applied aspects of the development of simulation models to predictthe optimal development and production systems that create tangible products andservices. It isproved that theprocessof inventory control needs of economicandmathematical modeling in viewof thecomplexity of theoretical studies. A simulation model of stocks control that allows make managementdecisions with production logistics

Bayesian Model Averaging of Artificial Intelligence Models for Hydraulic Conductivity Estimation

Science.gov (United States)

Nadiri, A.; Chitsazan, N.; Tsai, F. T.; Asghari Moghaddam, A.

2012-12-01

This research presents a Bayesian artificial intelligence model averaging (BAIMA) method that incorporates multiple artificial intelligence (AI) models to estimate hydraulic conductivity and evaluate estimation uncertainties. Uncertainty in the AI model outputs stems from error in model input as well as non-uniqueness in selecting different AI methods. Using one single AI model tends to bias the estimation and underestimate uncertainty. BAIMA employs Bayesian model averaging (BMA) technique to address the issue of using one single AI model for estimation. BAIMA estimates hydraulic conductivity by averaging the outputs of AI models according to their model weights. In this study, the model weights were determined using the Bayesian information criterion (BIC) that follows the parsimony principle. BAIMA calculates the within-model variances to account for uncertainty propagation from input data to AI model output. Between-model variances are evaluated to account for uncertainty due to model non-uniqueness. We employed Takagi-Sugeno fuzzy logic (TS-FL), artificial neural network (ANN) and neurofuzzy (NF) to estimate hydraulic conductivity for the Tasuj plain aquifer, Iran. BAIMA combined three AI models and produced better fitting than individual models. While NF was expected to be the best AI model owing to its utilization of both TS-FL and ANN models, the NF model is nearly discarded by the parsimony principle. The TS-FL model and the ANN model showed equal importance although their hydraulic conductivity estimates were quite different. This resulted in significant between-model variances that are normally ignored by using one AI model.

Climate simulations for 1880-2003 with GISS modelE

International Nuclear Information System (INIS)

Hansen, J.; Lacis, A.; Miller, R.; Schmidt, G.A.; Russell, G.; Canuto, V.; Del Genio, A.; Hall, T.; Hansen, J.; Sato, M.; Kharecha, P.; Nazarenko, L.; Aleinov, I.; Bauer, S.; Chandler, M.; Faluvegi, G.; Jonas, J.; Ruedy, R.; Lo, K.; Cheng, Y.; Lacis, A.; Schmidt, G.A.; Del Genio, A.; Miller, R.; Cairns, B.; Hall, T.; Baum, E.; Cohen, A.; Fleming, E.; Jackman, C.; Friend, A.; Kelley, M.

2007-01-01

We carry out climate simulations for 1880-2003 with GISS modelE driven by ten measured or estimated climate forcing. An ensemble of climate model runs is carried out for each forcing acting individually and for all forcing mechanisms acting together. We compare side-by-side simulated climate change for each forcing, all forcing, observations, unforced variability among model ensemble members, and, if available, observed variability. Discrepancies between observations and simulations with all forcing are due to model deficiencies, inaccurate or incomplete forcing, and imperfect observations. Although there are notable discrepancies between model and observations, the fidelity is sufficient to encourage use of the model for simulations of future climate change. By using a fixed well-documented model and accurately defining the 1880-2003 forcing, we aim to provide a benchmark against which the effect of improvements in the model, climate forcing, and observations can be tested. Principal model deficiencies include unrealistic weak tropical El Nino-like variability and a poor distribution of sea ice, with too much sea ice in the Northern Hemisphere and too little in the Southern Hemisphere. Greatest uncertainties in the forcing are the temporal and spatial variations of anthropogenic aerosols and their indirect effects on clouds. (authors)

ModelMage: a tool for automatic model generation, selection and management.

Science.gov (United States)

Flöttmann, Max; Schaber, Jörg; Hoops, Stephan; Klipp, Edda; Mendes, Pedro

2008-01-01

Mathematical modeling of biological systems usually involves implementing, simulating, and discriminating several candidate models that represent alternative hypotheses. Generating and managing these candidate models is a tedious and difficult task and can easily lead to errors. ModelMage is a tool that facilitates management of candidate models. It is designed for the easy and rapid development, generation, simulation, and discrimination of candidate models. The main idea of the program is to automatically create a defined set of model alternatives from a single master model. The user provides only one SBML-model and a set of directives from which the candidate models are created by leaving out species, modifiers or reactions. After generating models the software can automatically fit all these models to the data and provides a ranking for model selection, in case data is available. In contrast to other model generation programs, ModelMage aims at generating only a limited set of models that the user can precisely define. ModelMage uses COPASI as a simulation and optimization engine. Thus, all simulation and optimization features of COPASI are readily incorporated. ModelMage can be downloaded from http://sysbio.molgen.mpg.de/modelmage and is distributed as free software.

Modelling binary data

CERN Document Server

Collett, David

2002-01-01

INTRODUCTION Some Examples The Scope of this Book Use of Statistical Software STATISTICAL INFERENCE FOR BINARY DATA The Binomial Distribution Inference about the Success Probability Comparison of Two Proportions Comparison of Two or More Proportions MODELS FOR BINARY AND BINOMIAL DATA Statistical Modelling Linear Models Methods of Estimation Fitting Linear Models to Binomial Data Models for Binomial Response Data The Linear Logistic Model Fitting the Linear Logistic Model to Binomial Data Goodness of Fit of a Linear Logistic Model Comparing Linear Logistic Models Linear Trend in Proportions Comparing Stimulus-Response Relationships Non-Convergence and Overfitting Some other Goodness of Fit Statistics Strategy for Model Selection Predicting a Binary Response Probability BIOASSAY AND SOME OTHER APPLICATIONS The Tolerance Distribution Estimating an Effective Dose Relative Potency Natural Response Non-Linear Logistic Regression Models Applications of the Complementary Log-Log Model MODEL CHECKING Definition of Re...

Model theory

CERN Document Server

Chang, CC

2012-01-01

Model theory deals with a branch of mathematical logic showing connections between a formal language and its interpretations or models. This is the first and most successful textbook in logical model theory. Extensively updated and corrected in 1990 to accommodate developments in model theoretic methods - including classification theory and nonstandard analysis - the third edition added entirely new sections, exercises, and references. Each chapter introduces an individual method and discusses specific applications. Basic methods of constructing models include constants, elementary chains, Sko

Multistate Model Builder (MSMB): a flexible editor for compact biochemical models.

Science.gov (United States)

Palmisano, Alida; Hoops, Stefan; Watson, Layne T; Jones, Thomas C; Tyson, John J; Shaffer, Clifford A

2014-04-04

Building models of molecular regulatory networks is challenging not just because of the intrinsic difficulty of describing complex biological processes. Writing a model is a creative effort that calls for more flexibility and interactive support than offered by many of today's biochemical model editors. Our model editor MSMB - Multistate Model Builder - supports multistate models created using different modeling styles. MSMB provides two separate advances on existing network model editors. (1) A simple but powerful syntax is used to describe multistate species. This reduces the number of reactions needed to represent certain molecular systems, thereby reducing the complexity of model creation. (2) Extensive feedback is given during all stages of the model creation process on the existing state of the model. Users may activate error notifications of varying stringency on the fly, and use these messages as a guide toward a consistent, syntactically correct model. MSMB default values and behavior during model manipulation (e.g., when renaming or deleting an element) can be adapted to suit the modeler, thus supporting creativity rather than interfering with it. MSMB's internal model representation allows saving a model with errors and inconsistencies (e.g., an undefined function argument; a syntactically malformed reaction). A consistent model can be exported to SBML or COPASI formats. We show the effectiveness of MSMB's multistate syntax through models of the cell cycle and mRNA transcription. Using multistate reactions reduces the number of reactions need to encode many biochemical network models. This reduces the cognitive load for a given model, thereby making it easier for modelers to build more complex models. The many interactive editing support features provided by MSMB make it easier for modelers to create syntactically valid models, thus speeding model creation. Complete information and the installation package can be found at http

Application of Improved Radiation Modeling to General Circulation Models

Energy Technology Data Exchange (ETDEWEB)

Michael J Iacono

2011-04-07

This research has accomplished its primary objectives of developing accurate and efficient radiation codes, validating them with measurements and higher resolution models, and providing these advancements to the global modeling community to enhance the treatment of cloud and radiative processes in weather and climate prediction models. A critical component of this research has been the development of the longwave and shortwave broadband radiative transfer code for general circulation model (GCM) applications, RRTMG, which is based on the single-column reference code, RRTM, also developed at AER. RRTMG is a rigorously tested radiation model that retains a considerable level of accuracy relative to higher resolution models and measurements despite the performance enhancements that have made it possible to apply this radiation code successfully to global dynamical models. This model includes the radiative effects of all significant atmospheric gases, and it treats the absorption and scattering from liquid and ice clouds and aerosols. RRTMG also includes a statistical technique for representing small-scale cloud variability, such as cloud fraction and the vertical overlap of clouds, which has been shown to improve cloud radiative forcing in global models. This development approach has provided a direct link from observations to the enhanced radiative transfer provided by RRTMG for application to GCMs. Recent comparison of existing climate model radiation codes with high resolution models has documented the improved radiative forcing capability provided by RRTMG, especially at the surface, relative to other GCM radiation models. Due to its high accuracy, its connection to observations, and its computational efficiency, RRTMG has been implemented operationally in many national and international dynamical models to provide validated radiative transfer for improving weather forecasts and enhancing the prediction of global climate change.

Modeling Guru: Knowledge Base for NASA Modelers

Science.gov (United States)

Seablom, M. S.; Wojcik, G. S.; van Aartsen, B. H.

2009-05-01

Modeling Guru is an on-line knowledge-sharing resource for anyone involved with or interested in NASA's scientific models or High End Computing (HEC) systems. Developed and maintained by the NASA's Software Integration and Visualization Office (SIVO) and the NASA Center for Computational Sciences (NCCS), Modeling Guru's combined forums and knowledge base for research and collaboration is becoming a repository for the accumulated expertise of NASA's scientific modeling and HEC communities. All NASA modelers and associates are encouraged to participate and provide knowledge about the models and systems so that other users may benefit from their experience. Modeling Guru is divided into a hierarchy of communities, each with its own set forums and knowledge base documents. Current modeling communities include those for space science, land and atmospheric dynamics, atmospheric chemistry, and oceanography. In addition, there are communities focused on NCCS systems, HEC tools and libraries, and programming and scripting languages. Anyone may view most of the content on Modeling Guru (available at http://modelingguru.nasa.gov/), but you must log in to post messages and subscribe to community postings. The site offers a full range of "Web 2.0" features, including discussion forums, "wiki" document generation, document uploading, RSS feeds, search tools, blogs, email notification, and "breadcrumb" links. A discussion (a.k.a. forum "thread") is used to post comments, solicit feedback, or ask questions. If marked as a question, SIVO will monitor the thread, and normally respond within a day. Discussions can include embedded images, tables, and formatting through the use of the Rich Text Editor. Also, the user can add "Tags" to their thread to facilitate later searches. The "knowledge base" is comprised of documents that are used to capture and share expertise with others. The default "wiki" document lets users edit within the browser so others can easily collaborate on the

Modeling soil water content for vegetation modeling improvement

Science.gov (United States)

Cianfrani, Carmen; Buri, Aline; Zingg, Barbara; Vittoz, Pascal; Verrecchia, Eric; Guisan, Antoine

2016-04-01

Soil water content (SWC) is known to be important for plants as it affects the physiological processes regulating plant growth. Therefore, SWC controls plant distribution over the Earth surface, ranging from deserts and grassland to rain forests. Unfortunately, only a few data on SWC are available as its measurement is very time consuming and costly and needs specific laboratory tools. The scarcity of SWC measurements in geographic space makes it difficult to model and spatially project SWC over larger areas. In particular, it prevents its inclusion in plant species distribution model (SDMs) as predictor. The aims of this study were, first, to test a new methodology allowing problems of the scarcity of SWC measurements to be overpassed and second, to model and spatially project SWC in order to improve plant SDMs with the inclusion of SWC parameter. The study was developed in four steps. First, SWC was modeled by measuring it at 10 different pressures (expressed in pF and ranging from pF=0 to pF=4.2). The different pF represent different degrees of soil water availability for plants. An ensemble of bivariate models was built to overpass the problem of having only a few SWC measurements (n = 24) but several predictors to include in the model. Soil texture (clay, silt, sand), organic matter (OM), topographic variables (elevation, aspect, convexity), climatic variables (precipitation) and hydrological variables (river distance, NDWI) were used as predictors. Weighted ensemble models were built using only bivariate models with adjusted-R2 > 0.5 for each SWC at different pF. The second step consisted in running plant SDMs including modeled SWC jointly with the conventional topo-climatic variable used for plant SDMs. Third, SDMs were only run using the conventional topo-climatic variables. Finally, comparing the models obtained in the second and third steps allowed assessing the additional predictive power of SWC in plant SDMs. SWC ensemble models remained very good, with

Computer-aided modeling framework – a generic modeling template

DEFF Research Database (Denmark)

Fedorova, Marina; Sin, Gürkan; Gani, Rafiqul

and test models systematically, efficiently and reliably. In this way, development of products and processes can be made faster, cheaper and more efficient. In this contribution, as part of the framework, a generic modeling template for the systematic derivation of problem specific models is presented....... The application of the modeling template is highlighted with a case study related to the modeling of a catalytic membrane reactor coupling dehydrogenation of ethylbenzene with hydrogenation of nitrobenzene...

A simplified model exploration research of new anisotropic diffuse radiation model

International Nuclear Information System (INIS)

Yao, Wanxiang; Li, Zhengrong; Wang, Xiao; Zhao, Qun; Zhang, Zhigang; Lin, Lin

2016-01-01

Graphical abstract: The specific process of measured diffuse radiation data. - Highlights: • Simplified diffuse radiation model is extremely important for solar radiation simulation and energy simulation. • A new simplified anisotropic diffuse radiation model (NSADR model) is proposed. • The accuracy of existing models and NSADR model is compared based on the measured values. • The accuracy of the NSADR model is higher than that of the existing models, and suitable for calculating diffuse radiation. - Abstract: More accurate new anisotropic diffuse radiation model (NADR model) has been proposed, but the parameters and calculation process of NADR model used in the process are complex. So it is difficult to widely used in the simulation software and engineering calculation. Based on analysis of the diffuse radiation model and measured diffuse radiation data, this paper put forward three hypotheses: (1) diffuse radiation from sky horizontal region is concentrated in a very thin layer which is close to the line source; (2) diffuse radiation from circumsolar region is concentrated in the point of the sun; (3) diffuse radiation from orthogonal region is concentrated in the point located at 90 degree angles with the Sun. Based on these hypotheses, NADR model is simplified to a new simplified anisotropic diffuse radiation model (NSADR model). Then the accuracy of NADR model and its simplified model (NSADR model) are compared with existing models based on the measured values, and the result shows that Perez model and its simplified model are relatively accurate among existing models. However, the accuracy of these two models is lower than the NADR model and NSADR model due to neglect the influence of the orthogonal diffuse radiation. The accuracy of the NSADR model is higher than that of the existing models, meanwhile, another advantage is that the NSADR model simplifies the process of solution parameters and calculation. Therefore it is more suitable for

Biosphere Model Report

Energy Technology Data Exchange (ETDEWEB)

D. W. Wu

2003-07-16

The purpose of this report is to document the biosphere model, the Environmental Radiation Model for Yucca Mountain, Nevada (ERMYN), which describes radionuclide transport processes in the biosphere and associated human exposure that may arise as the result of radionuclide release from the geologic repository at Yucca Mountain. The biosphere model is one of the process models that support the Yucca Mountain Project (YMP) Total System Performance Assessment (TSPA) for the license application (LA), the TSPA-LA. The ERMYN model provides the capability of performing human radiation dose assessments. This report documents the biosphere model, which includes: (1) Describing the reference biosphere, human receptor, exposure scenarios, and primary radionuclides for each exposure scenario (Section 6.1); (2) Developing a biosphere conceptual model using site-specific features, events, and processes (FEPs), the reference biosphere, the human receptor, and assumptions (Section 6.2 and Section 6.3); (3) Building a mathematical model using the biosphere conceptual model and published biosphere models (Sections 6.4 and 6.5); (4) Summarizing input parameters for the mathematical model, including the uncertainty associated with input values (Section 6.6); (5) Identifying improvements in the ERMYN model compared with the model used in previous biosphere modeling (Section 6.7); (6) Constructing an ERMYN implementation tool (model) based on the biosphere mathematical model using GoldSim stochastic simulation software (Sections 6.8 and 6.9); (7) Verifying the ERMYN model by comparing output from the software with hand calculations to ensure that the GoldSim implementation is correct (Section 6.10); and (8) Validating the ERMYN model by corroborating it with published biosphere models; comparing conceptual models, mathematical models, and numerical results (Section 7).

Biosphere Model Report

Energy Technology Data Exchange (ETDEWEB)

M. A. Wasiolek

2003-10-27

The purpose of this report is to document the biosphere model, the Environmental Radiation Model for Yucca Mountain, Nevada (ERMYN), which describes radionuclide transport processes in the biosphere and associated human exposure that may arise as the result of radionuclide release from the geologic repository at Yucca Mountain. The biosphere model is one of the process models that support the Yucca Mountain Project (YMP) Total System Performance Assessment (TSPA) for the license application (LA), the TSPA-LA. The ERMYN model provides the capability of performing human radiation dose assessments. This report documents the biosphere model, which includes: (1) Describing the reference biosphere, human receptor, exposure scenarios, and primary radionuclides for each exposure scenario (Section 6.1); (2) Developing a biosphere conceptual model using site-specific features, events, and processes (FEPs), the reference biosphere, the human receptor, and assumptions (Section 6.2 and Section 6.3); (3) Building a mathematical model using the biosphere conceptual model and published biosphere models (Sections 6.4 and 6.5); (4) Summarizing input parameters for the mathematical model, including the uncertainty associated with input values (Section 6.6); (5) Identifying improvements in the ERMYN model compared with the model used in previous biosphere modeling (Section 6.7); (6) Constructing an ERMYN implementation tool (model) based on the biosphere mathematical model using GoldSim stochastic simulation software (Sections 6.8 and 6.9); (7) Verifying the ERMYN model by comparing output from the software with hand calculations to ensure that the GoldSim implementation is correct (Section 6.10); and (8) Validating the ERMYN model by corroborating it with published biosphere models; comparing conceptual models, mathematical models, and numerical results (Section 7).

Biosphere Model Report

International Nuclear Information System (INIS)

D. W. Wu

2003-01-01

The purpose of this report is to document the biosphere model, the Environmental Radiation Model for Yucca Mountain, Nevada (ERMYN), which describes radionuclide transport processes in the biosphere and associated human exposure that may arise as the result of radionuclide release from the geologic repository at Yucca Mountain. The biosphere model is one of the process models that support the Yucca Mountain Project (YMP) Total System Performance Assessment (TSPA) for the license application (LA), the TSPA-LA. The ERMYN model provides the capability of performing human radiation dose assessments. This report documents the biosphere model, which includes: (1) Describing the reference biosphere, human receptor, exposure scenarios, and primary radionuclides for each exposure scenario (Section 6.1); (2) Developing a biosphere conceptual model using site-specific features, events, and processes (FEPs), the reference biosphere, the human receptor, and assumptions (Section 6.2 and Section 6.3); (3) Building a mathematical model using the biosphere conceptual model and published biosphere models (Sections 6.4 and 6.5); (4) Summarizing input parameters for the mathematical model, including the uncertainty associated with input values (Section 6.6); (5) Identifying improvements in the ERMYN model compared with the model used in previous biosphere modeling (Section 6.7); (6) Constructing an ERMYN implementation tool (model) based on the biosphere mathematical model using GoldSim stochastic simulation software (Sections 6.8 and 6.9); (7) Verifying the ERMYN model by comparing output from the software with hand calculations to ensure that the GoldSim implementation is correct (Section 6.10); and (8) Validating the ERMYN model by corroborating it with published biosphere models; comparing conceptual models, mathematical models, and numerical results (Section 7)

A Primer for Model Selection: The Decisive Role of Model Complexity

Science.gov (United States)

Höge, Marvin; Wöhling, Thomas; Nowak, Wolfgang

2018-03-01

Selecting a "best" model among several competing candidate models poses an often encountered problem in water resources modeling (and other disciplines which employ models). For a modeler, the best model fulfills a certain purpose best (e.g., flood prediction), which is typically assessed by comparing model simulations to data (e.g., stream flow). Model selection methods find the "best" trade-off between good fit with data and model complexity. In this context, the interpretations of model complexity implied by different model selection methods are crucial, because they represent different underlying goals of modeling. Over the last decades, numerous model selection criteria have been proposed, but modelers who primarily want to apply a model selection criterion often face a lack of guidance for choosing the right criterion that matches their goal. We propose a classification scheme for model selection criteria that helps to find the right criterion for a specific goal, i.e., which employs the correct complexity interpretation. We identify four model selection classes which seek to achieve high predictive density, low predictive error, high model probability, or shortest compression of data. These goals can be achieved by following either nonconsistent or consistent model selection and by either incorporating a Bayesian parameter prior or not. We allocate commonly used criteria to these four classes, analyze how they represent model complexity and what this means for the model selection task. Finally, we provide guidance on choosing the right type of criteria for specific model selection tasks. (A quick guide through all key points is given at the end of the introduction.)

Model-free and model-based reward prediction errors in EEG.

Science.gov (United States)

Sambrook, Thomas D; Hardwick, Ben; Wills, Andy J; Goslin, Jeremy

2018-05-24

Learning theorists posit two reinforcement learning systems: model-free and model-based. Model-based learning incorporates knowledge about structure and contingencies in the world to assign candidate actions with an expected value. Model-free learning is ignorant of the world's structure; instead, actions hold a value based on prior reinforcement, with this value updated by expectancy violation in the form of a reward prediction error. Because they use such different learning mechanisms, it has been previously assumed that model-based and model-free learning are computationally dissociated in the brain. However, recent fMRI evidence suggests that the brain may compute reward prediction errors to both model-free and model-based estimates of value, signalling the possibility that these systems interact. Because of its poor temporal resolution, fMRI risks confounding reward prediction errors with other feedback-related neural activity. In the present study, EEG was used to show the presence of both model-based and model-free reward prediction errors and their place in a temporal sequence of events including state prediction errors and action value updates. This demonstration of model-based prediction errors questions a long-held assumption that model-free and model-based learning are dissociated in the brain. Copyright © 2018 Elsevier Inc. All rights reserved.

Sequence modelling and an extensible data model for genomic database

Energy Technology Data Exchange (ETDEWEB)

Li, Peter Wei-Der [California Univ., San Francisco, CA (United States); Univ. of California, Berkeley, CA (United States)

1992-01-01

The Human Genome Project (HGP) plans to sequence the human genome by the beginning of the next century. It will generate DNA sequences of more than 10 billion bases and complex marker sequences (maps) of more than 100 million markers. All of these information will be stored in database management systems (DBMSs). However, existing data models do not have the abstraction mechanism for modelling sequences and existing DBMS`s do not have operations for complex sequences. This work addresses the problem of sequence modelling in the context of the HGP and the more general problem of an extensible object data model that can incorporate the sequence model as well as existing and future data constructs and operators. First, we proposed a general sequence model that is application and implementation independent. This model is used to capture the sequence information found in the HGP at the conceptual level. In addition, abstract and biological sequence operators are defined for manipulating the modelled sequences. Second, we combined many features of semantic and object oriented data models into an extensible framework, which we called the ``Extensible Object Model``, to address the need of a modelling framework for incorporating the sequence data model with other types of data constructs and operators. This framework is based on the conceptual separation between constructors and constraints. We then used this modelling framework to integrate the constructs for the conceptual sequence model. The Extensible Object Model is also defined with a graphical representation, which is useful as a tool for database designers. Finally, we defined a query language to support this model and implement the query processor to demonstrate the feasibility of the extensible framework and the usefulness of the conceptual sequence model.

Sequence modelling and an extensible data model for genomic database

Energy Technology Data Exchange (ETDEWEB)

Li, Peter Wei-Der (California Univ., San Francisco, CA (United States) Lawrence Berkeley Lab., CA (United States))

1992-01-01

The Human Genome Project (HGP) plans to sequence the human genome by the beginning of the next century. It will generate DNA sequences of more than 10 billion bases and complex marker sequences (maps) of more than 100 million markers. All of these information will be stored in database management systems (DBMSs). However, existing data models do not have the abstraction mechanism for modelling sequences and existing DBMS's do not have operations for complex sequences. This work addresses the problem of sequence modelling in the context of the HGP and the more general problem of an extensible object data model that can incorporate the sequence model as well as existing and future data constructs and operators. First, we proposed a general sequence model that is application and implementation independent. This model is used to capture the sequence information found in the HGP at the conceptual level. In addition, abstract and biological sequence operators are defined for manipulating the modelled sequences. Second, we combined many features of semantic and object oriented data models into an extensible framework, which we called the Extensible Object Model'', to address the need of a modelling framework for incorporating the sequence data model with other types of data constructs and operators. This framework is based on the conceptual separation between constructors and constraints. We then used this modelling framework to integrate the constructs for the conceptual sequence model. The Extensible Object Model is also defined with a graphical representation, which is useful as a tool for database designers. Finally, we defined a query language to support this model and implement the query processor to demonstrate the feasibility of the extensible framework and the usefulness of the conceptual sequence model.

Modelling of JET diagnostics using Bayesian Graphical Models

Energy Technology Data Exchange (ETDEWEB)

Svensson, J. [IPP Greifswald, Greifswald (Germany); Ford, O. [Imperial College, London (United Kingdom); McDonald, D.; Hole, M.; Nessi, G. von; Meakins, A.; Brix, M.; Thomsen, H.; Werner, A.; Sirinelli, A.

2011-07-01

The mapping between physics parameters (such as densities, currents, flows, temperatures etc) defining the plasma 'state' under a given model and the raw observations of each plasma diagnostic will 1) depend on the particular physics model used, 2) is inherently probabilistic, from uncertainties on both observations and instrumental aspects of the mapping, such as calibrations, instrument functions etc. A flexible and principled way of modelling such interconnected probabilistic systems is through so called Bayesian graphical models. Being an amalgam between graph theory and probability theory, Bayesian graphical models can simulate the complex interconnections between physics models and diagnostic observations from multiple heterogeneous diagnostic systems, making it relatively easy to optimally combine the observations from multiple diagnostics for joint inference on parameters of the underlying physics model, which in itself can be represented as part of the graph. At JET about 10 diagnostic systems have to date been modelled in this way, and has lead to a number of new results, including: the reconstruction of the flux surface topology and q-profiles without any specific equilibrium assumption, using information from a number of different diagnostic systems; profile inversions taking into account the uncertainties in the flux surface positions and a substantial increase in accuracy of JET electron density and temperature profiles, including improved pedestal resolution, through the joint analysis of three diagnostic systems. It is believed that the Bayesian graph approach could potentially be utilised for very large sets of diagnostics, providing a generic data analysis framework for nuclear fusion experiments, that would be able to optimally utilize the information from multiple diagnostics simultaneously, and where the explicit graph representation of the connections to underlying physics models could be used for sophisticated model testing. This

Culturicon model: A new model for cultural-based emoticon

Science.gov (United States)

Zukhi, Mohd Zhafri Bin Mohd; Hussain, Azham

2017-10-01

Emoticons are popular among distributed collective interaction user in expressing their emotion, gestures and actions. Emoticons have been proved to be able to avoid misunderstanding of the message, attention saving and improved the communications among different native speakers. However, beside the benefits that emoticons can provide, the study regarding emoticons in cultural perspective is still lacking. As emoticons are crucial in global communication, culture should be one of the extensively research aspect in distributed collective interaction. Therefore, this study attempt to explore and develop model for cultural-based emoticon. Three cultural models that have been used in Human-Computer Interaction were studied which are the Hall Culture Model, Trompenaars and Hampden Culture Model and Hofstede Culture Model. The dimensions from these three models will be used in developing the proposed cultural-based emoticon model.

Business Models and Business Model Innovation

DEFF Research Database (Denmark)

Foss, Nicolai J.; Saebi, Tina

2018-01-01

While research on business models and business model innovation continue to exhibit growth, the field is still, even after more than two decades of research, characterized by a striking lack of cumulative theorizing and an opportunistic borrowing of more or less related ideas from neighbouring...

The bumper bundle book of modelling NLP modelling made simple

CERN Document Server

Burgess, Fran

2014-01-01

A Neurolinguistic Programming textbook which focusses on the core activity of NLP - modelling. It covers the thinking behind NLP modelling, presents an extensive range of modelling methodologies and skills, offers applications of modelling, and provides specific details for model and technique construction.

Anatomically accurate, finite model eye for optical modeling.

Science.gov (United States)

Liou, H L; Brennan, N A

1997-08-01

There is a need for a schematic eye that models vision accurately under various conditions such as refractive surgical procedures, contact lens and spectacle wear, and near vision. Here we propose a new model eye close to anatomical, biometric, and optical realities. This is a finite model with four aspheric refracting surfaces and a gradient-index lens. It has an equivalent power of 60.35 D and an axial length of 23.95 mm. The new model eye provides spherical aberration values within the limits of empirical results and predicts chromatic aberration for wavelengths between 380 and 750 nm. It provides a model for calculating optical transfer functions and predicting optical performance of the eye.

Ecological models and pesticide risk assessment: current modeling practice.

Science.gov (United States)

Schmolke, Amelie; Thorbek, Pernille; Chapman, Peter; Grimm, Volker

2010-04-01

Ecological risk assessments of pesticides usually focus on risk at the level of individuals, and are carried out by comparing exposure and toxicological endpoints. However, in most cases the protection goal is populations rather than individuals. On the population level, effects of pesticides depend not only on exposure and toxicity, but also on factors such as life history characteristics, population structure, timing of application, presence of refuges in time and space, and landscape structure. Ecological models can integrate such factors and have the potential to become important tools for the prediction of population-level effects of exposure to pesticides, thus allowing extrapolations, for example, from laboratory to field. Indeed, a broad range of ecological models have been applied to chemical risk assessment in the scientific literature, but so far such models have only rarely been used to support regulatory risk assessments of pesticides. To better understand the reasons for this situation, the current modeling practice in this field was assessed in the present study. The scientific literature was searched for relevant models and assessed according to nine characteristics: model type, model complexity, toxicity measure, exposure pattern, other factors, taxonomic group, risk assessment endpoint, parameterization, and model evaluation. The present study found that, although most models were of a high scientific standard, many of them would need modification before they are suitable for regulatory risk assessments. The main shortcomings of currently available models in the context of regulatory pesticide risk assessments were identified. When ecological models are applied to regulatory risk assessments, we recommend reviewing these models according to the nine characteristics evaluated here. (c) 2010 SETAC.

Model performance analysis and model validation in logistic regression

Directory of Open Access Journals (Sweden)

Rosa Arboretti Giancristofaro

2007-10-01

Full Text Available In this paper a new model validation procedure for a logistic regression model is presented. At first, we illustrate a brief review of different techniques of model validation. Next, we define a number of properties required for a model to be considered "good", and a number of quantitative performance measures. Lastly, we describe a methodology for the assessment of the performance of a given model by using an example taken from a management study.

Pharmacokinetic modeling of gentamicin in treatment of infective endocarditis: Model development and validation of existing models

Science.gov (United States)

van der Wijk, Lars; Proost, Johannes H.; Sinha, Bhanu; Touw, Daan J.

2017-01-01

Gentamicin shows large variations in half-life and volume of distribution (Vd) within and between individuals. Thus, monitoring and accurately predicting serum levels are required to optimize effectiveness and minimize toxicity. Currently, two population pharmacokinetic models are applied for predicting gentamicin doses in adults. For endocarditis patients the optimal model is unknown. We aimed at: 1) creating an optimal model for endocarditis patients; and 2) assessing whether the endocarditis and existing models can accurately predict serum levels. We performed a retrospective observational two-cohort study: one cohort to parameterize the endocarditis model by iterative two-stage Bayesian analysis, and a second cohort to validate and compare all three models. The Akaike Information Criterion and the weighted sum of squares of the residuals divided by the degrees of freedom were used to select the endocarditis model. Median Prediction Error (MDPE) and Median Absolute Prediction Error (MDAPE) were used to test all models with the validation dataset. We built the endocarditis model based on data from the modeling cohort (65 patients) with a fixed 0.277 L/h/70kg metabolic clearance, 0.698 (±0.358) renal clearance as fraction of creatinine clearance, and Vd 0.312 (±0.076) L/kg corrected lean body mass. External validation with data from 14 validation cohort patients showed a similar predictive power of the endocarditis model (MDPE -1.77%, MDAPE 4.68%) as compared to the intensive-care (MDPE -1.33%, MDAPE 4.37%) and standard (MDPE -0.90%, MDAPE 4.82%) models. All models acceptably predicted pharmacokinetic parameters for gentamicin in endocarditis patients. However, these patients appear to have an increased Vd, similar to intensive care patients. Vd mainly determines the height of peak serum levels, which in turn correlate with bactericidal activity. In order to maintain simplicity, we advise to use the existing intensive-care model in clinical practice to avoid

Pharmacokinetic modeling of gentamicin in treatment of infective endocarditis: Model development and validation of existing models.

Directory of Open Access Journals (Sweden)

Anna Gomes

Full Text Available Gentamicin shows large variations in half-life and volume of distribution (Vd within and between individuals. Thus, monitoring and accurately predicting serum levels are required to optimize effectiveness and minimize toxicity. Currently, two population pharmacokinetic models are applied for predicting gentamicin doses in adults. For endocarditis patients the optimal model is unknown. We aimed at: 1 creating an optimal model for endocarditis patients; and 2 assessing whether the endocarditis and existing models can accurately predict serum levels. We performed a retrospective observational two-cohort study: one cohort to parameterize the endocarditis model by iterative two-stage Bayesian analysis, and a second cohort to validate and compare all three models. The Akaike Information Criterion and the weighted sum of squares of the residuals divided by the degrees of freedom were used to select the endocarditis model. Median Prediction Error (MDPE and Median Absolute Prediction Error (MDAPE were used to test all models with the validation dataset. We built the endocarditis model based on data from the modeling cohort (65 patients with a fixed 0.277 L/h/70kg metabolic clearance, 0.698 (±0.358 renal clearance as fraction of creatinine clearance, and Vd 0.312 (±0.076 L/kg corrected lean body mass. External validation with data from 14 validation cohort patients showed a similar predictive power of the endocarditis model (MDPE -1.77%, MDAPE 4.68% as compared to the intensive-care (MDPE -1.33%, MDAPE 4.37% and standard (MDPE -0.90%, MDAPE 4.82% models. All models acceptably predicted pharmacokinetic parameters for gentamicin in endocarditis patients. However, these patients appear to have an increased Vd, similar to intensive care patients. Vd mainly determines the height of peak serum levels, which in turn correlate with bactericidal activity. In order to maintain simplicity, we advise to use the existing intensive-care model in clinical practice to

Viscoelastic Model for Lung Parenchyma for Multi-Scale Modeling of Respiratory System, Phase II: Dodecahedral Micro-Model

Energy Technology Data Exchange (ETDEWEB)

Freed, Alan D.; Einstein, Daniel R.; Carson, James P.; Jacob, Rick E.

2012-03-01

In the first year of this contractual effort a hypo-elastic constitutive model was developed and shown to have great potential in modeling the elastic response of parenchyma. This model resides at the macroscopic level of the continuum. In this, the second year of our support, an isotropic dodecahedron is employed as an alveolar model. This is a microscopic model for parenchyma. A hopeful outcome is that the linkage between these two scales of modeling will be a source of insight and inspiration that will aid us in the final year's activity: creating a viscoelastic model for parenchyma.

Ventilation Model

International Nuclear Information System (INIS)

Yang, H.

1999-01-01

The purpose of this analysis and model report (AMR) for the Ventilation Model is to analyze the effects of pre-closure continuous ventilation in the Engineered Barrier System (EBS) emplacement drifts and provide heat removal data to support EBS design. It will also provide input data (initial conditions, and time varying boundary conditions) for the EBS post-closure performance assessment and the EBS Water Distribution and Removal Process Model. The objective of the analysis is to develop, describe, and apply calculation methods and models that can be used to predict thermal conditions within emplacement drifts under forced ventilation during the pre-closure period. The scope of this analysis includes: (1) Provide a general description of effects and heat transfer process of emplacement drift ventilation. (2) Develop a modeling approach to simulate the impacts of pre-closure ventilation on the thermal conditions in emplacement drifts. (3) Identify and document inputs to be used for modeling emplacement ventilation. (4) Perform calculations of temperatures and heat removal in the emplacement drift. (5) Address general considerations of the effect of water/moisture removal by ventilation on the repository thermal conditions. The numerical modeling in this document will be limited to heat-only modeling and calculations. Only a preliminary assessment of the heat/moisture ventilation effects and modeling method will be performed in this revision. Modeling of moisture effects on heat removal and emplacement drift temperature may be performed in the future

Methodology for geometric modelling. Presentation and administration of site descriptive models; Metodik foer geometrisk modellering. Presentation och administration av platsbeskrivande modeller

Energy Technology Data Exchange (ETDEWEB)

Munier, Raymond [Swedish Nuclear Fuel and Waste Management Co., Stockholm (Sweden); Hermanson, Jan [Golder Associates (Sweden)

2001-03-01

This report presents a methodology to construct, visualise and present geoscientific descriptive models based on data from the site investigations, which the SKB currently performs, to build an underground nuclear waste disposal facility in Sweden. It is designed for interaction with SICADA (SKB:s site characterisation database) and RVS (SKB:s Rock Visualisation System). However, the concepts of the methodology are general and can be used with other tools capable of handling 3D geometries and parameters. The descriptive model is intended to be an instrument where site investigation data from all disciplines are put together to form a comprehensive visual interpretation of the studied rock mass. The methodology has four main components: 1. Construction of a geometrical model of the interpreted main structures at the site. 2. Description of the geoscientific characteristics of the structures. 3. Description and geometrical implementation of the geometric uncertainties in the interpreted model structures. 4. Quality system for the handling of the geometrical model, its associated database and some aspects of the technical auditing. The geometrical model forms a basis for understanding the main elements and structures of the investigated site. Once the interpreted geometries are in place in the model, the system allows for adding descriptive and quantitative data to each modelled object through a system of intuitive menus. The associated database allows each geometrical object a complete quantitative description of all geoscientific disciplines, variabilities, uncertainties in interpretation and full version history. The complete geometrical model and its associated database of object descriptions are to be recorded in a central quality system. Official, new and old versions of the model are administered centrally in order to have complete quality assurance of each step in the interpretation process. The descriptive model is a cornerstone in the understanding of the

Coupled model of INM-IO global ocean model, CICE sea ice model and SCM OIAS framework

Science.gov (United States)

Bayburin, Ruslan; Rashit, Ibrayev; Konstantin, Ushakov; Vladimir, Kalmykov; Gleb, Dyakonov

2015-04-01

Status of coupled Arctic model of ocean and sea ice is presented. Model consists of INM IO global ocean component of high resolution, Los Alamos National Laboratory CICE sea ice model and a framework SCM OIAS for the ocean-ice-atmosphere-land coupled modeling on massively-parallel architectures. Model is currently under development at the Institute of Numerical Mathematics (INM), Hydrometeorological Center (HMC) and P.P. Shirshov Institute of Oceanology (IO). Model is aimed at modeling of intra-annual variability of hydrodynamics in Arctic and. The computational characteristics of the world ocean-sea ice coupled model governed by SCM OIAS are presented. The model is parallelized using MPI technologies and currently can use efficiently up to 5000 cores. Details of programming implementation, computational configuration and physical phenomena parametrization are analyzed in terms of intercoupling complex. Results of five year computational experiment of sea ice, snow and ocean state evolution in Arctic region on tripole grid with horizontal resolution of 3-5 kilometers, closed by atmospheric forcing field from repeating "normal" annual course taken from CORE1 experiment data base are presented and analyzed in terms of the state of vorticity and warm Atlantic water expansion.

Models of breast cancer: quo vadis, animal modeling?

International Nuclear Information System (INIS)

Wagner, Kay-Uwe

2004-01-01

Rodent models for breast cancer have for many decades provided unparalleled insights into cellular and molecular aspects of neoplastic transformation and tumorigenesis. Despite recent improvements in the fidelity of genetically engineered mice, rodent models are still being criticized by many colleagues for not being 'authentic' enough to the human disease. Motives for this criticism are manifold and range from a very general antipathy against the rodent model system to well-founded arguments that highlight physiological variations between species. Newly proposed differences in genetic pathways that cause cancer in humans and mice invigorated the ongoing discussion about the legitimacy of the murine system to model the human disease. The present commentary intends to stimulate a debate on this subject by providing the background about new developments in animal modeling, by disputing suggested limitations of genetically engineered mice, and by discussing improvements but also ambiguous expectations on the authenticity of xenograft models to faithfully mimic the human disease

Mathematical modelling

CERN Document Server

2016-01-01

This book provides a thorough introduction to the challenge of applying mathematics in real-world scenarios. Modelling tasks rarely involve well-defined categories, and they often require multidisciplinary input from mathematics, physics, computer sciences, or engineering. In keeping with this spirit of modelling, the book includes a wealth of cross-references between the chapters and frequently points to the real-world context. The book combines classical approaches to modelling with novel areas such as soft computing methods, inverse problems, and model uncertainty. Attention is also paid to the interaction between models, data and the use of mathematical software. The reader will find a broad selection of theoretical tools for practicing industrial mathematics, including the analysis of continuum models, probabilistic and discrete phenomena, and asymptotic and sensitivity analysis.

Empirical investigation on modeling solar radiation series with ARMA–GARCH models

International Nuclear Information System (INIS)

Sun, Huaiwei; Yan, Dong; Zhao, Na; Zhou, Jianzhong

2015-01-01

Highlights: • Apply 6 ARMA–GARCH(-M) models to model and forecast solar radiation. • The ARMA–GARCH(-M) models produce more accurate radiation forecasting than conventional methods. • Show that ARMA–GARCH-M models are more effective for forecasting solar radiation mean and volatility. • The ARMA–EGARCH-M is robust and the ARMA–sGARCH-M is very competitive. - Abstract: Simulation of radiation is one of the most important issues in solar utilization. Time series models are useful tools in the estimation and forecasting of solar radiation series and their changes. In this paper, the effectiveness of autoregressive moving average (ARMA) models with various generalized autoregressive conditional heteroskedasticity (GARCH) processes, namely ARMA–GARCH models are evaluated for their effectiveness in radiation series. Six different GARCH approaches, which contain three different ARMA–GARCH models and corresponded GARCH in mean (ARMA–GARCH-M) models, are applied in radiation data sets from two representative climate stations in China. Multiple evaluation metrics of modeling sufficiency are used for evaluating the performances of models. The results show that the ARMA–GARCH(-M) models are effective in radiation series estimation. Both in fitting and prediction of radiation series, the ARMA–GARCH(-M) models show better modeling sufficiency than traditional models, while ARMA–EGARCH-M models are robustness in two sites and the ARMA–sGARCH-M models appear very competitive. Comparisons of statistical diagnostics and model performance clearly show that the ARMA–GARCH-M models make the mean radiation equations become more sufficient. It is recommended the ARMA–GARCH(-M) models to be the preferred method to use in the modeling of solar radiation series

Hydrogeological conceptual model development and numerical modelling using CONNECTFLOW, Forsmark modelling stage 2.3

Energy Technology Data Exchange (ETDEWEB)

Follin, Sven (SF GeoLogic AB, Taeby (Sweden)); Hartley, Lee; Jackson, Peter; Roberts, David (Serco TAP (United Kingdom)); Marsic, Niko (Kemakta Konsult AB, Stockholm (Sweden))

2008-05-15

Three versions of a site descriptive model (SDM) have been completed for the Forsmark area. Version 0 established the state of knowledge prior to the start of the site investigation programme. Version 1.1 was essentially a training exercise and was completed during 2004. Version 1.2 was a preliminary site description and concluded the initial site investigation work (ISI) in June 2005. Three modelling stages are planned for the complete site investigation work (CSI). These are labelled stage 2.1, 2.2 and 2.3, respectively. An important component of each of these stages is to address and continuously try to resolve discipline-specific uncertainties of importance for repository engineering and safety assessment. Stage 2.1 included an updated geological model for Forsmark and aimed to provide a feedback from the modelling working group to the site investigation team to enable completion of the site investigation work. Stage 2.2 described the conceptual understanding and the numerical modelling of the bedrock hydrogeology in the Forsmark area based on data freeze 2.2. The present report describes the modelling based on data freeze 2.3, which is the final data freeze in Forsmark. In comparison, data freeze 2.3 is considerably smaller than data freeze 2.2. Therefore, stage 2.3 deals primarily with model confirmation and uncertainty analysis, e.g. verification of important hypotheses made in stage 2.2 and the role of parameter uncertainty in the numerical modelling. On the whole, the work reported here constitutes an addendum to the work reported in stage 2.2. Two changes were made to the CONNECTFLOW code in stage 2.3. These serve to: 1) improve the representation of the hydraulic properties of the regolith, and 2) improve the conditioning of transmissivity of the deformation zones against single-hole hydraulic tests. The changes to the modelling of the regolith were made to improve the consistency with models made with the MIKE SHE code, which involved the introduction