WorldWideScience

Sample records for relative molecular motion

  1. Motion and relativity

    CERN Document Server

    Infeld, Leopold

    1960-01-01

    Motion and Relativity focuses on the methodologies, solutions, and approaches involved in the study of motion and relativity, including the general relativity theory, gravitation, and approximation.The publication first offers information on notation and gravitational interaction and the general theory of motion. Discussions focus on the notation of the general relativity theory, field values on the world-lines, general statement of the physical problem, Newton's theory of gravitation, and forms for the equation of motion of the second kind. The text then takes a look at the approximation meth

  2. Physical chemistry: Molecular motion watched

    Science.gov (United States)

    Siwick, Bradley; Collet, Eric

    2013-04-01

    A laser pulse can switch certain crystals from an insulating phase to a highly conducting phase. The ultrafast molecular motions that drive the transition have been directly observed using electron diffraction. See Letter p.343

  3. Molecular motion in restricted geometries

    Indian Academy of Sciences (India)

    Molecular dynamics in restricted geometries is known to exhibit anomalous behaviour. Diffusion, translational or rotational, of molecules is altered significantly on confinement in restricted geometries. Quasielastic neutron scattering (QENS) offers a unique possibility of studying molecular motion in such systems. Both time ...

  4. A Motion Planning Approach to Studying Molecular Motions

    KAUST Repository

    Amato, Nancy M.

    2010-01-01

    While structurally very different, protein and RNA molecules share an important attribute. The motions they undergo are strongly related to the function they perform. For example, many diseases such as Mad Cow disease or Alzheimer\\'s disease are associated with protein misfolding and aggregation. Similarly, RNA folding velocity may regulate the plasmid copy number, and RNA folding kinetics can regulate gene expression at the translational level. Knowledge of the stability, folding, kinetics and detailed mechanics of the folding process may help provide insight into how proteins and RNAs fold. In this paper, we present an overview of our work with a computational method we have adapted from robotic motion planning to study molecular motions. We have validated against experimental data and have demonstrated that our method can capture biological results such as stochastic folding pathways, population kinetics of various conformations, and relative folding rates. Thus, our method provides both a detailed view (e.g., individual pathways) and a global view (e.g., population kinetics, relative folding rates, and reaction coordinates) of energy landscapes of both proteins and RNAs. We have validated these techniques by showing that we observe the same relative folding rates as shown in experiments for structurally similar protein molecules that exhibit different folding behaviors. Our analysis has also been able to predict the same relative gene expression rate for wild-type MS2 phage RNA and three of its mutants.

  5. Parallel Molecular Distributed Detection With Brownian Motion.

    Science.gov (United States)

    Rogers, Uri; Koh, Min-Sung

    2016-12-01

    This paper explores the in vivo distributed detection of an undesired biological agent's (BAs) biomarkers by a group of biological sized nanomachines in an aqueous medium under drift. The term distributed, indicates that the system information relative to the BAs presence is dispersed across the collection of nanomachines, where each nanomachine possesses limited communication, computation, and movement capabilities. Using Brownian motion with drift, a probabilistic detection and optimal data fusion framework, coined molecular distributed detection, will be introduced that combines theory from both molecular communication and distributed detection. Using the optimal data fusion framework as a guide, simulation indicates that a sub-optimal fusion method exists, allowing for a significant reduction in implementation complexity while retaining BA detection accuracy.

  6. A Motion Planning Approach to Studying Molecular Motions

    KAUST Repository

    Amato, Nancy M.; Tapia, Lydia; Thomas, Shawna

    2010-01-01

    While structurally very different, protein and RNA molecules share an important attribute. The motions they undergo are strongly related to the function they perform. For example, many diseases such as Mad Cow disease or Alzheimer's disease

  7. Can molecular cell biology explain chromosome motions?

    Directory of Open Access Journals (Sweden)

    Gagliardi L

    2011-05-01

    Full Text Available Abstract Background Mitotic chromosome motions have recently been correlated with electrostatic forces, but a lingering "molecular cell biology" paradigm persists, proposing binding and release proteins or molecular geometries for force generation. Results Pole-facing kinetochore plates manifest positive charges and interact with negatively charged microtubule ends providing the motive force for poleward chromosome motions by classical electrostatics. This conceptual scheme explains dynamic tracking/coupling of kinetochores to microtubules and the simultaneous depolymerization of kinetochore microtubules as poleward force is generated. Conclusion We question here why cells would prefer complex molecular mechanisms to move chromosomes when direct electrostatic interactions between known bound charge distributions can accomplish the same task much more simply.

  8. Homothetic motions in general relativity

    International Nuclear Information System (INIS)

    McIntosh, C.B.G.

    1976-01-01

    Properties of homothetic or self-similar motions in general relativity are examined with particular reference to vacuum and perfect-fluid space-times. The role of the homothetic bivector with components Hsub((a;b)) formed from the homothetic vector H is discussed in some detail. It is proved that a vacuum space-time only admits a nontrivial homothetic motion if the homothetic vector field is non-null and is not hypersurface orthogonal. As a subcase of a more general result it is shown that a perfect-fluid space-time cannot admit a non-trivial homothetic vector which is orthogonal to the fluid velocity 4-vector. (author)

  9. Visualizing functional motions of membrane transporters with molecular dynamics simulations.

    Science.gov (United States)

    Shaikh, Saher A; Li, Jing; Enkavi, Giray; Wen, Po-Chao; Huang, Zhijian; Tajkhorshid, Emad

    2013-01-29

    Computational modeling and molecular simulation techniques have become an integral part of modern molecular research. Various areas of molecular sciences continue to benefit from, indeed rely on, the unparalleled spatial and temporal resolutions offered by these technologies, to provide a more complete picture of the molecular problems at hand. Because of the continuous development of more efficient algorithms harvesting ever-expanding computational resources, and the emergence of more advanced and novel theories and methodologies, the scope of computational studies has expanded significantly over the past decade, now including much larger molecular systems and far more complex molecular phenomena. Among the various computer modeling techniques, the application of molecular dynamics (MD) simulation and related techniques has particularly drawn attention in biomolecular research, because of the ability of the method to describe the dynamical nature of the molecular systems and thereby to provide a more realistic representation, which is often needed for understanding fundamental molecular properties. The method has proven to be remarkably successful in capturing molecular events and structural transitions highly relevant to the function and/or physicochemical properties of biomolecular systems. Herein, after a brief introduction to the method of MD, we use a number of membrane transport proteins studied in our laboratory as examples to showcase the scope and applicability of the method and its power in characterizing molecular motions of various magnitudes and time scales that are involved in the function of this important class of membrane proteins.

  10. Molecular motion and structure in plastics

    International Nuclear Information System (INIS)

    Doolan, K.R.; Baxter, M.

    2000-01-01

    Full text: When molten thermoplastics solidify, the polymeric chains form a completely amorphous structure or a mixture of crystalline and amorphous regions. Measurement of Nuclear Magnetic Resonance (NMR) relaxation times provides information about the configuration and molecular motion of polymeric chains in solid plastics. We are currently measuring the NMR relaxation times T 1 , T 2 , T 2 and T 1p as a function of temperature using a Bruker High Power pulsed NMR Spectrometer for several different classes of thermoplastics containing varying concentrations of inorganic filler materials. We present data here for T 1 , and T 2 obtained for polyethylenes, polypropylenes, polystyrenes and acrylics in the temperature range 100 K to 450 K. At temperatures below 320 K, all of the polyethylenes and polypropylenes and some of the polystyrenes and acrylics produced NMR signals after a single radio frequency (RF) pulse with rapidly and slowly decaying components corresponding to the rigid and flexible regions within the plastic. From these results we have estimated using Mathematica the amount of crystallinity within the polyethylenes and polypropylenes. For the impact modified polystyrenes and acrylics studied we have estimated the amounts of elastomeric phases present. We find that the initial rapid decay signal produced by polyethylenes and polypropylenes is Gaussian while the long tail is Lorentzian. All of the signal components from the polystyrenes and the acrylics were fitted using Lorentzian functions indicating their structures are highly amorphous. Addition of CaCO 3 filler to polypropylene resins appears to reduce the crystallinity of the material. We also present data for the activation energy of the molecular motion inducing longitudinal relaxation, from T 1 measurements

  11. Annotated Bibliography on Relative Motion

    Science.gov (United States)

    1992-03-01

    displace the sheave, and motive means operating the power ram. Preferably, the power run is subjected to i constant upward pneumatic force to provide...NCIEI- Report N- 1187 (Oct 1971). The theory is de\\ eloped for the swinging rmotion induced in a wire suspended load due to the hori7zontal motion of a

  12. Molecular structure and motion in zero field magnetic resonance

    International Nuclear Information System (INIS)

    Jarvie, T.P.

    1989-10-01

    Zero field magnetic resonance is well suited for the determination of molecular structure and the study of motion in disordered materials. Experiments performed in zero applied magnetic field avoid the anisotropic broadening in high field nuclear magnetic resonance (NMR) experiments. As a result, molecular structure and subtle effects of motion are more readily observed

  13. Redox control of molecular motion in switchable artificial nanoscale devices.

    Science.gov (United States)

    Credi, Alberto; Semeraro, Monica; Silvi, Serena; Venturi, Margherita

    2011-03-15

    The design, synthesis, and operation of molecular-scale systems that exhibit controllable motions of their component parts is a topic of great interest in nanoscience and a fascinating challenge of nanotechnology. The development of this kind of species constitutes the premise to the construction of molecular machines and motors, which in a not-too-distant future could find applications in fields such as materials science, information technology, energy conversion, diagnostics, and medicine. In the past 25 years the development of supramolecular chemistry has enabled the construction of an interesting variety of artificial molecular machines. These devices operate via electronic and molecular rearrangements and, like the macroscopic counterparts, they need energy to work as well as signals to communicate with the operator. Here we outline the design principles at the basis of redox switching of molecular motion in artificial nanodevices. Redox processes, chemically, electrically, or photochemically induced, can indeed supply the energy to bring about molecular motions. Moreover, in the case of electrically and photochemically induced processes, electrochemical and photochemical techniques can be used to read the state of the system, and thus to control and monitor the operation of the device. Some selected examples are also reported to describe the most representative achievements in this research area.

  14. Manipulation of molecular vibrational motions via pure rotational excitations

    DEFF Research Database (Denmark)

    Shu, Chuan-Cun; Henriksen, Niels Engholm

    2015-01-01

    The coupling between different molecular degrees of freedom plays a decisive role in many quantum phenomena, including electron transfer and energy redistribution. Here, we demonstrate a quantum-mechanical time-dependent simulation to explore how a vibrational motion in a molecule can be affected...

  15. Relative Motion Modeling and Autonomous Navigation Accuracy

    Science.gov (United States)

    2016-11-15

    74-79. [39] T. Carter and M. Humi, “Clohessy-Wiltshire Equations Modified to Include Quadratic Drag,” Journal of Guidance, Control and Dynamics...the effect of the absolute and differential effects of the equatorial bulge term, J2, in the linearized equations for the relative motion of...perturbation equations up to third-order used for separating the secular and periodic effects can be written as where , , , and are the Kamiltonians of

  16. It's, Like, Relative Motion at the Mall

    Science.gov (United States)

    Robinett, R. W.

    2003-03-01

    Almost all introductory textbooks, both algebra- and calculus-based, include sections on relative motion and relative velocity, in both one and two dimensions. The most popular examples in discussions of 2-D relative velocity in such texts seem to be the motion of airplanes/blimps flying in the presence of wind or the conceptually identical cases of boats/rafts piloted across rivers/streams, including the effects of currents. These and similar cases are rather removed from the everyday experience of some students, and the use of simple lecture demonstrations to illustrate these concepts can be quite useful. For example, the motion of a simple toy "wind-up" car moving at constant speed across a horizontal tabletop, with a plastic sheet underneath providing the "moving frame of reference," can illustrate many aspects of such problems, including the need to "point" the plane/boat in an appropriate direction, just as illustrated in many textbook figures. On the other hand, it is also useful if students can directly experience concepts for themselves, especially in a kinesthetic manner, but there are seemingly far fewer human-sized lecture demonstrations on this topic. In this paper, we will point out one such example which might well be just a short drive away.

  17. Dynamics of relative motion of test particles in general relativity

    International Nuclear Information System (INIS)

    Bazanski, S.L.

    1977-01-01

    Several variational principles which lead to the first and the second geodesic deviation equations, recently formulated by the author and used for the description of the relative motion of test particles in general relativity are presented. Relations between these principles are investigated and exhibited. The Hamilton-Jacobi equation is also studied for these generalized deviations and the conservation laws appearing here are discussed

  18. Plastic dislocation motion via nonequilibrium molecular and continuum dynamics

    International Nuclear Information System (INIS)

    Hoover, W.G.; Ladd, A.J.C.; Hoover, N.E.

    1980-01-01

    The classical two-dimensional close-packed triangular lattice, with nearest-neighbor spring forces, is a convenient standard material for the investigation of dislocation motion and plastic flow. Two kinds of calculations, based on this standard material, are described here: (1) Molecular Dynamics simulations, incorporating adiabatic strains described with the help of Doll's Tensor, and (2) Continuum Dynamics simulations, incorporating periodic boundaries and dislocation interaction through stress-field superposition

  19. Rapid sampling of molecular motions with prior information constraints.

    Science.gov (United States)

    Raveh, Barak; Enosh, Angela; Schueler-Furman, Ora; Halperin, Dan

    2009-02-01

    Proteins are active, flexible machines that perform a range of different functions. Innovative experimental approaches may now provide limited partial information about conformational changes along motion pathways of proteins. There is therefore a need for computational approaches that can efficiently incorporate prior information into motion prediction schemes. In this paper, we present PathRover, a general setup designed for the integration of prior information into the motion planning algorithm of rapidly exploring random trees (RRT). Each suggested motion pathway comprises a sequence of low-energy clash-free conformations that satisfy an arbitrary number of prior information constraints. These constraints can be derived from experimental data or from expert intuition about the motion. The incorporation of prior information is very straightforward and significantly narrows down the vast search in the typically high-dimensional conformational space, leading to dramatic reduction in running time. To allow the use of state-of-the-art energy functions and conformational sampling, we have integrated this framework into Rosetta, an accurate protocol for diverse types of structural modeling. The suggested framework can serve as an effective complementary tool for molecular dynamics, Normal Mode Analysis, and other prevalent techniques for predicting motion in proteins. We applied our framework to three different model systems. We show that a limited set of experimentally motivated constraints may effectively bias the simulations toward diverse predicates in an outright fashion, from distance constraints to enforcement of loop closure. In particular, our analysis sheds light on mechanisms of protein domain swapping and on the role of different residues in the motion.

  20. Rapid sampling of molecular motions with prior information constraints.

    Directory of Open Access Journals (Sweden)

    Barak Raveh

    2009-02-01

    Full Text Available Proteins are active, flexible machines that perform a range of different functions. Innovative experimental approaches may now provide limited partial information about conformational changes along motion pathways of proteins. There is therefore a need for computational approaches that can efficiently incorporate prior information into motion prediction schemes. In this paper, we present PathRover, a general setup designed for the integration of prior information into the motion planning algorithm of rapidly exploring random trees (RRT. Each suggested motion pathway comprises a sequence of low-energy clash-free conformations that satisfy an arbitrary number of prior information constraints. These constraints can be derived from experimental data or from expert intuition about the motion. The incorporation of prior information is very straightforward and significantly narrows down the vast search in the typically high-dimensional conformational space, leading to dramatic reduction in running time. To allow the use of state-of-the-art energy functions and conformational sampling, we have integrated this framework into Rosetta, an accurate protocol for diverse types of structural modeling. The suggested framework can serve as an effective complementary tool for molecular dynamics, Normal Mode Analysis, and other prevalent techniques for predicting motion in proteins. We applied our framework to three different model systems. We show that a limited set of experimentally motivated constraints may effectively bias the simulations toward diverse predicates in an outright fashion, from distance constraints to enforcement of loop closure. In particular, our analysis sheds light on mechanisms of protein domain swapping and on the role of different residues in the motion.

  1. Molecular Motions in Functional Self-Assembled Nanostructures

    Directory of Open Access Journals (Sweden)

    Jean-Marc Saiter

    2013-01-01

    Full Text Available The construction of “smart” materials able to perform specific functions at the molecular scale through the application of various stimuli is highly attractive but still challenging. The most recent applications indicate that the outstanding flexibility of self-assembled architectures can be employed as a powerful tool for the development of innovative molecular devices, functional surfaces and smart nanomaterials. Structural flexibility of these materials is known to be conferred by weak intermolecular forces involved in self-assembly strategies. However, some fundamental mechanisms responsible for conformational lability remain unexplored. Furthermore, the role played by stronger bonds, such as coordination, ionic and covalent bonding, is sometimes neglected while they can be employed readily to produce mechanically robust but also chemically reversible structures. In this review, recent applications of structural flexibility and molecular motions in self-assembled nanostructures are discussed. Special focus is given to advanced materials exhibiting significant performance changes after an external stimulus is applied, such as light exposure, pH variation, heat treatment or electromagnetic field. The crucial role played by strong intra- and weak intermolecular interactions on structural lability and responsiveness is highlighted.

  2. Molecular Electronic Angular Motion Transducer Broad Band Self-Noise

    Science.gov (United States)

    Zaitsev, Dmitry; Agafonov, Vadim; Egorov, Egor; Antonov, Alexander; Shabalina, Anna

    2015-01-01

    Modern molecular electronic transfer (MET) angular motion sensors combine high technical characteristics with low cost. Self-noise is one of the key characteristics which determine applications for MET sensors. However, until the present there has not been a model describing the sensor noise in the complete operating frequency range. The present work reports the results of an experimental study of the self-noise level of such sensors in the frequency range of 0.01–200 Hz. Based on the experimental data, a theoretical model is developed. According to the model, self-noise is conditioned by thermal hydrodynamic fluctuations of the operating fluid flow in the frequency range of 0.01–2 Hz. At the frequency range of 2–100 Hz, the noise power spectral density has a specific inversely proportional dependence of the power spectral density on the frequency that could be attributed to convective processes. In the high frequency range of 100–200 Hz, the noise is conditioned by the voltage noise of the electronics module input stage operational amplifiers and is heavily reliant to the sensor electrical impedance. The presented results allow a deeper understanding of the molecular electronic sensor noise nature to suggest the ways to reduce it. PMID:26610502

  3. Kinematics of relative motion of test particles in general relativity

    International Nuclear Information System (INIS)

    Bazanski, S.L.

    1977-01-01

    A detailed mathematical study of the concept of geodesic deviation in pseudo-riemannian geometry is presented. A generalization of this concept to geodesic deviations of a higher order is then introduced and the second geodesic deviation is investigated in some detail. A geometric interpretation of the set of generalized geodesic deviations is given and applied in general relativity to determine a covariant and local description (with a desired order of accuracy) of test motions which take place in a certain finite neighbourhood of a given world line of an observer. The proper time evolution of two other objects related to geodesic deviation is also discussed: the space separation vector and the telescopic vector. This last name is given here to a field of null vectors along observer's world line which always point towards the same adjacent world line. The telescopic equations allow to determine the evolution of the frequency shift of electromagnetic radiation sent from and received on neighbouring world lines. On the basis of these equations also certain relations have been derived which connect the frequencies or frequency shifts with the curvature of space-time

  4. The motion of a charged particle in general relativity

    International Nuclear Information System (INIS)

    Ludvigsen, M.

    1979-01-01

    A new approach to the problem of the motion of a self-interacting massive charged particle in general relativity is presented. A charged Robinson-Trautman solution is used as a general relativistic model of such a particle. Such a solution is shown to generate a unique world line in its own H space, which is interpreted as the world line of the particle. Using the R-T dynamical relations, the equation of motion of the particle is derived, which, in the limiting case of zero curvature, is shown to be the same as the classical Lorentz-Dirac equation of motion. (author)

  5. Dynamic analysis of electron density in the course of the internal motion of molecular system

    International Nuclear Information System (INIS)

    Tachibana, A.; Hori, K.; Asai, Y.; Yamabe, T.

    1984-01-01

    The general dynamic aspect of electron density of a molecular system is studied on the basis of the general equation of the electron orbital which is formulated for the dynamic study of electronic motion. The newly defined electron orbital incorporates the dynamics of molecular vibration into the electronic structures. In this scheme, the change of electron distribution caused by excitation of vibrational state is defined as the ''dynamic electron transfer.'' The dynamic electron density is found to have the remarkable ''additive'' property. The time-dependent aspect of the dynamic electron redistribution is also analyzed on the basis of the ''coherent state.'' The new method relates the classical vibrational amplitude to the quantum number of the vibrational state. As a preliminary application of the present treatment, the dynamic electron densities of H 2 , HD, HT, HF, and HCl molecules are calculated by use of ab initio molecular orbital method

  6. Directional bias of illusory stream caused by relative motion adaptation.

    Science.gov (United States)

    Tomimatsu, Erika; Ito, Hiroyuki

    2016-07-01

    Enigma is an op-art painting that elicits an illusion of rotational streaming motion. In the present study, we tested whether adaptation to various motion configurations that included relative motion components could be reflected in the directional bias of the illusory stream. First, participants viewed the center of a rotating Enigma stimulus for adaptation. There was no physical motion on the ring area. During the adaptation period, the illusory stream on the ring was mainly seen in the direction opposite to that of the physical rotation. After the physical rotation stopped, the illusory stream on the ring was mainly seen in the same direction as that of the preceding physical rotation. Moreover, adapting to strong relative motion induced a strong bias in the illusory motion direction in the subsequently presented static Enigma stimulus. The results suggest that relative motion detectors corresponding to the ring area may produce the illusory stream of Enigma. Copyright © 2016 The Authors. Published by Elsevier Ltd.. All rights reserved.

  7. Nonresonant Multiple-Pulse Control of Molecular Motions in Liquid

    Directory of Open Access Journals (Sweden)

    Nikiforov V.G.

    2015-01-01

    Full Text Available We propose the implementation of the multiple-pulse excitation for manipulation of the molecular contributions to the optically-heterodyne-detected optical-Kerr-effect. The key parameters controlling the specificity of the multiple-pulse excitation scenarios are the pulses durations, the delays between pulses, the relation between the pump pulses amplitudes and the pulses polarizations. We model the high-order optical responses and consider some principles of the scenarios construction. We show that it is possible to adjust the excitation scenario in such a way that the some responses can be removed from detected signal along with the enhancement of the interested response amplitude. The theoretical analysis and first experimental data reveal that the multiple-pulse excitation technique can be useful for the selective spectroscopy of the molecular vibrations and rotations in liquid.

  8. Intramolecular diffusive motion in alkane monolayers studied by high-resolution quasielastic neutron scattering and molecular dynamics simulations

    DEFF Research Database (Denmark)

    Hansen, Flemming Yssing; Criswell, L.; Fuhrmann, D

    2004-01-01

    Molecular dynamics simulations of a tetracosane (n-C24H50) monolayer adsorbed on a graphite basal-plane surface show that there are diffusive motions associated with the creation and annihilation of gauche defects occurring on a time scale of similar to0.1-4 ns. We present evidence...... that these relatively slow motions are observable by high-energy-resolution quasielastic neutron scattering (QNS) thus demonstrating QNS as a technique, complementary to nuclear magnetic resonance, for studying conformational dynamics on a nanosecond time scale in molecular monolayers....

  9. Insight derived from molecular dynamics simulations into molecular motions, thermodynamics and kinetics of HIV-1 gp120.

    Directory of Open Access Journals (Sweden)

    Peng Sang

    Full Text Available Although the crystal structures of the HIV-1 gp120 core bound and pre-bound by CD4 are known, the details of dynamics involved in conformational equilibrium and transition in relation to gp120 function have remained elusive. The homology models of gp120 comprising the N- and C-termini and loops V3 and V4 in the CD4-bound and CD4-unbound states were built and subjected to molecular dynamics (MD simulations to investigate the differences in dynamic properties and molecular motions between them. The results indicate that the CD4-bound gp120 adopted a more compact and stable conformation than the unbound form during simulations. For both the unbound and bound gp120, the large concerted motions derived from essential dynamics (ED analyses can influence the size/shape of the ligand-binding channel/cavity of gp120 and, therefore, were related to its functional properties. The differences in motion direction between certain structural components of these two forms of gp120 were related to the conformational interconversion between them. The free energy calculations based on the metadynamics simulations reveal a more rugged and complex free energy landscape (FEL for the unbound than for the bound gp120, implying that gp120 has a richer conformational diversity in the unbound form. The estimated free energy difference of ∼-6.0 kJ/mol between the global minimum free energy states of the unbound and bound gp120 indicates that gp120 can transform spontaneously from the unbound to bound states, revealing that the bound state represents a high-probability "ground state" for gp120 and explaining why the unbound state resists crystallization. Our results provide insight into the dynamics-and-function relationship of gp120, and facilitate understandings of the thermodynamics, kinetics and conformational control mechanism of HIV-1 gp120.

  10. Chirality induction and protonation-induced molecular motions in helical molecular strands.

    Science.gov (United States)

    Kolomiets, Elena; Berl, Volker; Lehn, Jean-Marie

    2007-01-01

    The long oligopyridinedicarboxamide strand 9, containing 15 heterocyclic rings has been synthesized and its helical structure determined by X-ray crystallography. It was shown that the shorter analogue 6 displays induced circular dichroism and amplification of induced chirality upon dissolution in an optically active solvent, diethyl-L-tartrate. A novel class of helical foldamers was prepared, strands 14-16, based on two oligopyridine carboxamide segments linked through a L-tartaric acid derived spacer. These tartro strands display internal chirality induction as well as chirality amplification. NMR spectroscopy (on 8 and 9) and circular dichroism (on 16) studies show that the oligopyridine carboxamide strands undergo reversible unfolding/folding upon protonation. The protonation-induced unfolding has been confirmed by X-ray crystallographic determination of the molecular structure of the extended protonated heptameric form 8(+). The molecular-scale mechano-chemical motions of the protonation-induced structural switching consist of a change of the length of the molecule, from 6 angstroms (6, coiled form) to 29 angstroms (8(+), uncoiled form) for the heptamer and from 12.5 angstroms (9, coiled form, X-ray structure) to 57 angstroms (9(+), uncoiled form, from modeling) for the pentadecamer. Similar unfolding/folding motional processes take place in the L-tartro strands 15 and 16 upon protonation/deprotonation, with loss of helicity-induced circular dichroism on unfolding as shown for the protonated form 16(+).

  11. Femtosecond two-dimensional spectroscopy of molecular motion in liquids

    NARCIS (Netherlands)

    Steffen, T; Duppen, K.

    1996-01-01

    Intermolecular motion in CS2 and benzene is investigated by femtosecond nonresonant four- and six-wave mixing. Impulsive stimulated six-wave mixing yields new information on dephasing of coherent nuclear motion, not accessible from four-wave mixing experiments. The results cannot be modeled by two

  12. Relevance of motion-related assessment metrics in laparoscopic surgery.

    Science.gov (United States)

    Oropesa, Ignacio; Chmarra, Magdalena K; Sánchez-González, Patricia; Lamata, Pablo; Rodrigues, Sharon P; Enciso, Silvia; Sánchez-Margallo, Francisco M; Jansen, Frank-Willem; Dankelman, Jenny; Gómez, Enrique J

    2013-06-01

    Motion metrics have become an important source of information when addressing the assessment of surgical expertise. However, their direct relationship with the different surgical skills has not been fully explored. The purpose of this study is to investigate the relevance of motion-related metrics in the evaluation processes of basic psychomotor laparoscopic skills and their correlation with the different abilities sought to measure. A framework for task definition and metric analysis is proposed. An explorative survey was first conducted with a board of experts to identify metrics to assess basic psychomotor skills. Based on the output of that survey, 3 novel tasks for surgical assessment were designed. Face and construct validation was performed, with focus on motion-related metrics. Tasks were performed by 42 participants (16 novices, 22 residents, and 4 experts). Movements of the laparoscopic instruments were registered with the TrEndo tracking system and analyzed. Time, path length, and depth showed construct validity for all 3 tasks. Motion smoothness and idle time also showed validity for tasks involving bimanual coordination and tasks requiring a more tactical approach, respectively. Additionally, motion smoothness and average speed showed a high internal consistency, proving them to be the most task-independent of all the metrics analyzed. Motion metrics are complementary and valid for assessing basic psychomotor skills, and their relevance depends on the skill being evaluated. A larger clinical implementation, combined with quality performance information, will give more insight on the relevance of the results shown in this study.

  13. Effects of deformability and thermal motion of lipid membrane on electroporation: By molecular dynamics simulations

    KAUST Repository

    Sun, Sheng; Yin, Guangyao; Lee, Yi-Kuen; Wong, Joseph T.Y.; Zhang, Tong-Yi

    2011-01-01

    Effects of mechanical properties and thermal motion of POPE lipid membrane on electroporation were studied by molecular dynamics simulations. Among simulations in which specific atoms of lipids were artificially constrained at their equilibrium

  14. Features of projectile motion in the special theory of relativity

    International Nuclear Information System (INIS)

    Shahin, Ghassan Y

    2006-01-01

    A relativistic projectile motion in a vacuum is examined by means of elementary consequences of special relativity. Exact analytical expressions were found for the kinematics variables using basic mathematical tools. The trajectory equation was established and the area under the trajectory traversed by the relativistic projectile was determined. It was found that, unlike non-relativistic projectile motion, the launching angles that maximize both the horizontal range as well as the area under the trajectory are functions of the initial speed. It is anticipated that this paper will be consistent with the intuition of students and serve as a resource for further problems usually encountered in the special theory of relativity

  15. Radiation chemistry in high pressure paying attention to molecular motion and alignment

    International Nuclear Information System (INIS)

    Sasuga, Tsuneo

    1978-01-01

    Effects of high pressure or radiation-induced cross-linking of synthetic rubbers and polymerization of methacrylates and acrylonitrile (AN) have been studied paying attention to molecular motion and alignment. The following were revealed from radiation-induced crosslinking reaction, pressure-volume-temperature (P-V-T) measurement and chemical relaxation of polymer crosslinked at high pressure: (1) The rate of crosslinking is increased in compression especially in polymers containing double bonds, due to chain reaction through double bonds. (2) Crosslinking points of the polymer with double bonds crosslinked at high pressure are dispersed as cluster. (3) Crosslinking reaction is intimately related with change of the molecular motion in a polymer under pressure. Van't Hoff plots of methacrylates and AN breaked at a pressure depending on the monomer. The pressure giving the breaks depends on length of methacrylate. P-V curves of the polymer-monomer coexistence system as-polymerized exhibit peculiar behavior at the pressure giving the breaks. AN exhibits complicated polymerization behavior at a pressure changing compressibility of the monomer. From above results etc. it is concluded that monomer molecules are aligned in short range at a pressure corresponding to geometrical structure of the monomer molecules. (auth.)

  16. A Live-Time Relation: Motion Graphics meets Classical Music

    DEFF Research Database (Denmark)

    Steijn, Arthur

    2014-01-01

    , liveness and atmosphere. The design model will be a framework for both academic analytical studies as well as for designing time-based narratives and visual concepts involving motion graphics in spatial contexts. I focus on cases in which both pre-rendered, and live generated motion graphics are designed......In our digital age, we frequently meet fine examples of live performances of classical music with accompanying visuals. Yet, we find very little theoretical or analytical work on the relation between classical music and digital temporal visuals, nor on the process of creating them. In this paper, I...... present segments of my work toward a working model for the process of design of visuals and motion graphics applied in spatial contexts. I show how various design elements and components: line and shape, tone and colour, time and timing, rhythm and movement interact with conceptualizations of space...

  17. Controlling Motion at the Nanoscale: Rise of the Molecular Machines.

    Science.gov (United States)

    Abendroth, John M; Bushuyev, Oleksandr S; Weiss, Paul S; Barrett, Christopher J

    2015-08-25

    As our understanding and control of intra- and intermolecular interactions evolve, ever more complex molecular systems are synthesized and assembled that are capable of performing work or completing sophisticated tasks at the molecular scale. Commonly referred to as molecular machines, these dynamic systems comprise an astonishingly diverse class of motifs and are designed to respond to a plethora of actuation stimuli. In this Review, we outline the conditions that distinguish simple switches and rotors from machines and draw from a variety of fields to highlight some of the most exciting recent examples of opportunities for driven molecular mechanics. Emphasis is placed on the need for controllable and hierarchical assembly of these molecular components to display measurable effects at the micro-, meso-, and macroscales. As in Nature, this strategy will lead to dramatic amplification of the work performed via the collective action of many machines organized in linear chains, on functionalized surfaces, or in three-dimensional assemblies.

  18. Nonisothermal Brownian motion: Thermophoresis as the macroscopic manifestation of thermally biased molecular motion.

    Science.gov (United States)

    Brenner, Howard

    2005-12-01

    A quiescent single-component gravity-free gas subject to a small steady uniform temperature gradient T, despite being at rest, is shown to experience a drift velocity UD=-D* gradient ln T, where D* is the gas's nonisothermal self-diffusion coefficient. D* is identified as being the gas's thermometric diffusivity alpha. The latter differs from the gas's isothermal isotopic self-diffusion coefficient D, albeit only slightly. Two independent derivations are given of this drift velocity formula, one kinematical and the other dynamical, both derivations being strictly macroscopic in nature. Within modest experimental and theoretical uncertainties, this virtual drift velocity UD=-alpha gradient ln T is shown to be constitutively and phenomenologically indistinguishable from the well-known experimental and theoretical formulas for the thermophoretic velocity U of a macroscopic (i.e., non-Brownian) non-heat-conducting particle moving under the influence of a uniform temperature gradient through an otherwise quiescent single-component rarefied gas continuum at small Knudsen numbers. Coupled with the size independence of the particle's thermophoretic velocity, the empirically observed equality, U=UD, leads naturally to the hypothesis that these two velocities, the former real and the latter virtual, are, in fact, simply manifestations of the same underlying molecular phenomenon, namely the gas's Brownian movement, albeit biased by the temperature gradient. This purely hydrodynamic continuum-mechanical equality is confirmed by theoretical calculations effected at the kinetic-molecular level on the basis of an existing solution of the Boltzmann equation for a quasi-Lorentzian gas, modulo small uncertainties pertaining to the choice of collision model. Explicitly, this asymptotically valid molecular model allows the virtual drift velocity UD of the light gas and the thermophoretic velocity U of the massive, effectively non-Brownian, particle, now regarded as the tracer particle

  19. The difference between the perception of absolute and relative motion: A reaction time study

    NARCIS (Netherlands)

    J.B.J. Smeets (Jeroen); E. Brenner (Eli)

    1994-01-01

    textabstractWe used a reaction-time paradigm to examine the extent to which motion detection depends on relative motion. In the absence of relative motion, the responses could be described by a simple model based on the detection of a fixed change in position. If relative motion was present, the

  20. Dynamics and control of Lorentz-augmented spacecraft relative motion

    CERN Document Server

    Yan, Ye; Yang, Yueneng

    2017-01-01

    This book develops a dynamical model of the orbital motion of Lorentz spacecraft in both unperturbed and J2-perturbed environments. It explicitly discusses three kinds of typical space missions involving relative orbital control: spacecraft hovering, rendezvous, and formation flying. Subsequently, it puts forward designs for both open-loop and closed-loop control schemes propelled or augmented by the geomagnetic Lorentz force. These control schemes are entirely novel and represent a significantly departure from previous approaches.

  1. Broad line and pulsed NMR study of molecular motion in furfuryl alcohol resins

    International Nuclear Information System (INIS)

    Glowinkowski, S.; Pajak, Z.

    1978-01-01

    Broad line and pulsed nuclear magnetic resonance studies are carried out on a number of furfuryl alcohol resins differentiated by viscosity. Proton NMR spectra and relaxation times T 1 and Tsub(1rho) are measured over a wide temperature range and the results are interpreted in terms of molecular motion. The marked decrease in second moment and existence of high temperature spin-lattice relaxation times minima are presumed to result from rotational motion of polymer chains. The relaxation processes at low temperature are believed to be due to rotational motion of methyl endgroup and paramagnetic centres. (author)

  2. Oscillating molecular dipoles require strongly correlated electronic and nuclear motion

    International Nuclear Information System (INIS)

    Chang, Bo Y; Shin, Seokmin; Palacios, Alicia; Martín, Fernando; Sola, Ignacio R

    2015-01-01

    To create an oscillating electric dipole in an homonuclear diatomic cation without an oscillating driver one needs (i) to break the symmetry of the system and (ii) to sustain highly correlated electronic and nuclear motion. Based on numerical simulations in H 2 + we present results for two schemes. In the first one (i) is achieved by creating a superposition of symmetric and antisymmetric electronic states freely evolving, while (ii) fails. In a second scheme, by preparing the system in a dressed state of a strong static field, both conditions hold. We then analyze the robustness of this scheme with respect to features of the nuclear wave function and its intrinsic sources of decoherence. (tutorial)

  3. Ground Motion Relations While TBM Drilling in Unconsolidated Sediments

    Science.gov (United States)

    Grund, Michael; Ritter, Joachim R. R.; Gehrig, Manuel

    2016-05-01

    The induced ground motions due to the tunnel boring machine (TBM), which has been used for the drilling of the urban metro tunnel in Karlsruhe (SW Germany), has been studied using the continuous recordings of seven seismological monitoring stations. The drilling has been undertaken in unconsolidated sediments of the Rhine River system, relatively close to the surface at 6-20 m depth and in the vicinity of many historic buildings. Compared to the reference values of DIN 4150-3 (1-80 Hz), no exceedance of the recommended peak ground velocity (PGV) limits (3-5 mm/s) was observed at the single recording site locations on building basements during the observation period between October 2014 and February 2015. Detailed analyses in the time and frequency domains helped with the detection of the sources of several specific shaking signals in the recorded time series and with the comparison of the aforementioned TBM-induced signals. The amplitude analysis allowed for the determination of a PGV attenuation relation (quality factor Q ~ 30-50) and the comparison of the TBM-induced ground motion with other artificially induced and natural ground motions of similar amplitudes.

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

    International Nuclear Information System (INIS)

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

    1983-01-01

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

  5. Relative Motion of the WDS 05110+3203 STF 648 System, With a Protocol for Calculating Relative Motion

    Science.gov (United States)

    Wiley, E. O.

    2010-07-01

    Relative motion studies of visual double stars can be investigated using least squares regression techniques and readily accessible programs such as Microsoft Excel and a calculator. Optical pairs differ from physical pairs under most geometries in both their simple scatter plots and their regression models. A step-by-step protocol for estimating the rectilinear elements of an optical pair is presented. The characteristics of physical pairs using these techniques are discussed.

  6. Relative roughness controls on incipient sediment motion in steep channels

    Science.gov (United States)

    Prancevic, J.; Lamb, M. P.; Fuller, B. M.

    2012-12-01

    For over eight decades, researchers have noted an appreciable increase in the nondimensional shear stress (Shields number) at initiation of fluvial bedload transport with increasing bed slope. The precise cause of the trend, however, is obscured by the covariance of several factors with increased slope: a greater downstream component of the gravity acting on the grains and fluid, changes in bed morphology, increased grainsize relative to the channel width that may lead to grain bridging, and increased grainsize relative to flow depth (relative roughness) that may change flow hydraulics and particle buoyancy. Here, we report on ongoing laboratory experiments spanning a wide range of bed slopes (2% to 67%) designed to isolate these variables and determine the true cause of heightened critical Shields numbers on steep slopes. First, we eliminated bed morphology as a factor by using only planar beds. To investigate the effect of grain bridging, we used two different channel widths, representing width-to-grainsize ratios of 23:1 and 9:1. Finally, to separate the effects of slope from relative roughness, we compared incipient motion conditions for acrylic particles (submerged specific gravity of 0.15) to natural siliciclastic gravel (submerged specific gravity of 1.65). Different particle densities allowed us to explore incipient motion as a function of relative roughness, independent of channel slope, because lighter particles move at shallower flow depths than heavier ones of the same size. Results show that both materials exhibit a positive trend between bed slope and critical Shields number despite the existence of planar beds for all slopes. Furthermore, changing the grainsize-to-width ratio had a negligible effect on this trend. For all slopes, the critical Shields number for bedload transport was higher for the acrylic particles than for gravel, indicating that relative roughness has a strong control on incipient sediment motion independent of channel slope. These

  7. Controlled Folding, Motional, and Constitutional Dynamic Processes of Polyheterocyclic Molecular Strands.

    Science.gov (United States)

    Barboiu, Mihail; Stadler, Adrian-Mihail; Lehn, Jean-Marie

    2016-03-18

    General design principles have been developed for the control of the structural features of polyheterocyclic strands and their effector-modulated shape changes. Induced defined molecular motions permit designed enforcement of helical as well as linear molecular shapes. The ability of such molecular strands to bind metal cations allows the generation of coiling/uncoiling processes between helically folded and extended linear states. Large molecular motions are produced on coordination of metal ions, which may be made reversible by competition with an ancillary complexing agent and fueled by sequential acid/base neutralization energy. The introduction of hydrazone units into the strands confers upon them constitutional dynamics, whereby interconversion between different strand compositions is achieved through component exchange. These features have relevance for nanomechanical devices. We present a morphological and functional analysis of such systems developed in our laboratories. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Voltage Sensing in Membranes: From Macroscopic Currents to Molecular Motions.

    Science.gov (United States)

    Freites, J Alfredo; Tobias, Douglas J

    2015-06-01

    Voltage-sensing domains (VSDs) are integral membrane protein units that sense changes in membrane electric potential, and through the resulting conformational changes, regulate a specific function. VSDs confer voltage-sensitivity to a large superfamily of membrane proteins that includes voltage-gated Na[Formula: see text], K[Formula: see text], Ca[Formula: see text] ,and H[Formula: see text] selective channels, hyperpolarization-activated cyclic nucleotide-gated channels, and voltage-sensing phosphatases. VSDs consist of four transmembrane segments (termed S1 through S4). Their most salient structural feature is the highly conserved positions for charged residues in their sequences. S4 exhibits at least three conserved triplet repeats composed of one basic residue (mostly arginine) followed by two hydrophobic residues. These S4 basic side chains participate in a state-dependent internal salt-bridge network with at least four acidic residues in S1-S3. The signature of voltage-dependent activation in electrophysiology experiments is a transient current (termed gating or sensing current) upon a change in applied membrane potential as the basic side chains in S4 move across the membrane electric field. Thus, the unique structural features of the VSD architecture allow for competing requirements: maintaining a series of stable transmembrane conformations, while allowing charge motion, as briefly reviewed here.

  9. Molecular nanomagnets and related phenomena

    Energy Technology Data Exchange (ETDEWEB)

    Gao, Song (ed.) [Peking Univ., Beijing (China). College of Chemistry and Molecular Engineering

    2015-07-01

    The series Structure and Bonding publishes critical reviews on topics of research concerned with chemical structure and bonding. The scope of the series spans the entire Periodic Table and addresses structure and bonding issues associated with all of the elements. It also focuses attention on new and developing areas of modern structural and theoretical chemistry such as nanostructures, molecular electronics, designed molecular solids, surfaces, metal clusters and supramolecular structures. Physical and spectroscopic techniques used to determine, examine and model structures fall within the purview of Structure and Bonding to the extent that the focus is on the scientific results obtained and not on specialist information concerning the techniques themselves. Issues associated with the development of bonding models and generalizations that illuminate the reactivity pathways and rates of chemical processes are also relevant. The individual volumes in the series are thematic. The goal of each volume is to give the reader, whether at a university or in industry, a comprehensive overview of an area where new insights are emerging that are of interest to a larger scientific audience. Thus each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years should be presented using selected examples to illustrate the principles discussed. A description of the physical basis of the experimental techniques that have been used to provide the primary data may also be appropriate, if it has not been covered in detail elsewhere. The coverage need not be exhaustive in data, but should rather be conceptual, concentrating on the new principles being developed that will allow the reader, who is not a specialist in the area covered, to understand the data presented. Discussion of possible future research directions in the area is welcomed. Review articles for

  10. Molecular nanomagnets and related phenomena

    International Nuclear Information System (INIS)

    Gao, Song

    2015-01-01

    The series Structure and Bonding publishes critical reviews on topics of research concerned with chemical structure and bonding. The scope of the series spans the entire Periodic Table and addresses structure and bonding issues associated with all of the elements. It also focuses attention on new and developing areas of modern structural and theoretical chemistry such as nanostructures, molecular electronics, designed molecular solids, surfaces, metal clusters and supramolecular structures. Physical and spectroscopic techniques used to determine, examine and model structures fall within the purview of Structure and Bonding to the extent that the focus is on the scientific results obtained and not on specialist information concerning the techniques themselves. Issues associated with the development of bonding models and generalizations that illuminate the reactivity pathways and rates of chemical processes are also relevant. The individual volumes in the series are thematic. The goal of each volume is to give the reader, whether at a university or in industry, a comprehensive overview of an area where new insights are emerging that are of interest to a larger scientific audience. Thus each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years should be presented using selected examples to illustrate the principles discussed. A description of the physical basis of the experimental techniques that have been used to provide the primary data may also be appropriate, if it has not been covered in detail elsewhere. The coverage need not be exhaustive in data, but should rather be conceptual, concentrating on the new principles being developed that will allow the reader, who is not a specialist in the area covered, to understand the data presented. Discussion of possible future research directions in the area is welcomed. Review articles for

  11. Dielectric studies of molecular motions in glassy and liquid nicotine

    Energy Technology Data Exchange (ETDEWEB)

    Kaminski, K [Institute of Physics, Silesian University, ulica Uniwersytecka 4, 40-007 Katowice (Poland); Paluch, M [Institute of Physics, Silesian University, ulica Uniwersytecka 4, 40-007 Katowice (Poland); Ziolo, J [Institute of Physics, Silesian University, ulica Uniwersytecka 4, 40-007 Katowice (Poland); Ngai, K L [Naval Research Laboratory, Washington DC 20375-5320 (United States)

    2006-06-21

    The dielectric permittivity and loss spectra of glassy and liquid states of nicotine have been measured over the frequency range 10{sup -2}-10{sup 9} Hz. The relaxation spectra are similar to common small molecular glass-forming substances, showing the structural {alpha}-relaxation and its precursor, the Johari-Goldstein {beta}-relaxation. The {alpha}-relaxation is well described by the Fourier transform of the Kohlrausch-Williams-Watts stretched exponential function with an approximately constant stretch exponent that is equal to 0.70 as the glass transition temperature is approached. The dielectric {alpha}-relaxation time measured over 11 orders of magnitude cannot be described by a single Vogel-Fulcher-Tamman-Hesse equation. The most probable Johari-Goldstein {beta}-relaxation time determined from the dielectric spectra is in good agreement with the primitive relaxation time of the coupling model calculated from parameters of the structural {alpha}-relaxation. The shape of the dielectric spectra of nicotine is compared with that of other glass-formers having about the same stretch exponent, and they are shown to be nearly isomorphic. The results indicate that the molecular dynamics of nicotine conform to the general pattern found in other glass-formers, and the presence of the universal Johari-Goldstein secondary relaxation, which plays a role in the crystallization of amorphous pharmaceuticals.

  12. Molecular Dynamics Study of Thermally Augmented Nanodroplet Motion on Chemical Energy Induced Wettability Gradient Surfaces.

    Science.gov (United States)

    Chakraborty, Monojit; Chowdhury, Anamika; Bhusan, Richa; DasGupta, Sunando

    2015-10-20

    Droplet motion on a surface with chemical energy induced wettability gradient has been simulated using molecular dynamics (MD) simulation to highlight the underlying physics of molecular movement near the solid-liquid interface including the contact line friction. The simulations mimic experiments in a comprehensive manner wherein microsized droplets are propelled by the surface wettability gradient against forces opposed to motion. The liquid-wall Lennard-Jones interaction parameter and the substrate temperature are varied to explore their effects on the three-phase contact line friction coefficient. The contact line friction is observed to be a strong function of temperature at atomistic scales, confirming their experimentally observed inverse functionality. Additionally, the MD simulation results are successfully compared with those from an analytical model for self-propelled droplet motion on gradient surfaces.

  13. Motion Tree Delineates Hierarchical Structure of Protein Dynamics Observed in Molecular Dynamics Simulation.

    Directory of Open Access Journals (Sweden)

    Kei Moritsugu

    Full Text Available Molecular dynamics (MD simulations of proteins provide important information to understand their functional mechanisms, which are, however, likely to be hidden behind their complicated motions with a wide range of spatial and temporal scales. A straightforward and intuitive analysis of protein dynamics observed in MD simulation trajectories is therefore of growing significance with the large increase in both the simulation time and system size. In this study, we propose a novel description of protein motions based on the hierarchical clustering of fluctuations in the inter-atomic distances calculated from an MD trajectory, which constructs a single tree diagram, named a "Motion Tree", to determine a set of rigid-domain pairs hierarchically along with associated inter-domain fluctuations. The method was first applied to the MD trajectory of substrate-free adenylate kinase to clarify the usefulness of the Motion Tree, which illustrated a clear-cut dynamics picture of the inter-domain motions involving the ATP/AMP lid and the core domain together with the associated amplitudes and correlations. The comparison of two Motion Trees calculated from MD simulations of ligand-free and -bound glutamine binding proteins clarified changes in inherent dynamics upon ligand binding appeared in both large domains and a small loop that stabilized ligand molecule. Another application to a huge protein, a multidrug ATP binding cassette (ABC transporter, captured significant increases of fluctuations upon binding a drug molecule observed in both large scale inter-subunit motions and a motion localized at a transmembrane helix, which may be a trigger to the subsequent structural change from inward-open to outward-open states to transport the drug molecule. These applications demonstrated the capabilities of Motion Trees to provide an at-a-glance view of various sizes of functional motions inherent in the complicated MD trajectory.

  14. Improving pulse oximetry accuracy by removing motion artifacts from photoplethysmograms using relative sensor motion: a preliminary study

    NARCIS (Netherlands)

    Wijshoff, R.W.C.G.R.; Mischi, M.; Woerlee, P.H.; Aarts, R.M.; Van Huffel, S.; Naelaers, G.; Caicedo, A.; Bruley, D.F.; Harrison, D.K.

    2013-01-01

    To expand applicability of pulse oximetry in low-acuity ambulatory settings, the impact of motion on extracted parameters as saturation (SpO2) and pulse rate (PR) needs to be reduced. We hypothesized that sensor motion relative to the skin can be used as an artifact reference in a correlation

  15. Molecular symmetry, super-rotation, and semiclassical motion new ideas for solving old problems

    CERN Document Server

    Schmiedt, Hanno

    2017-01-01

    This book presents a range of fundamentally new approaches to solving problems involving traditional molecular models. Fundamental molecular symmetry is shown to open new avenues for describing molecular dynamics beyond standard perturbation techniques. Traditional concepts used to describe molecular dynamics are based on a few fundamental assumptions, the ball-and-stick picture of molecular structure and the respective perturbative treatment of different kinds of couplings between otherwise separate motions.  The book points out the conceptual limits of these models and, by focusing on the most essential idea of theoretical physics, namely symmetry, shows how to overcome those limits by introducing fundamentally new concepts. The book begins with an introduction to molecular symmetry in general, followed by a discussion of nuclear spin symmetry. Here, a new correlation between identical particle exchange and spin angular momentum symmetry of nuclei is exhibited. The central part of the book is the discussio...

  16. Molecular Diagnostics of the Internal Motions of Massive Cores

    Science.gov (United States)

    Pineda, Jorge; Velusamy, T.; Goldsmith, P.; Li, D.; Peng, R.; Langer, W.

    2009-12-01

    We present models of the internal kinematics of massive cores in the Orion molecular cloud. We use a sample of cores studied by Velusamy et al. (2008) that show red, blue, and no asymmetry in their HCO+ line profiles in equal proportion, and which therefore may represent a sample of cores in different kinematic states. We use the radiative transfer code RATRAN (Hogerheijde & van der Tak 2000) to model several transitions of HCO+ and H13CO+ as well as the dust continuum emission, of a spherical model cloud with radial density, temperature, and velocity gradients. We find that an excitation and velocity gradients are prerequisites to reproduce the observed line profiles. We use the dust continuum emission to constrain the density and temperature gradients. This allows us to narrow down the functional forms of the velocity gradient giving us the opportunity to test several theoretical predictions of velocity gradients produced by the effect of magnetic fields (e.g. Tassis et. al. 2007) and turbulence (e.g. Vasquez-Semanedi et al 2007).

  17. Geometrical determination of the constant of motion in General Relativity

    International Nuclear Information System (INIS)

    Catoni, F.; Cannata, R.; Zampetti, P.

    2009-01-01

    In recent time a theorem, due to E. Beltrami, through which the integration of the geodesic equations of a curved manifold is obtained by means of a merely geometric method, has been revisited. This way of dealing with the problem is well in accordance with the geometric spirit of the Theory of General Relativity. In this paper we show another relevant consequence of this method. Actually, the constants of the motion, introduced in this geometrical way that is completely independent of Newton theory, are related to the conservation laws for test particles in the Einstein theory. These conservation laws may be compared with the conservation laws of Newton. In particular, by the conservation of energy (E) and the L z component of angular momentum, the equivalence of the conservation laws for the Schwarzschild field is verified and the difference between Newton and Einstein theories for the rotating bodies (Kerr metric) is obtained in a straightforward way.

  18. Relative dynamics and motion control of nanosatellite formation flying

    Science.gov (United States)

    Pimnoo, Ammarin; Hiraki, Koju

    2016-04-01

    Orbit selection is a necessary factor in nanosatellite formation mission design/meanwhile, to keep the formation, it is necessary to consume fuel. Therefore, the best orbit design for nanosatellite formation flying should be one that requires the minimum fuel consumption. The purpose of this paper is to analyse orbit selection with respect to the minimum fuel consumption, to provide a convenient way to estimate the fuel consumption for keeping nanosatellite formation flying and to present a simplified method of formation control. The formation structure is disturbed by J2 gravitational perturbation and other perturbing accelerations such as atmospheric drag. First, Gauss' Variation Equations (GVE) are used to estimate the essential ΔV due to the J2 perturbation and atmospheric drag. The essential ΔV presents information on which orbit is good with respect to the minimum fuel consumption. Then, the linear equations which account for J2 gravitational perturbation of Schweighart-Sedwick are presented and used to estimate the fuel consumption to maintain the formation structure. Finally, the relative dynamics motion is presented as well as a simplified motion control of formation structure by using GVE.

  19. Ground Motion Relations for the Upper Rhine Graben

    Science.gov (United States)

    Calbini, V.; Granet, M.; Camelbeeck, T.

    2006-12-01

    Earthquake in Europe are primarily located within the Euro-Mediterranean domain. However, the Upper Rhine Graben (URG) region regularly suffers earthquakes which are felt physically by inhabitants and cause damage to private property and the industrial infrastructure. In 1356, a major earthquake (I0 = X) destroyed part of the city of Basel. Recently, several events having M > 5 have shaken this area. In the framework of an INTERREG III project funded by the European community, a microzonation study has been achieved across the "three borders" area including the cities of Basel and Mulhouse. In particular, the ground motion was studied. The URG, which belongs to the ECRIS (European Cenozoic Rift System), is characterized by rift-related sedimentary basins with several hundreds meters of tertiary sediments overlaying the basement. Such a subsurface geology leads to strong site effects. Predictive attenuation laws and their related uncertainties are evaluated considering strong motions records and velocimetric records from small to moderate local events (Magnitude ranging 3 related to a frequency dependant quality factor). Site effects are considered by using transfer functions calculated for each station. Finally, the relationships between Ml and Mw are investigated. The results show a dependence of these laws on the frequency band and a discrepancy with general laws obtained for western and central Europe. We shall discuss these results in the tectonic and geologic context of URG.

  20. Visualization of the collective vortex-like motions in liquid argon and water: Molecular dynamics simulation

    Science.gov (United States)

    Anikeenko, A. V.; Malenkov, G. G.; Naberukhin, Yu. I.

    2018-03-01

    We propose a new measure of collectivity of molecular motion in the liquid: the average vector of displacement of the particles, ⟨ΔR⟩, which initially have been localized within a sphere of radius Rsph and then have executed the diffusive motion during a time interval Δt. The more correlated the motion of the particles is, the longer will be the vector ⟨ΔR⟩. We visualize the picture of collective motions in molecular dynamics (MD) models of liquids by constructing the ⟨ΔR⟩ vectors and pinning them to the sites of the uniform grid which divides each of the edges of the model box into equal parts. MD models of liquid argon and water have been studied by this method. Qualitatively, the patterns of ⟨ΔR⟩ vectors are similar for these two liquids but differ in minor details. The most important result of our research is the revealing of the aggregates of ⟨ΔR⟩ vectors which have the form of extended flows which sometimes look like the parts of vortices. These vortex-like clusters of ⟨ΔR⟩ vectors have the mesoscopic size (of the order of 10 nm) and persist for tens of picoseconds. Dependence of the ⟨ΔR⟩ vector field on parameters Rsph, Δt, and on the model size has been investigated. This field in the models of liquids differs essentially from that in a random-walk model.

  1. Molecular motors that digest their track to rectify Brownian motion: processive movement of exonuclease enzymes.

    Science.gov (United States)

    Xie, Ping

    2009-09-16

    A general model is presented for the processive movement of molecular motors such as λ-exonuclease, RecJ and exonuclease I that use digestion of a DNA track to rectify Brownian motion along this track. Using this model, the translocation dynamics of these molecular motors is studied. The sequence-dependent pausing of λ-exonuclease, which results from a site-specific high affinity DNA interaction, is also studied. The theoretical results are consistent with available experimental data. Moreover, the model is used to predict the lifetime distribution and force dependence of these paused states.

  2. Molecular motors that digest their track to rectify Brownian motion: processive movement of exonuclease enzymes

    International Nuclear Information System (INIS)

    Xie Ping

    2009-01-01

    A general model is presented for the processive movement of molecular motors such as λ-exonuclease, RecJ and exonuclease I that use digestion of a DNA track to rectify Brownian motion along this track. Using this model, the translocation dynamics of these molecular motors is studied. The sequence-dependent pausing of λ-exonuclease, which results from a site-specific high affinity DNA interaction, is also studied. The theoretical results are consistent with available experimental data. Moreover, the model is used to predict the lifetime distribution and force dependence of these paused states.

  3. The use of symmetrized valence and relative motion coordinates for crystal potentials

    DEFF Research Database (Denmark)

    McMurry, H. L.; Hansen, Flemming Yssing

    1980-01-01

    Symmetrized valence coordinates are linear combinations of conventional valence coordinates which display the symmetry of a set of atoms bound by the valence bonds. Relative motion coordinates are relative translations, or relative rotations, of two or more strongly bonded groups of atoms among...... which relatively weak forces act. They are useful for expressing interactions between molecules in molecular crystals and should be chosen, also, to reflect the symmetry of the interacting groups. Since coordinates defined by these procedures possess elements of symmetry in common with the bonding...... interaction constants coupling coordinates of unlike symmetry with regard to the crystal point group are necessarily zero. They may be small, also, for coordinates which belong to different representations of the local symmetry when this is not the same as for the crystal. Procedures are given for defining...

  4. Vection and visually induced motion sickness: How are they related?

    Directory of Open Access Journals (Sweden)

    Behrang eKeshavarz

    2015-04-01

    Full Text Available The occurrence of visually induced motion sickness has been frequently linked to the sensation of illusory self-motion (so-called vection, however, the precise nature of this relationship is still not fully understood. To date, it is still a matter of debate whether or not vection is a necessary prerequisite for visually induced motion sickness (VIMS. That is, can there be visually induced motion sickness without any sensation of self-motion? In this paper, we will describe the possible nature of this relationship, review the literature that may speak to this relationship (including theoretical accounts of vection and VIMS, and offer suggestions with respect to operationally defining and reporting these phenomena in future.

  5. Learning Grasp Strategies Composed of Contact Relative Motions

    Science.gov (United States)

    Platt, Robert, Jr.

    2007-01-01

    Of central importance to grasp synthesis algorithms are the assumptions made about the object to be grasped and the sensory information that is available. Many approaches avoid the issue of sensing entirely by assuming that complete information is available. In contrast, this paper proposes an approach to grasp synthesis expressed in terms of units of control that simultaneously change the contact configuration and sense information about the object and the relative manipulator-object pose. These units of control, known as contact relative motions (CRMs), allow the grasp synthesis problem to be recast as an optimal control problem where the goal is to find a strategy for executing CRMs that leads to a grasp in the shortest number of steps. An experiment is described that uses Robonaut, the NASA-JSC space humanoid, to show that CRMs are a viable means of synthesizing grasps. However, because of the limited amount of information that a single CRM can sense, the optimal control problem may be partially observable. This paper proposes expressing the problem as a k-order Markov Decision Process (MDP) and solving it using Reinforcement Learning. This approach is tested in a simulation of a two-contact manipulator that learns to grasp an object. Grasp strategies learned in simulation are tested on the physical Robonaut platform and found to lead to grasp configurations consistently.

  6. Relative Status Determination for Spacecraft Relative Motion Based on Dual Quaternion

    Directory of Open Access Journals (Sweden)

    Jun Sun

    2014-01-01

    Full Text Available For the two-satellite formation, the relative motion and attitude determination algorithm is a key component that affects the flight quality and mission efficiency. The relative status determination algorithm is proposed based on the Extended Kalman Filter (EKF and the system state optimal estimate linearization. Aiming at the relative motion of the spacecraft formation navigation problem, the spacecraft relative kinematics and dynamics model are derived from the dual quaternion in the algorithm. Then taking advantage of EKF technique, combining with the dual quaternion integrated dynamic models, considering the navigation algorithm using the fusion measurement by the gyroscope and star sensors, the relative status determination algorithm is designed. At last the simulation is done to verify the feasibility of the algorithm. The simulation results show that the EKF algorithm has faster convergence speed and higher accuracy.

  7. Shuttlecock-Shaped Molecular Rectifier: Asymmetric Electron Transport Coupled with Controlled Molecular Motion.

    Science.gov (United States)

    Ryu, Taekhee; Lansac, Yves; Jang, Yun Hee

    2017-07-12

    A fullerene derivative with five hydroxyphenyl groups attached around a pentagon, (4-HOC 6 H 4 ) 5 HC 60 (1), has shown an asymmetric current-voltage (I-V) curve in a conducting atomic force microscopy experiment on gold. Such molecular rectification has been ascribed to the asymmetric distribution of frontier molecular orbitals over its shuttlecock-shaped structure. Our nonequilibrium Green's function (NEGF) calculations based on density functional theory (DFT) indeed exhibit an asymmetric I-V curve for 1 standing up between two Au(111) electrodes, but the resulting rectification ratio (RR ∼ 3) is insufficient to explain the wide range of RR observed in experiments performed under a high bias voltage. Therefore, we formulate a hypothesis that high RR (>10) may come from molecular orientation switching induced by a strong electric field applied between two electrodes. Indeed, molecular dynamics simulations of a self-assembled monolayer of 1 on Au(111) show that the orientation of 1 can be switched between standing-up and lying-on-the-side configurations in a manner to align its molecular dipole moment with the direction of the applied electric field. The DFT-NEGF calculations taking into account such field-induced reorientation between up and side configurations indeed yield RR of ∼13, which agrees well with the experimental value obtained under a high bias voltage.

  8. Effects of deformability and thermal motion of lipid membrane on electroporation: By molecular dynamics simulations

    International Nuclear Information System (INIS)

    Sun, Sheng; Yin, Guangyao; Lee, Yi-Kuen; Wong, Joseph T.Y.; Zhang, Tong-Yi

    2011-01-01

    Research highlights: → MD simulations show that deformability and thermal motion of membrane affect electroporation. → Stiffer membrane inhibits electroporation and makes water penetrate from both sides. → Higher temperature accelerates electroporation. -- Abstract: Effects of mechanical properties and thermal motion of POPE lipid membrane on electroporation were studied by molecular dynamics simulations. Among simulations in which specific atoms of lipids were artificially constrained at their equilibrium positions using a spring with force constant of 2.0 kcal/(mol A 2 ) in the external electric field of 1.4 kcal/(mol A e), only constraint on lateral motions of lipid tails prohibited electroporation while non-tail parts had little effects. When force constant decreased to 0.2 kcal/(mol A 2 ) in the position constraints on lipid tails in the external electric field of 2.0 kcal/(mol A e), water molecules began to enter the membrane. Position constraints of lipid tails allow water to penetrate from both sides of membrane. Thermal motion of lipids can induce initial defects in the hydrophobic core of membrane, which are favorable nucleation sites for electroporation. Simulations at different temperatures revealed that as the temperature increases, the time taken to the initial pore formation will decrease.

  9. Short-Term Comparison of Several Solutinos of Elliptic Relative Motion

    Directory of Open Access Journals (Sweden)

    Jung Hyun Jo

    2007-12-01

    Full Text Available Recently introduced, several explicit solutions of relative motion between neighboring elliptic satellite orbits are reviewed. The performance of these solutions is compared with an analytic solution of the general linearized equation of motion. The inversion solution by the Hill-Clohessy-Wiltshire equations is used to produce the initial condition of numerical results. Despite the difference of the reference orbit, the relative motion with the relatively small eccentricity shows the similar results on elliptic case and circular case. In case of the 'chief' satellite with the relatively large eccentricity, HCW equation with the circular reference orbit has relatively larger error than other elliptic equation of motion does.

  10. Molecular motion of micellar solutes: a 13C NMR relaxation study

    International Nuclear Information System (INIS)

    Stark, R.E.; Kasakevich, M.L.; Granger, J.W.

    1982-01-01

    A series of simple NMR relaxation experiments have been performed on nitrobenzene and aniline dissolved in the ionic detergents sodium dodecyl sulfate (SDS) and hexadecyltrimethylammonium bromide (CTAB). Using 13 C relaxation rates at various molecular sites, and comparing data obtained in organic media with those for micellar solutions, the viscosity at the solubilization site was estimated and a detailed picture of motional restrictions imposed by the micellar enviroment was derived. Viscosities of 8 to 17 cp indicate a rather fluid environment for solubilized nitrobenzene; both additives exhibit altered motional preferences in CTAB solutions only. As an aid in interpretation of the NMR data, quasi-elastic light scattering and other physical techniques have been used to evaluate the influence of organic solutes on micellar size and shape. The NMR methods are examined critically in terms of their general usefulness for studies of solubilization in detergent micelles. 48 references

  11. Relation of external surface to internal tumor motion studied with cine CT

    International Nuclear Information System (INIS)

    Chi, P.-C.M.; Balter, Peter; Luo Dershan; Mohan, Radhe; Pan Tinsu

    2006-01-01

    The accuracy of delivering gated-radiation therapy to lung tumors using an external respiratory surrogate relies on not only interfractional and intrafractional reproducibility, but also a strong correlation between external motion and internal tumor motion. The purpose of this work was to use the cine images acquired by four-dimensional computed tomography acquisition protocol to study the relation between external surface motion and internal tumor motion. The respiratory phase information of tumor motion and chest wall motion was measured on the cine images using a proposed region-of-interest (ROI) method and compared to measurement of an external respiratory monitoring device. On eight lung patient data sets, the phase shifts were measured between (1) the signal of a real-time positioning-management (RPM) respiratory monitoring device placed in the abdominal region and four surface locations on the chest wall (2) the RPM signal in the abdominal region and tumor motions, and (3) chest wall surface motions and tumor motions. Respiratory waveforms measured at different surface locations during the same respiratory cycle often varied and had significant phase shifts. Seven of the 8 patients showed the abdominal motion leading chest wall motion. The best correlation (smallest phase shift) was found between the abdominal motion and the superior-inferior (S-I) tumor motion. A wide range of phase shifts was observed between external surface motion and tumor anterior-posterior (A-P)/lateral motion. The result supported the placement of the RPM block in the abdominal region and suggested that during a gated therapy utilizing the RPM system, it is necessary to place the RPM block at the same location as it is during treatment simulation in order to reduce potential errors introduced by the position of the RPM block. Correlations between external motions and lateral/A-P tumor motions were inconclusive due to a combination of patient selection and the limitation of the ROI

  12. Molecular dynamics simulation of nonlinear spectroscopies of intermolecular motions in liquid water.

    Science.gov (United States)

    Yagasaki, Takuma; Saito, Shinji

    2009-09-15

    Water is the most extensively studied of liquids because of both its ubiquity and its anomalous thermodynamic and dynamic properties. The properties of water are dominated by hydrogen bonds and hydrogen bond network rearrangements. Fundamental information on the dynamics of liquid water has been provided by linear infrared (IR), Raman, and neutron-scattering experiments; molecular dynamics simulations have also provided insights. Recently developed higher-order nonlinear spectroscopies open new windows into the study of the hydrogen bond dynamics of liquid water. For example, the vibrational lifetimes of stretches and a bend, intramolecular features of water dynamics, can be accurately measured and are found to be on the femtosecond time scale at room temperature. Higher-order nonlinear spectroscopy is expressed by a multitime correlation function, whereas traditional linear spectroscopy is given by a one-time correlation function. Thus, nonlinear spectroscopy yields more detailed information on the dynamics of condensed media than linear spectroscopy. In this Account, we describe the theoretical background and methods for calculating higher order nonlinear spectroscopy; equilibrium and nonequilibrium molecular dynamics simulations, and a combination of both, are used. We also present the intermolecular dynamics of liquid water revealed by fifth-order two-dimensional (2D) Raman spectroscopy and third-order IR spectroscopy. 2D Raman spectroscopy is sensitive to couplings between modes; the calculated 2D Raman signal of liquid water shows large anharmonicity in the translational motion and strong coupling between the translational and librational motions. Third-order IR spectroscopy makes it possible to examine the time-dependent couplings. The 2D IR spectra and three-pulse photon echo peak shift show the fast frequency modulation of the librational motion. A significant effect of the translational motion on the fast frequency modulation of the librational motion is

  13. On the relative motions of long-lived Pacific mantle plumes.

    Science.gov (United States)

    Konrad, Kevin; Koppers, Anthony A P; Steinberger, Bernhard; Finlayson, Valerie A; Konter, Jasper G; Jackson, Matthew G

    2018-02-27

    Mantle plumes upwelling beneath moving tectonic plates generate age-progressive chains of volcanos (hotspot chains) used to reconstruct plate motion. However, these hotspots appear to move relative to each other, implying that plumes are not laterally fixed. The lack of age constraints on long-lived, coeval hotspot chains hinders attempts to reconstruct plate motion and quantify relative plume motions. Here we provide 40 Ar/ 39 Ar ages for a newly identified long-lived mantle plume, which formed the Rurutu hotspot chain. By comparing the inter-hotspot distances between three Pacific hotspots, we show that Hawaii is unique in its strong, rapid southward motion from 60 to 50 Myrs ago, consistent with paleomagnetic observations. Conversely, the Rurutu and Louisville chains show little motion. Current geodynamic plume motion models can reproduce the first-order motions for these plumes, but only when each plume is rooted in the lowermost mantle.

  14. Social network size relates to developmental neural sensitivity to biological motion

    Directory of Open Access Journals (Sweden)

    L.A. Kirby

    2018-04-01

    Full Text Available The ability to perceive others’ actions and goals from human motion (i.e., biological motion perception is a critical component of social perception and may be linked to the development of real-world social relationships. Adult research demonstrates two key nodes of the brain’s biological motion perception system—amygdala and posterior superior temporal sulcus (pSTS—are linked to variability in social network properties. The relation between social perception and social network properties, however, has not yet been investigated in middle childhood—a time when individual differences in social experiences and social perception are growing. The aims of this study were to (1 replicate past work showing amygdala and pSTS sensitivity to biological motion in middle childhood; (2 examine age-related changes in the neural sensitivity for biological motion, and (3 determine whether neural sensitivity for biological motion relates to social network characteristics in children. Consistent with past work, we demonstrate a significant relation between social network size and neural sensitivity for biological motion in left pSTS, but do not find age-related change in biological motion perception. This finding offers evidence for the interplay between real-world social experiences and functional brain development and has important implications for understanding disorders of atypical social experience. Keywords: Biological motion, Social networks, Middle childhood, Neural specialization, Brain-behavior relations, pSTS

  15. Effects on ground motion related to spatial variability

    International Nuclear Information System (INIS)

    Vanmarcke, E.H.

    1987-01-01

    Models of the spectral content and the space-time correlation structure of strong earthquake ground motion are combined with transient random vibration analysis to yield site-specific response spectra that can account for the effect of local spatial averaging of the ground motion across a rigid foundation of prescribed size. The methodology is presented with reference to sites in eastern North America, although the basic approach is applicable to other seismic regions provided the source and attenuation parameters are regionally adjusted. Parameters in the spatial correlation model are based on data from the SMART-I accelerograph array, and the sensitivity of response spectra reduction factors with respect to these parameters is examined. The starting point of the analysis is the Fourier amplitude spectrum of site displacement expresses as a function of earthquake source parameters and source-to-site distance. The bedrock acceleration spectral density function at a point, derived from the displacement spectrum, is modified to account for anelastic attenuation, and where appropriate, for local soil effects and/or local spatial averaging across a foundation. Transient random vibration analysis yields approximate analytical expressions for median ground motion amplitudes and median response spectra of an earthquake defined in terms of its spectral density function and strong motion duration. The methodology is illustrated for three events characterized by their m b magnitude and epicentral distance. The focus in this paper is on the stochastic response prediction methodology enabling explicit accounting for strong motion duration and the effect of local spatial averaging on response spectra. The numerical examples enable a preliminary assessment of the reduction of response spectral amplitudes attributable to local spatial averaging across rigid foundations of different sizes. 36 refs

  16. Effects of deformability and thermal motion of lipid membrane on electroporation: By molecular dynamics simulations

    KAUST Repository

    Sun, Sheng

    2011-01-01

    Effects of mechanical properties and thermal motion of POPE lipid membrane on electroporation were studied by molecular dynamics simulations. Among simulations in which specific atoms of lipids were artificially constrained at their equilibrium positions using a spring with force constant of 2.0kcal/(molÅ2) in the external electric field of 1.4kcal/(molÅe), only constraint on lateral motions of lipid tails prohibited electroporation while non-tail parts had little effects. When force constant decreased to 0.2kcal/(molÅ2) in the position constraints on lipid tails in the external electric field of 2.0kcal/(molÅe), water molecules began to enter the membrane. Position constraints of lipid tails allow water to penetrate from both sides of membrane. Thermal motion of lipids can induce initial defects in the hydrophobic core of membrane, which are favorable nucleation sites for electroporation. Simulations at different temperatures revealed that as the temperature increases, the time taken to the initial pore formation will decrease. © 2010 Elsevier Inc.

  17. Stochastic calculus for fractional Brownian motion and related processes

    CERN Document Server

    Mishura, Yuliya S

    2008-01-01

    The theory of fractional Brownian motion and other long-memory processes are addressed in this volume. Interesting topics for PhD students and specialists in probability theory, stochastic analysis and financial mathematics demonstrate the modern level of this field. Among these are results about Levy characterization of fractional Brownian motion, maximal moment inequalities for Wiener integrals including the values 0

  18. Geometric Relations for CYLEX Test Tube-Wall Motion

    Science.gov (United States)

    Hill, Larry

    2015-06-01

    The CYLinder EXpansion (CYLEX) test is a (precision, instrumented, high-purity annealed copper) pipe bomb. Its essential measured quantities are detonation speed and tube-wall motion. Its main purpose is to calibrate detonation product equations of state (EOS) by measuring how product fluid pushes metal. In its full complexity, CYLEX is an integral test, for which EOS calibration requires the entire system to be computationally modeled and compared to salient data. Stripped to its essence, CYLEX is a non-integral test for which one may perform the inverse problem, to infer the EOS directly from data. CYLEX analysis can be simplified by the fact that the test constituents achieve a steady traveling wave structure; this allows derivation of several useful geometric relationships regarding tube wall motion. The first such treatment was by G.I. Taylor. Although his analysis was limited to small wall deflection angles, he asserted that the results remain valid for arbitrary ones. I confirm this attribute and present additional useful relationships. In the past decade, CYLEX wall-motion instrumentation has migrated almost entirely from streak camera to PDV, yet discrepancies remain between the two methods. I further present geometric relationships that shed light on this issue. Work supported by the U.S. DOE.

  19. Three-dimensional analysis of relationship between relative orientation and motion modes

    Directory of Open Access Journals (Sweden)

    Fan Shijie

    2014-12-01

    Full Text Available Target motion modes have a close relationship with the relative orientation of missile-to-target in three-dimensional highly maneuvering target interception. From the perspective of relationship between the sensor coordinate system and the target body coordinate system, a basic model of sensor is stated and the definition of relative angular velocity between the two coordinate systems is introduced firstly. Then, the three-dimensional analytic expressions of relative angular velocity for different motion modes are derived and simplified by analyzing the influences of target centroid motion, rotation around centroid and relative motion. Finally, the relationships of the relative angular velocity directions and values with motion modes are discussed. Simulation results validate the rationality of the theoretical analysis. It is demonstrated that there are significant differences of the relative orientation in different motion modes which include luxuriant information about motion modes. The conclusions are significant for the research of motion mode identification, maneuver detection, maneuvering target tracking and interception using target signatures.

  20. Derivatization and diffusive motion of molecular fullerenes: Ab initio and atomistic simulations

    Energy Technology Data Exchange (ETDEWEB)

    Berdiyorov, G., E-mail: gberdiyorov@qf.org.qa; Tabet, N. [Qatar Environment and Energy Research Institute (QEERI), Hamad Ben Khalifa University (HBKU), Qatar Foundation, P.O. Box 5825, Doha (Qatar); Harrabi, K. [Department of Physics, King Fahd University of Petroleum and Minerals, 31261 Dhahran (Saudi Arabia); Mehmood, U.; Hussein, I. A. [Department of Chemical Engineering, King Fahd University of Petroleum and Minerals, 31261 Dharan (Saudi Arabia); Peeters, F. M. [Departement Fysica, Universiteit Antwerpen, Groenenborgerlaan 171, B-2020 Antwerpen (Belgium); Zhang, J. [Department of Materials and London Centre for Nanotechnology, Imperial College London, SW7 2AZ London (United Kingdom); McLachlan, M. A. [Department of Materials and Centre for Plastic Electronics, Imperial College London, SW7 2AZ London (United Kingdom)

    2015-07-14

    Using first principles density functional theory in combination with the nonequilibrium Green's function formalism, we study the effect of derivatization on the electronic and transport properties of C{sub 60} fullerene. As a typical example, we consider [6,6]-phenyl-C{sub 61}-butyric acid methyl ester (PCBM), which forms one of the most efficient organic photovoltaic materials in combination with electron donating polymers. Extra peaks are observed in the density of states (DOS) due to the formation of new electronic states localized at/near the attached molecule. Despite such peculiar behavior in the DOS of an isolated molecule, derivatization does not have a pronounced effect on the electronic transport properties of the fullerene molecular junctions. Both C{sub 60} and PCBM show the same response to finite voltage biasing with new features in the transmission spectrum due to voltage induced delocalization of some electronic states. We also study the diffusive motion of molecular fullerenes in ethanol solvent and inside poly(3-hexylthiophene) lamella using reactive molecular dynamics simulations. We found that the mobility of the fullerene reduces considerably due to derivatization; the diffusion coefficient of C{sub 60} is an order of magnitude larger than the one for PCBM.

  1. Effects of general relativity in the motion of minor planets and comets

    International Nuclear Information System (INIS)

    Sitarski, G.

    1983-01-01

    Basing on the solution of one-body Schwarzschild problem, the relativistic terms were included to the equations of motion of a minor planet or comet. It appeared that the using of Painleve's coordinates allowed to write the equations of motion in a very simple form. Equations of motion as well as the commonly used equations based on the Schwarzschild isotropic and nonisotropic line elements were numerically integrated by the recurrent power series method. The results of integration of the motion of Mercury and of the minor planet Icarus show strictly the perihelion motion predicted by the general relativity theory. The relativistic effects in the motion of some minor planets and comets were examined too. (author)

  2. Lorentz Contraction, Bell's Spaceships and Rigid Body Motion in Special Relativity

    Science.gov (United States)

    Franklin, Jerrold

    2010-01-01

    The meaning of Lorentz contraction in special relativity and its connection with Bell's spaceships parable is discussed. The motion of Bell's spaceships is then compared with the accelerated motion of a rigid body. We have tried to write this in a simple form that could be used to correct students' misconceptions due to conflicting earlier…

  3. Lorentz contraction, Bell's spaceships and rigid body motion in special relativity

    International Nuclear Information System (INIS)

    Franklin, Jerrold

    2010-01-01

    The meaning of Lorentz contraction in special relativity and its connection with Bell's spaceships parable is discussed. The motion of Bell's spaceships is then compared with the accelerated motion of a rigid body. We have tried to write this in a simple form that could be used to correct students' misconceptions due to conflicting earlier treatments.

  4. Relative Proper Motions in the Rho Ophiuchi Cluster

    Science.gov (United States)

    2016-01-06

    identified as YSOs and may be newly identified cluster members. Key words: ISM: individual objects (Rho Ophiuchi cloud) – stars: formation – stars: pre-main...sequence 1. INTRODUCTION The majority of stars in the Galaxy form in clusters that once the binding mass of the molecular gas is removed, disperse into

  5. Imaging Molecular Motion: Femtosecond X-Ray Scattering of an Electrocyclic Chemical Reaction

    Science.gov (United States)

    Minitti, M. P.; Budarz, J. M.; Kirrander, A.; Robinson, J. S.; Ratner, D.; Lane, T. J.; Zhu, D.; Glownia, J. M.; Kozina, M.; Lemke, H. T.; Sikorski, M.; Feng, Y.; Nelson, S.; Saita, K.; Stankus, B.; Northey, T.; Hastings, J. B.; Weber, P. M.

    2015-06-01

    Structural rearrangements within single molecules occur on ultrafast time scales. Many aspects of molecular dynamics, such as the energy flow through excited states, have been studied using spectroscopic techniques, yet the goal to watch molecules evolve their geometrical structure in real time remains challenging. By mapping nuclear motions using femtosecond x-ray pulses, we have created real-space representations of the evolving dynamics during a well-known chemical reaction and show a series of time-sorted structural snapshots produced by ultrafast time-resolved hard x-ray scattering. A computational analysis optimally matches the series of scattering patterns produced by the x rays to a multitude of potential reaction paths. In so doing, we have made a critical step toward the goal of viewing chemical reactions on femtosecond time scales, opening a new direction in studies of ultrafast chemical reactions in the gas phase.

  6. Molecular dynamics test of the Brownian description of Na+ motion in water

    International Nuclear Information System (INIS)

    Wilson, M.A.; Pohorille, A.; Pratt, L.R.

    1985-01-01

    The autocorrelation function of the velocity of an infinitely dilute Na + ion in aqueous solution, and the autocorrelation function of the force exerted on a stationary Na + under the same conditions are evaluated by molecular dynamics calculations. The results are used to test the accuracy of Brownian motion assumptions which are basic to hydrodynamic models of ion dynamics in solution. The self-diffusion coefficient of the Na + ion predicted by Brownian motion theory is (0.65 +- 0.1) x 10 -5 cm 2 /s. This value is about 60% greater than the one obtained for the proper dynamics of the finite mass ion, (0.4 +- 0.1) x 10 -5 cm 2 /s. The numerically correct velocity autocorrelation function is nonexponential, and the autocorrelation of the force on the stationary ion does not decay faster than the ion velocity autocorrelation function. Motivated by previous hydrodynamic modeling of friction kernels, we examine the approximation in which the memory function for the velocity autocorrelation function is identified with the autocorrelation function of the force on the stationary ion. The overall agreement between this approximation for the velocity autocorrelation function and the numerically correct answer is quite good

  7. MILKY WAY STAR-FORMING COMPLEXES AND THE TURBULENT MOTION OF THE GALAXY'S MOLECULAR GAS

    International Nuclear Information System (INIS)

    Lee, Eve J.; Rahman, Mubdi; Murray, Norman

    2012-01-01

    We analyze Spitzer GLIMPSE, Midcourse Space Experiment (MSX), and Wilkinson Microwave Anisotropy Probe (WMAP) images of the Milky Way to identify 8 μm and free-free sources in the Galaxy. Seventy-two of the 88 WMAP sources have coverage in the GLIMPSE and MSX surveys suitable for identifying massive star-forming complexes (SFCs). We measure the ionizing luminosity functions of the SFCs and study their role in the turbulent motion of the Galaxy's molecular gas. We find a total Galactic free-free flux f ν = 46,177.6 Jy; the 72 WMAP sources with full 8 μm coverage account for 34,263.5 Jy (∼75%), with both measurements made at ν = 94 GHz (W band). We find a total of 280 SFCs, of which 168 have unique kinematic distances and free-free luminosities. We use a simple model for the radial distribution of star formation to estimate the free-free and ionizing luminosity for the sources lacking distance determinations. The total dust-corrected ionizing luminosity is Q = (2.9 ± 0.5) × 10 53 photons s –1 , which implies a Galactic star formation rate of M-dot * = 1.2±0.2 M ☉ yr -1 . We present the (ionizing) luminosity function of the SFCs and show that 24 sources emit half the ionizing luminosity of the Galaxy. The SFCs appear as bubbles in GLIMPSE or MSX images; the radial velocities associated with the bubble walls allow us to infer the expansion velocity of the bubbles. We calculate the kinetic luminosity of the bubble expansion and compare it to the turbulent luminosity of the inner molecular disk. SFCs emitting 80% of the total Galactic free-free luminosity produce a kinetic luminosity equal to 65% of the turbulent luminosity in the inner molecular disk. This suggests that the expansion of the bubbles is a major driver of the turbulent motion of the inner Milky Way molecular gas.

  8. 2001 Bhuj, India, earthquake engineering seismoscope recordings and Eastern North America ground-motion attenuation relations

    Science.gov (United States)

    Cramer, C.H.; Kumar, A.

    2003-01-01

    Engineering seismoscope data collected at distances less than 300 km for the M 7.7 Bhuj, India, mainshock are compatible with ground-motion attenuation in eastern North America (ENA). The mainshock ground-motion data have been corrected to a common geological site condition using the factors of Joyner and Boore (2000) and a classification scheme of Quaternary or Tertiary sediments or rock. We then compare these data to ENA ground-motion attenuation relations. Despite uncertainties in recording method, geological site corrections, common tectonic setting, and the amount of regional seismic attenuation, the corrected Bhuj dataset agrees with the collective predictions by ENA ground-motion attenuation relations within a factor of 2. This level of agreement is within the dataset uncertainties and the normal variance for recorded earthquake ground motions.

  9. Measures and Relative Motions of Some Mostly F. G. W. Struve Doubles

    Science.gov (United States)

    Wiley, E. O.

    2012-04-01

    Measures of 59 pairs of double stars with long observational histories using "lucky imaging" techniques are reported. Relative motions of 59 pairs are investigated using histories of observation, scatter plots of relative motion, ordinary least-squares (OLS) and total proper motion analyses performed in "R," an open source programming language. A scatter plot of the coefficient of determinations derived from the OLS y|epoch and OLS x|epoch clearly separates common proper motion pairs from optical pairs and what are termed "long-period binary candidates." Differences in proper motion separate optical pairs from long-term binary candidates. An Appendix is provided that details how to use known rectilinear pairs as calibration pairs for the program REDUC.

  10. Molecular dynamics simulations for the motion of evaporative droplets driven by thermal gradients along nanochannels

    KAUST Repository

    Wu, Congmin

    2013-04-04

    For a one-component fluid on a solid substrate, a thermal singularity may occur at the contact line where the liquid-vapor interface intersects the solid surface. Physically, the liquid-vapor interface is almost isothermal at the liquid-vapor coexistence temperature in one-component fluids while the solid surface is almost isothermal for solids of high thermal conductivity. Therefore, a temperature discontinuity is formed if the two isothermal interfaces are of different temperatures and intersect at the contact line. This leads to the so-called thermal singularity. The localized hydrodynamics involving evaporation/condensation near the contact line leads to a contact angle depending on the underlying substrate temperature. This dependence has been shown to lead to the motion of liquid droplets on solid substrates with thermal gradients (Xu and Qian 2012 Phys. Rev. E 85 061603). In the present work, we carry out molecular dynamics (MD) simulations as numerical experiments to further confirm the predictions made from our previous continuum hydrodynamic modeling and simulations, which are actually semi-quantitatively accurate down to the small length scales in the problem. Using MD simulations, we investigate the motion of evaporative droplets in one-component Lennard-Jones fluids confined in nanochannels with thermal gradients. The droplet is found to migrate in the direction of decreasing temperature of solid walls, with a migration velocity linearly proportional to the temperature gradient. This agrees with the prediction of our continuum model. We then measure the effect of droplet size on the droplet motion. It is found that the droplet mobility is inversely proportional to a dimensionless coefficient associated with the total rate of dissipation due to droplet movement. Our results show that this coefficient is of order unity and increases with the droplet size for the small droplets (∼10 nm) simulated in the present work. These findings are in semi

  11. New developments in neutron scattering for the study of molecular systems: structure and diffusive motions

    International Nuclear Information System (INIS)

    Volino, F.

    1976-01-01

    After a short review of the main concepts concerning the neutron and its interaction with matter, the authors focus their attention on the study of molecular systems by means of neutron scattering. Instead of reviewing the subject yet again, they limit themselves to the new kind of work which can be done now, with the combined help of high flux reactors and novel instruments. As examples, a few experiments performed at the Institut Laue-Langevin in Grenoble are described: a neutron diffraction study of liquid acetonitrile using a powder diffractometer installed at the hot source; three high-resolution quasi-elastic studies of molecular motions - in an organic solid, (PAA), an organic liquid (C 3 H 6 ) and a liquid crystal (TBBA) - made by combining measurements with high and ultra-high energy resolution spectrometers installed at the cold source. The concept of elastic incoherent structure factor (EISF) is extensively used for the analysis. Finally some prospects on possible future developments are presented. (orig./HK) [de

  12. The Southern Double Stars of Carl Rümker II: Their Relative Rectilinear Motion

    Science.gov (United States)

    Letchford, Roderick; White, Graeme; Ernest, Allan

    2018-04-01

    A description of the relative rectilinear motion of double stars provides an important clue to the relationship of the components. The aim is to provide an objective method of obtaining Rectilinear Elements. We present a simplified method to calculate relative rectilinear motion, relying on the data obtained from the HIPPARCOS and GAIA DR1 missions, together with their uncertainties. As examples, we present the Rectilinear Elements of RMK 1, 3, 4, 5, 6, 8, 10, 11, 12, 17, 20, 25, 27, and 28.

  13. Nuclear magnetic resonance in solids: evolution of spin temperature under multipulse irradiation and high symmetry molecular motions

    International Nuclear Information System (INIS)

    Quiroga, Luis

    1982-01-01

    In a first part, autocorrelation functions are calculated taking into account the symmetry of molecular motions by group theoretical techniques. This very general calculation method is then used to evaluate the NMR spin-lattice relaxation times T 1 and T 1 p as a function of the relative orientations of the magnetic field, the crystal and the rotation axis, in particular for cyclic, dihedral and cubic groups. Models of molecular reorientations such as jumps between a finite number of allowed orientations, rotational diffusion and superimposed reorientations are all investigated with the same formalism. In part two, the effect of the coherent excitation of spins, by multipulse sequences of the WHH-4 type, on the evolution of the heat capacity and spin temperature of the dipolar reservoir is analysed. It is shown both theoretically and experimentally that adiabatic (reversible) reduction of the dipolar Hamiltonian and its spin temperature is obtained when the amplitude of pulses (rotation angle) is slowly raised. The sudden switching on and off of the HW-8 sequence is then shown to lead to the same reversible reduction in a shorter time. It is also shown that, by this way, sensibility and selectivity of double resonance measurements of weak gyromagnetic ratio nuclei are strongly increased. This is experimentally illustrated in some cases. (author) [fr

  14. Visual event-related potentials to biological motion stimuli in autism spectrum disorders

    Science.gov (United States)

    Bletsch, Anke; Krick, Christoph; Siniatchkin, Michael; Jarczok, Tomasz A.; Freitag, Christine M.; Bender, Stephan

    2014-01-01

    Atypical visual processing of biological motion contributes to social impairments in autism spectrum disorders (ASD). However, the exact temporal sequence of deficits of cortical biological motion processing in ASD has not been studied to date. We used 64-channel electroencephalography to study event-related potentials associated with human motion perception in 17 children and adolescents with ASD and 21 typical controls. A spatio-temporal source analysis was performed to assess the brain structures involved in these processes. We expected altered activity already during early stimulus processing and reduced activity during subsequent biological motion specific processes in ASD. In response to both, random and biological motion, the P100 amplitude was decreased suggesting unspecific deficits in visual processing, and the occipito-temporal N200 showed atypical lateralization in ASD suggesting altered hemispheric specialization. A slow positive deflection after 400 ms, reflecting top-down processes, and human motion-specific dipole activation differed slightly between groups, with reduced and more diffuse activation in the ASD-group. The latter could be an indicator of a disrupted neuronal network for biological motion processing in ADS. Furthermore, early visual processing (P100) seems to be correlated to biological motion-specific activation. This emphasizes the relevance of early sensory processing for higher order processing deficits in ASD. PMID:23887808

  15. Brownian motion, Minkowski space and principle of special relativity

    International Nuclear Information System (INIS)

    Caubet, J.-P.

    1977-01-01

    From the assumption that the brownian diffusion locally behaves like an ideal gas (pressure being inversely proportional to volume according to Boyle's law) one can deduce the signature +++- of the Minkowski space, the Lorentz addition of velocities, and the principle of special relativity [fr

  16. A comment on spiral motions in projective relativity

    International Nuclear Information System (INIS)

    Muzzio, J.C.; Lousto, C.O.; Instituto de Astronomia y Fisica del Espacio de la Republica Argentina)

    1985-01-01

    Astronomical evidence has been inadequately invoked to support projective relativity. The spiral structure cannot be explained just by the existence of spiral orbits, and the use of Oort's constant to support the theory is also a misunderstanding. Besides, some mathematical inaccuracies make the application invalid. (author)

  17. Molecular resonances in 28SI + 28Si - Wobbling motions observed by angular correlation measurements

    International Nuclear Information System (INIS)

    Uegaki, E.; Abe, Y.

    2014-01-01

    High-spin resonances observed in 28 Si+ 28 Si collisions are studied with a dinuclear molecular model. At high spins, a stable dinuclear configuration of the oblate-oblate system ( 28 Si+ 28 Si) is found to be an equator-equator (E-E) touching one. Normal modes have been investigated around the equilibrium, which are expected to be an origin of a large number of the resonances observed. Analyses of physical quantities are made and compared with the recent experimental data measured at Strasbourg. Since the E-E configuration is slightly triaxial, rotations of the total system induce mixing of K quantum numbers, called wobbling motion, which clearly explains the particle-γ angular correlations observed as well as the misalignments observed in the angular distributions, in a simple and natural way. Furthermore, predictions are given for the angular correlations of the wobbling excited states. The importance of the angular correlation measurements is stressed, which provide identification of the dinuclear configurations by spin orientations of the constituent nuclei 28 Si. (authors)

  18. Motion, inertia and special relativity-a novel perspective

    International Nuclear Information System (INIS)

    Masreliez, C Johan

    2007-01-01

    A recent paper by the author proposes that the phenomenon of inertia may be explained if the four metrical coefficients in the Minkowskian line element were to change as a consequence of acceleration. A certain scale factor multiplying the four metrical coefficients was found, which depends solely on velocity. This dynamic scale factor, which is [1-(v/c) 2 )], models inertia as a gravitational-type phenomenon. With this metric the geodesic of general relativity is an identity, and all accelerating trajectories are geodesics. This paper shows that the same scale factor also agrees with special relativity, but offers a new perspective. A new kind of dynamic process involving four-dimensional scale transition is proposed

  19. Convex optimisation approach to constrained fuel optimal control of spacecraft in close relative motion

    Science.gov (United States)

    Massioni, Paolo; Massari, Mauro

    2018-05-01

    This paper describes an interesting and powerful approach to the constrained fuel-optimal control of spacecraft in close relative motion. The proposed approach is well suited for problems under linear dynamic equations, therefore perfectly fitting to the case of spacecraft flying in close relative motion. If the solution of the optimisation is approximated as a polynomial with respect to the time variable, then the problem can be approached with a technique developed in the control engineering community, known as "Sum Of Squares" (SOS), and the constraints can be reduced to bounds on the polynomials. Such a technique allows rewriting polynomial bounding problems in the form of convex optimisation problems, at the cost of a certain amount of conservatism. The principles of the techniques are explained and some application related to spacecraft flying in close relative motion are shown.

  20. An EPR investigation of room temperature radiation damage and molecular motion in the ferroelectric phosphates

    International Nuclear Information System (INIS)

    Dalal, N.S.; Herak, J.N.; McDowell, C.A.

    1976-01-01

    Several types of paramagnetic centers have been detected in the room temperature irradiated KH 2 PO 4 , KD 2 PO 4 , KH 2 PO 4 -KH 2 AsO 4 , KD 2 PO 4 -KD 2 AsO 4 and in the newly discovered ferroelectric NaTh 2 (PO 4 ) 3 . Comparative studies of temperature dependence in the EPR spectra show that as in KH 2 PO 4 -type crystals, the ferroelectric phase transition in NaTh 2 (PO 4 ) 3 crystals also seems to be related to the motion of the PO 4 units. The results help to clarify some earlier observed anomalies on the effects of γ-irradiation on dielectric properties of KH 2 PO 4 and in particular, show that the extent of the damage can be controlled by changing the impurity content of the unirradiated samples. (Auth.)

  1. Molecular dynamics simulations of protein-tyrosine phosphatase 1B. I. Ligand-induced changes in the protein motions

    DEFF Research Database (Denmark)

    Peters, Günther H. J.; Frimurer, T.M.; Andersen, J.N.

    1999-01-01

    Activity of enzymes, such as protein tyrosine phosphatases (PTPs), is often associated with structural changes in the enzyme, resulting in selective and stereospecific reactions with the substrate. To investigate the effect of a substrate on the motions occurring in PTPs, we have performed...... molecular dynamics simulations of PTP1B and PTP1B complexed with a high-affinity peptide DADEpYL, where pY stands for phosphorylated tyrosine. The peptide sequence is derived from the epidermal growth factor receptor (EGFR(988-993)). Simulations were performed in water for 1 ns, and the concerted motions...... in the protein were analyzed using the essential dynamics technique. Our results indicate that the predominately internal motions in PTP1B occur in a subspace of only a few degrees of freedom. Upon substrate binding, the flexibility of the protein is reduced by similar to 10%. The largest effect is found...

  2. Atomic motions in the αβ-region of glass-forming polymers: molecular versus mode coupling theory approach

    International Nuclear Information System (INIS)

    Colmenero, Juan; Narros, Arturo; Alvarez, Fernando; Arbe, Arantxa; Moreno, Angel J

    2007-01-01

    We present fully atomistic molecular dynamics simulation results on a main-chain polymer, 1,4-polybutadiene, in the merging region of the α- and β-relaxations. A real-space analysis reveals the occurrence of localized motions ('β-like') in addition to the diffusive structural relaxation. A molecular approach provides a direct connection between the local conformational changes reflected in the atomic motions and the secondary relaxations in this polymer. Such local processes occur just in the time window where the β-process of the mode coupling theory is expected. We show that the application of this theory is still possible and yields an unusually large value of the exponent parameter. This result might originate from the competition between two mechanisms for dynamic arrest: intermolecular packing and intramolecular barriers for local conformational changes ('β-like')

  3. A review of some basic aspects related to integration of airplane’s equations of motion

    Directory of Open Access Journals (Sweden)

    Dan TURCANU

    2017-09-01

    Full Text Available Numerical integration of the airplane’s equations of motion has long been considered among the most fundamental calculations in airplane’s analysis. Numerical algorithms have been implemented and experimentally validated. However, the need for superior speed and accuracy is still very topical, as, nowadays, various optimization algorithms rely heavily on data generated from the integration of the equations of motion and having access to larger amounts of data can increase the quality of the optimization. Now, for a number of decades, engineers have relied heavily on commercial codes based on automatically selected integration steps. However, optimally chosen constant integration steps can save time and allows for larger numbers of integrations to be performed. Yet, the basic papers that presented the fundamentals of numerical integration, as applied to airplane’s equations of motion are nowadays not easy to locate. Consequently, this paper presents a review of basic aspects related to the integration of airplane’s equation of motion. The discussion covers fundamentals of longitudinal and lateral-directional motion as well as the implementation of some numerical integration methods. The relation between numerical integration steps, accuracy, computational resource usage, numerical stability and their relation with the parameters describing the dynamic response of the airplane is considered and suggestions are presented for a faster yet accurate numerical integration.

  4. Dynamical heterogeneities of rotational motion in room temperature ionic liquids evidenced by molecular dynamics simulations

    Science.gov (United States)

    Usui, Kota; Hunger, Johannes; Bonn, Mischa; Sulpizi, Marialore

    2018-05-01

    Room temperature ionic liquids (RTILs) have been shown to exhibit spatial heterogeneity or structural heterogeneity in the sense that they form hydrophobic and ionic domains. Yet studies of the relationship between this structural heterogeneity and the ˜picosecond motion of the molecular constituents remain limited. In order to obtain insight into the time scales relevant to this structural heterogeneity, we perform molecular dynamics simulations of a series of RTILs. To investigate the relationship between the structures, i.e., the presence of hydrophobic and ionic domains, and the dynamics, we gradually increase the size of the hydrophobic part of the cation from ethylammonium nitrate (EAN), via propylammonium nitrate (PAN), to butylammonium nitrate (BAN). The two ends of the organic cation, namely, the charged Nhead-H group and the hydrophobic Ctail-H group, exhibit rotational dynamics on different time scales, evidencing dynamical heterogeneity. The dynamics of the Nhead-H group is slower because of the strong coulombic interaction with the nitrate counter-ionic anions, while the dynamics of the Ctail-H group is faster because of the weaker van der Waals interaction with the surrounding atoms. In particular, the rotation of the Nhead-H group slows down with increasing cationic chain length, while the rotation of the Ctail-H group shows little dependence on the cationic chain length, manifesting that the dynamical heterogeneity is enhanced with a longer cationic chain. The slowdown of the Nhead-H group with increasing cationic chain length is associated with a lower number of nitrate anions near the Nhead-H group, which presumably results in the increase of the energy barrier for the rotation. The sensitivity of the Nhead-H rotation to the number of surrounding nitrate anions, in conjunction with the varying number of nitrate anions, gives rise to a broad distribution of Nhead-H reorientation times. Our results suggest that the asymmetry of the cations and the

  5. Molecular motions of non-crystalline poly(aryl ether-ether-ketone) PEEK and influence of electron beam irradiation

    International Nuclear Information System (INIS)

    Sasuga, T.; Hagiwara, M.

    1985-01-01

    The dynamic mechanical relaxation of non-crystalline poly(aryl ether-ether-ketone) PEEK and the one irradiated with electron beam were studied. The three distinct γ, β, α' relaxation maxima were observed in unirradiated PEEK from low to high temperature. It was revealed from the study on the irradiation effects that three different molecular processes are overlapped in γ relaxation peak, i.e., molecular motion of water bound to main chain, local motion of main chain, and local mode of the aligned and/or oriented moiety. The β relaxation connected with the glass transition occurred at 150 deg C and it shifted to higher temperature by irradiation. The α' relaxation which can be attributed to rearrangement of molecular chain due to crystallization was observed in unirradiated PEEK approx. 180 deg C and its magnitude decreased with the increase in irradiation dose. This effect indicates the formation of structures inhibiting crystallization such as crosslinking and/or short branching during irradiation. A new relaxation, β', appeared in the temperature range of 40 deg to 100 deg C by irradiation and its magnitude increased with dose. This relaxation was attributed to rearrangement of molecular chain from loosened packing around chain ends, which were introduced into the non-crystalline region by chain scission under irradiation, to more rigid molecular packing. (author)

  6. Parkinson-Related Changes of Activation in Visuomotor Brain Regions during Perceived Forward Self-Motion

    NARCIS (Netherlands)

    van der Hoorn, Anouk; Renken, Remco J.; Leenders, Klaus L.; de Jong, Bauke M.

    2014-01-01

    Radial expanding optic flow is a visual consequence of forward locomotion. Presented on screen, it generates illusionary forward self-motion, pointing at a close vision-gait interrelation. As particularly parkinsonian gait is vulnerable to external stimuli, effects of optic flow on motor-related

  7. Predicted Attenuation Relation and Observed Ground Motion of Gorkha Nepal Earthquake of 25 April 2015

    Science.gov (United States)

    Singh, R. P.; Ahmad, R.

    2015-12-01

    A comparison of recent observed ground motion parameters of recent Gorkha Nepal earthquake of 25 April 2015 (Mw 7.8) with the predicted ground motion parameters using exitsing attenuation relation of the Himalayan region will be presented. The recent earthquake took about 8000 lives and destroyed thousands of poor quality of buildings and the earthquake was felt by millions of people living in Nepal, China, India, Bangladesh, and Bhutan. The knowledge of ground parameters are very important in developing seismic code of seismic prone regions like Himalaya for better design of buildings. The ground parameters recorded in recent earthquake event and aftershocks are compared with attenuation relations for the Himalayan region, the predicted ground motion parameters show good correlation with the observed ground parameters. The results will be of great use to Civil engineers in updating existing building codes in the Himlayan and surrounding regions and also for the evaluation of seismic hazards. The results clearly show that the attenuation relation developed for the Himalayan region should be only used, other attenuation relations based on other regions fail to provide good estimate of observed ground motion parameters.

  8. The Relative Importance of Spatial Versus Temporal Structure in the Perception of Biological Motion: An Event-Related Potential Study

    Science.gov (United States)

    Hirai, Masahiro; Hiraki, Kazuo

    2006-01-01

    We investigated how the spatiotemporal structure of animations of biological motion (BM) affects brain activity. We measured event-related potentials (ERPs) during the perception of BM under four conditions: normal spatial and temporal structure; scrambled spatial and normal temporal structure; normal spatial and scrambled temporal structure; and…

  9. Special relativity of non-inertial motions: A complementary theory to Einstein's SR

    International Nuclear Information System (INIS)

    Mocanu, C.I.

    1999-01-01

    In order to describe physical reality a special (gravity-free) relativity is needed that is founded upon general non-uniform motions as they occur in our environment and hold for the non-inertial reference frame of our laboratory. Such a generalized form of special relativity can be build upon an extension, at relativistic velocities, of Maxwell-Hertz electrodynamics (MHE), which is valid for non-uniform motions, but at small velocities only. The new electromagnetic theory called (in honor to Hertz) Hertz's Relativistic Electrodynamics (HRE), is completely independent and built-up in a completely different way as regards Einstein's Special Relativity (ESR). HRE, a coordinate-free formulation does not need postulates, but confirms the constancy principle of speed of light in vacuum. All experiments of first and second order in v/c are correctly interpreted. To this theory a Hertzian kinematics and dynamics are associated. HRE with its corresponding mechanics forms Hertz's Special Relativity (HSR), as a complementary theory to ESR. According to the principle of complementarity and neglecting the gravitational effects, the Extended Special Relativity (ExSR) is a double faced theory which becomes either ESR, when the motion is inertial or HSR when the motion is non-inertial. The complementarity of both theories assumes that the two descriptions cannot be employed for the same motion, being mutually exclusive. Consequently, to every statement of one of the ExSR corresponds a complementary statement of the other ExSR. The completeness of ESR with HSR ensures an extended view over the relativity in our physical world. (author)

  10. Exploring the pedagogic relation - Supporting six-year-olds in making sense of physical motion

    OpenAIRE

    Annika Åkerblom

    2015-01-01

    This article explores how verbal relations between child and researcher may support the child’s reasoning and making sense of physical motion. In an earlier study, 64 children aged 6–14 participated in one-to-one reflective dialogues. Some of them developed their reasoning during the dialogue, and used an exploring approach to make sense of physical motion. For the present study, 6 transcripts were re-analyzed concerning the interplay between the researcher and the 6-year-olds who used this a...

  11. The accommodation of relative motion at depth on the San Andreas fault system in California

    Science.gov (United States)

    Prescott, W. H.; Nur, A.

    1981-01-01

    Plate motion below the seismogenic layer along the San Andreas fault system in California is assumed to form by aseismic slip along a deeper extension of the fault or may result from lateral distribution of deformation below the seismogenic layer. The shallow depth of California earthquakes, the depth of the coseismic slip during the 1906 San Francisco earthquake, and the presence of widely separated parallel faults indicate that relative motion is distributed below the seismogenic zone, occurring by inelastic flow rather than by aseismic slip on discrete fault planes.

  12. Lie symmetry and the generalized Hojman conserved quantity of Nielsen equations for a variable mass holonomic system of relative motion

    International Nuclear Information System (INIS)

    Zhang Mei-Ling; Wang Xiao-Xiao; Xie Yin-Li; Jia Li-Qun; Sun Xian-Ting

    2011-01-01

    Lie symmetry and the generalized Hojman conserved quantity of Nielsen equations for a variable mass holonomic system of relative motion are studied. The determining equation of Lie symmetry of Nielsen equations for a variable mass holonomic system of relative motion under the infinitesimal transformations of groups is given. The expression of generalized Hojman conserved quantity deduced directly from Lie symmetry for a variable mass holonomic system of relative motion is obtained. An example is given to illustrate the application of the results. (general)

  13. Absence of direction-specific cross-modal visual-auditory adaptation in motion-onset event-related potentials.

    Science.gov (United States)

    Grzeschik, Ramona; Lewald, Jörg; Verhey, Jesko L; Hoffmann, Michael B; Getzmann, Stephan

    2016-01-01

    Adaptation to visual or auditory motion affects within-modality motion processing as reflected by visual or auditory free-field motion-onset evoked potentials (VEPs, AEPs). Here, a visual-auditory motion adaptation paradigm was used to investigate the effect of visual motion adaptation on VEPs and AEPs to leftward motion-onset test stimuli. Effects of visual adaptation to (i) scattered light flashes, and motion in the (ii) same or in the (iii) opposite direction of the test stimulus were compared. For the motion-onset VEPs, i.e. the intra-modal adaptation conditions, direction-specific adaptation was observed--the change-N2 (cN2) and change-P2 (cP2) amplitudes were significantly smaller after motion adaptation in the same than in the opposite direction. For the motion-onset AEPs, i.e. the cross-modal adaptation condition, there was an effect of motion history only in the change-P1 (cP1), and this effect was not direction-specific--cP1 was smaller after scatter than after motion adaptation to either direction. No effects were found for later components of motion-onset AEPs. While the VEP results provided clear evidence for the existence of a direction-specific effect of motion adaptation within the visual modality, the AEP findings suggested merely a motion-related, but not a direction-specific effect. In conclusion, the adaptation of veridical auditory motion detectors by visual motion is not reflected by the AEPs of the present study. © 2015 Federation of European Neuroscience Societies and John Wiley & Sons Ltd.

  14. The Hubble law and the spiral structures of galaxies from equations of motion in general relativity

    International Nuclear Information System (INIS)

    Sachs, M.

    1975-01-01

    Fully exploiting the Lie group that characterizes the underlying symmetry of general relativity theory, Einstein's tensor formalism factorizes, yielding a generalized (16-component) quaternion field formalism. The associated generalized geodesic equation, taken as the equation of motion of a star, predicts the Hubble law from one approximation for the generally covariant equations of motion, and the spiral structure of galaxies from another approximation. These results depend on the imposition of appropriate boundary conditions. The Hubble law follows when the boundary conditions derive from the oscillating model cosmology, and not from the other cosmological models. The spiral structures of the galaxies follow from the same boundary conditions, but with a different time scale than for the whole universe. The solutions that imply the spiral motion are Fresnel integrals. These predict the star's motion to be along the 'Cornu Spiral'. The part of this spiral in the first quadrant is the imploding phase of the galaxy, corresponding to a motion with continually decreasing radii, approaching the galactic center as time increases. The part of the Cornu Spiral' in the third quadrant is the exploding phase, corresponding to continually increasing radii, as the star moves out from the hub. The spatial origin in the coordinate system of this curve is the inflection point, where the explosion changes to implosion. The two- (or many-) armed spiral galaxies are explained here in terms of two (or many) distinct explosions occurring at displaced times, in the domain of the rotating, planar galaxy. (author)

  15. Equations of motion in general relativity of a small charged black hole

    International Nuclear Information System (INIS)

    Futamase, T.; Hogan, P. A.; Itoh, Y.

    2008-01-01

    We present the details of a model in general relativity of a small charged black hole moving in an external gravitational and electromagnetic field. The importance of our model lies in the fact that we can derive the equations of motion of the black hole from the Einstein-Maxwell vacuum field equations without encountering infinities. The key assumptions which we base our results upon are that (a) the black hole is isolated and (b) near the black hole the wave fronts of the radiation generated by its motion are smoothly deformed spheres. The equations of motion which emerge fit the pattern of the original DeWitt and Brehme equations of motion (after they 'renormalize'). Our calculations are carried out in a coordinate system in which the null hypersurface histories of the wave fronts can be specified in a simple way, with the result that we obtain a new explicit form, particular to our model, for the well-known ''tail term'' in the equations of motion.

  16. Model-free methods of analyzing domain motions in proteins from simulation : A comparison of normal mode analysis and molecular dynamics simulation of lysozyme

    NARCIS (Netherlands)

    Hayward, S.; Kitao, A.; Berendsen, H.J.C.

    Model-free methods are introduced to determine quantities pertaining to protein domain motions from normal mode analyses and molecular dynamics simulations, For the normal mode analysis, the methods are based on the assumption that in low frequency modes, domain motions can be well approximated by

  17. Molecular diversity among seven Solanum (eggplant and relatives ...

    African Journals Online (AJOL)

    Admin

    2012-11-08

    Nov 8, 2012 ... Seven Solanum species (eggplants) were investigated for molecular diversity. Besides its ... Eggplant comprises three closely related cultivated species .... generated with SSR data was submitted to 2-way Mantel test (Man-.

  18. Technical note: validation of a motion analysis system for measuring the relative motion of the intermediate component of a tripolar total hip arthroplasty prosthesis.

    Science.gov (United States)

    Chen, Qingshan; Lazennec, Jean Yves; Guyen, Olivier; Kinbrum, Amy; Berry, Daniel J; An, Kai-Nan

    2005-07-01

    Tripolar total hip arthroplasty (THA) prosthesis had been suggested as a method to reduce the occurrence of hip dislocation and microseparation. Precisely measuring the motion of the intermediate component in vitro would provide fundamental knowledge for understanding its mechanism. The present study validates the accuracy and repeatability of a three-dimensional motion analysis system to quantitatively measure the relative motion of the intermediate component of tripolar total hip arthroplasty prostheses. Static and dynamic validations of the system were made by comparing the measurement to that of a potentiometer. Differences between the mean system-calculated angle and the angle measured by the potentiometer were within +/-1 degrees . The mean within-trial variability was less than 1 degrees . The mean slope was 0.9-1.02 for different angular velocities. The dynamic noise was within 1 degrees . The system was then applied to measure the relative motion of an eccentric THA prosthesis. The study shows that this motion analysis system provides an accurate and practical method for measuring the relative motion of the tripolar THA prosthesis in vitro, a necessary first step towards the understanding of its in vivo kinematics.

  19. The phenomenological version of modified Newtonian dynamics from the relativity principle of motion

    International Nuclear Information System (INIS)

    Giné, Jaume

    2012-01-01

    In this paper, we show that it is possible to deduce the first phenomenological version of modified Newtonian dynamics (MOND) proposed by Milgrom from the relativity principle of motion in connection with the observed accelerated expansion of the universe. A new form of μ(x) in the Milgrom formula for Newton's second law is obtained. Moreover, we establish the relation between MOND and the deceleration parameter. (paper)

  20. Parkinson-related changes of activation in visuomotor brain regions during perceived forward self-motion.

    Directory of Open Access Journals (Sweden)

    Anouk van der Hoorn

    Full Text Available Radial expanding optic flow is a visual consequence of forward locomotion. Presented on screen, it generates illusionary forward self-motion, pointing at a close vision-gait interrelation. As particularly parkinsonian gait is vulnerable to external stimuli, effects of optic flow on motor-related cerebral circuitry were explored with functional magnetic resonance imaging in healthy controls (HC and patients with Parkinson's disease (PD. Fifteen HC and 22 PD patients, of which 7 experienced freezing of gait (FOG, watched wide-field flow, interruptions by narrowing or deceleration and equivalent control conditions with static dots. Statistical parametric mapping revealed that wide-field flow interruption evoked activation of the (pre-supplementary motor area (SMA in HC, which was decreased in PD. During wide-field flow, dorsal occipito-parietal activations were reduced in PD relative to HC, with stronger functional connectivity between right visual motion area V5, pre-SMA and cerebellum (in PD without FOG. Non-specific 'changes' in stimulus patterns activated dorsolateral fronto-parietal regions and the fusiform gyrus. This attention-associated network was stronger activated in HC than in PD. PD patients thus appeared compromised in recruiting medial frontal regions facilitating internally generated virtual locomotion when visual motion support falls away. Reduced dorsal visual and parietal activations during wide-field optic flow in PD were explained by impaired feedforward visual and visuomotor processing within a magnocellular (visual motion functional chain. Compensation of impaired feedforward processing by distant fronto-cerebellar circuitry in PD is consistent with motor responses to visual motion stimuli being either too strong or too weak. The 'change'-related activations pointed at covert (stimulus-driven attention.

  1. Attenuation relation for strong motion in Eastern Java based on appropriate database and method

    Science.gov (United States)

    Mahendra, Rian; Rohadi, Supriyanto; Rudyanto, Ariska

    2017-07-01

    The selection and determination of attenuation relation has become important for seismic hazard assessment in active seismic region. This research initially constructs the appropriate strong motion database, including site condition and type of the earthquake. The data set consisted of large number earthquakes of 5 ≤ Mw ≤ 9 and distance less than 500 km that occurred around Java from 2009 until 2016. The location and depth of earthquake are being relocated using double difference method to improve the quality of database. Strong motion data from twelve BMKG's accelerographs which are located in east Java is used. The site condition is known by using dominant period and Vs30. The type of earthquake is classified into crustal earthquake, interface, and intraslab based on slab geometry analysis. A total of 10 Ground Motion Prediction Equations (GMPEs) are tested using Likelihood (Scherbaum et al., 2004) and Euclidean Distance Ranking method (Kale and Akkar, 2012) with the associated database. The evaluation of these methods lead to a set of GMPEs that can be applied for seismic hazard in East Java where the strong motion data is collected. The result of these methods found that there is still high deviation of GMPEs, so the writer modified some GMPEs using inversion method. Validation was performed by analysing the attenuation curve of the selected GMPE and observation data in period 2015 up to 2016. The results show that the selected GMPE is suitable for estimated PGA value in East Java.

  2. Long-term passive distance-bounded relative motion in the presence of TeX perturbations

    NARCIS (Netherlands)

    Chu, J.; Guo, J.; Gill, E.K.A.

    2015-01-01

    This paper presents closed-form solutions for the problem of long-term satellite relative motion in the presence of J2 perturbations, and introduces a design methodology for long-term passive distance-bounded relative motion. There are two key ingredients of closed-form solutions.One is the model of

  3. Molecular Motion in Polymers: Mechanical Behavior of Polymers Near the Glass-Rubber Transition Temperature.

    Science.gov (United States)

    Sperling, L. H.

    1982-01-01

    The temperature at which the onset of coordinated segmental motion begins is called the glass-rubber transition temperature (Tg). Natural rubber at room temperature is a good example of a material above its Tg. Describes an experiment examining the response of a typical polymer to temperature variations above and below Tg. (Author/JN)

  4. Gearing motion in cogwheel pairs of molecular rotors: weak-coupling limit

    Czech Academy of Sciences Publication Activity Database

    Kaleta, Jiří; Michl, Josef; Méziere, C.; Simonov, S.; Zorina, L.; Wzietek, P.; Rodríguez-Fortea, A.; Canadell, E.; Batail, P.

    2015-01-01

    Roč. 17, č. 41 (2015), s. 7829-7834 ISSN 1466-8033 EU Projects: European Commission(XE) 227756 - DIPOLAR ROTOR ARRAY Institutional support: RVO:61388963 Keywords : organic frameworks * correlated motion * dynamics Subject RIV: CC - Organic Chemistry Impact factor: 3.849, year: 2015 http://pubs.rsc.org/en/content/articlepdf/2015/ce/c5ce01372k

  5. Analytical solution of perturbed relative motion: an application of satellite formations to geodesy

    Science.gov (United States)

    Wnuk, Edwin

    In the upcoming years, several space missions will be operated using a number of spacecraft flying in formation. Clusters of spacecraft with a carefully designed orbits and optimal formation geometry enable a wide variety of applications ranging from remote sensing to astronomy, geodesy and basic physics. Many of the applications require precise relative navigation and autonomous orbit control of satellites moving in a formation. For many missions a centimeter level of orbit control accuracy is required. The GRACE mission, since its launch in 2002, has been improving the Earth's gravity field model to a very high level of accuracy. This mission is a formation flying one consisting of two satellites moving in coplanar orbits and provides range and range-rate measurements between the satellites in the along-track direction. Future geodetic missions probably will employ alternative architectures using additional satellites and/or performing out-of-plane motion, e.g cartwheel orbits. The paper presents an analytical model of a satellite formation motion that enables propagation of the relative spacecraft motion. The model is based on the analytical theory of satellite relative motion that was presented in the previous our papers (Wnuk and Golebiewska, 2005, 2006). This theory takes into account the influence of the following gravitational perturbation effects: 1) zonal and tesseral harmonic geopotential coefficients up to arbitrary degree and order, 2) Lunar gravity, 3) Sun gravity. Formulas for differential perturbations were derived with any restriction concerning a plane of satellite orbits. They can be applied in both: in plane and out of plane cases. Using this propagator we calculated relative orbits and future relative satellite positions for different types of formations: in plane, out of plane, cartwheel and others. We analyzed the influence of particular parts of perturbation effects and estimated the accuracy of predicted relative spacecrafts positions

  6. A molecular dynamics study of the effects of fast molecular motions on solid-state NMR parameters

    Czech Academy of Sciences Publication Activity Database

    Dračínský, Martin; Hodgkinson, P.

    2013-01-01

    Roč. 15, č. 43 (2013), s. 8705-8712 ISSN 1466-8033 Grant - others:Seventh Framework Programme of the European Union(XE) FP7-299242 People Institutional support: RVO:61388963 Keywords : molecular dynamics * DFT calculations * NMR spectroscopy Subject RIV: CC - Organic Chemistry Impact factor: 3.858, year: 2013

  7. The use of anatomical information for molecular image reconstruction algorithms: Attention/Scatter correction, motion compensation, and noise reduction

    Energy Technology Data Exchange (ETDEWEB)

    Chun, Se Young [School of Electrical and Computer Engineering, Ulsan National Institute of Science and Technology (UNIST), Ulsan (Korea, Republic of)

    2016-03-15

    PET and SPECT are important tools for providing valuable molecular information about patients to clinicians. Advances in nuclear medicine hardware technologies and statistical image reconstruction algorithms enabled significantly improved image quality. Sequentially or simultaneously acquired anatomical images such as CT and MRI from hybrid scanners are also important ingredients for improving the image quality of PET or SPECT further. High-quality anatomical information has been used and investigated for attenuation and scatter corrections, motion compensation, and noise reduction via post-reconstruction filtering and regularization in inverse problems. In this article, we will review works using anatomical information for molecular image reconstruction algorithms for better image quality by describing mathematical models, discussing sources of anatomical information for different cases, and showing some examples.

  8. Investigating the significance of zero-point motion in small molecular clusters of sulphuric acid and water

    International Nuclear Information System (INIS)

    Stinson, Jake L.; Ford, Ian J.; Kathmann, Shawn M.

    2014-01-01

    The nucleation of particles from trace gases in the atmosphere is an important source of cloud condensation nuclei, and these are vital for the formation of clouds in view of the high supersaturations required for homogeneous water droplet nucleation. The methods of quantum chemistry have increasingly been employed to model nucleation due to their high accuracy and efficiency in calculating configurational energies; and nucleation rates can be obtained from the associated free energies of particle formation. However, even in such advanced approaches, it is typically assumed that the nuclei have a classical nature, which is questionable for some systems. The importance of zero-point motion (also known as quantum nuclear dynamics) in modelling small clusters of sulphuric acid and water is tested here using the path integral molecular dynamics method at the density functional level of theory. The general effect of zero-point motion is to distort the mean structure slightly, and to promote the extent of proton transfer with respect to classical behaviour. In a particular configuration of one sulphuric acid molecule with three waters, the range of positions explored by a proton between a sulphuric acid and a water molecule at 300 K (a broad range in contrast to the confinement suggested by geometry optimisation at 0 K) is clearly affected by the inclusion of zero point motion, and similar effects are observed for other configurations

  9. Special relativity and the Karhunen-Loeve expansion of Brownian motion

    International Nuclear Information System (INIS)

    Maccone, C.

    1987-01-01

    The connection between special relativity and the theory of the time-rescaled Gaussian stochastic processes is brought to light. It is given the general expression of the Karhunen-Loewe expansion for the Brownian motion whose variable is the proper time. The relevant eigenfunctions are proved to be Bessel functions, and their stability is discussed. The eigenvalues are shown to be the zeros of certain linear combinations of the Bessel functions and their partials. The energy distribution of such a class of processes is investigated, and it is given explicit formulae for both its mean value and variance. Finally it is studied in detail the Karhumen-Loeve expansion for a case of relativistic decelerated motion whose analysis is feasible in closed form

  10. On the relation of earthquake stress drop and ground motion variability

    Science.gov (United States)

    Oth, Adrien; Miyake, Hiroe; Bindi, Dino

    2017-07-01

    One of the key parameters for earthquake source physics is stress drop since it can be directly linked to the spectral level of ground motion. Stress drop estimates from moment corner frequency analysis have been shown to be extremely variable, and this to a much larger degree than expected from the between-event ground motion variability. This discrepancy raises the question whether classically determined stress drop variability is too large, which would have significant consequences for seismic hazard analysis. We use a large high-quality data set from Japan with well-studied stress drop data to address this issue. Nonparametric and parametric reference ground motion models are derived, and the relation of between-event residuals for Japan Meteorological Agency equivalent seismic intensity and peak ground acceleration with stress drop is analyzed for crustal earthquakes. We find a clear correlation of the between-event residuals with stress drops estimates; however, while the island of Kyushu is characterized by substantially larger stress drops than Honshu, the between-event residuals do not reflect this observation, leading to the appearance of two event families with different stress drop levels yet similar range of between-event residuals. Both the within-family and between-family stress drop variations are larger than expected from the ground motion between-event variability. A systematic common analysis of these parameters holds the potential to provide important constraints on the relative robustness of different groups of data in the different parameter spaces and to improve our understanding on how much of the observed source parameter variability is likely to be true source physics variability.

  11. Topology of the Relative Motion: Circular and Eccentric Reference Orbit Cases

    Science.gov (United States)

    FontdecabaiBaig, Jordi; Metris, Gilles; Exertier, Pierre

    2007-01-01

    This paper deals with the topology of the relative trajectories in flight formations. The purpose is to study the different types of relative trajectories, their degrees of freedom, and to give an adapted parameterization. The paper also deals with the research of local circular motions. Even if they exist only when the reference orbit is circular, we extrapolate initial conditions to the eccentric reference orbit case.This alternative approach is complementary with traditional approaches in terms of cartesian coordinates or differences of orbital elements.

  12. Gravity Cues Embedded in the Kinematics of Human Motion Are Detected in Form-from-Motion Areas of the Visual System and in Motor-Related Areas.

    Science.gov (United States)

    Cignetti, Fabien; Chabeauti, Pierre-Yves; Menant, Jasmine; Anton, Jean-Luc J J; Schmitz, Christina; Vaugoyeau, Marianne; Assaiante, Christine

    2017-01-01

    The present study investigated the cortical areas engaged in the perception of graviceptive information embedded in biological motion (BM). To this end, functional magnetic resonance imaging was used to assess the cortical areas active during the observation of human movements performed under normogravity and microgravity (parabolic flight). Movements were defined by motion cues alone using point-light displays. We found that gravity modulated the activation of a restricted set of regions of the network subtending BM perception, including form-from-motion areas of the visual system (kinetic occipital region, lingual gyrus, cuneus) and motor-related areas (primary motor and somatosensory cortices). These findings suggest that compliance of observed movements with normal gravity was carried out by mapping them onto the observer's motor system and by extracting their overall form from local motion of the moving light points. We propose that judgment on graviceptive information embedded in BM can be established based on motor resonance and visual familiarity mechanisms and not necessarily by accessing the internal model of gravitational motion stored in the vestibular cortex.

  13. On stability relative to vector elements of the orbit in general relativity motion

    International Nuclear Information System (INIS)

    Abdil'din, M.M.; Bejsenova, N.A.

    2002-01-01

    In this work a question of a new type of stability - stability relative to vector elements of the orbit is considered in general relativity mechanics in case of the Lenze-Thirring and two body rotation. (author)

  14. Experimenting relations between artists and scientists : the appropriation of motion sensors by dancers

    Directory of Open Access Journals (Sweden)

    Fabienne MARTIN-JUCHAT

    2013-07-01

    Full Text Available We want to show here how recent innovations called Motion Capture, still being tested in laboratory on their potential uses, invite us to change our way to relate to the “technique”. We don’t want to question what the technique does to the social, nor what the social structures does to the technique, but we want to highlight the shifting principles that define interactions between technologies and humans. We therefore underline how using these motion sensors gives birth to different human modes of being present, co-present, or in a sensory and thymic interaction with technology. This article is based on experimental use tests, convoking both artists and engineers, questioning differently the relationship between technology, human and the interaction order. Our result is to question how using and being with these motion sensors, as a dancer, displace epistemological oppositions such as person/machine. It finally sheds light on how some others classical models can move, especially the semiotic decomposition of interaction processes and status.

  15. Does ℏ play a role in multidimensional spectroscopy? Reduced hierarchy equations of motion approach to molecular vibrations.

    Science.gov (United States)

    Sakurai, Atsunori; Tanimura, Yoshitaka

    2011-04-28

    To investigate the role of quantum effects in vibrational spectroscopies, we have carried out numerically exact calculations of linear and nonlinear response functions for an anharmonic potential system nonlinearly coupled to a harmonic oscillator bath. Although one cannot carry out the quantum calculations of the response functions with full molecular dynamics (MD) simulations for a realistic system which consists of many molecules, it is possible to grasp the essence of the quantum effects on the vibrational spectra by employing a model Hamiltonian that describes an intra- or intermolecular vibrational motion in a condensed phase. The present model fully includes vibrational relaxation, while the stochastic model often used to simulate infrared spectra does not. We have employed the reduced quantum hierarchy equations of motion approach in the Wigner space representation to deal with nonperturbative, non-Markovian, and nonsecular system-bath interactions. Taking the classical limit of the hierarchy equations of motion, we have obtained the classical equations of motion that describe the classical dynamics under the same physical conditions as in the quantum case. By comparing the classical and quantum mechanically calculated linear and multidimensional spectra, we found that the profiles of spectra for a fast modulation case were similar, but different for a slow modulation case. In both the classical and quantum cases, we identified the resonant oscillation peak in the spectra, but the quantum peak shifted to the red compared with the classical one if the potential is anharmonic. The prominent quantum effect is the 1-2 transition peak, which appears only in the quantum mechanically calculated spectra as a result of anharmonicity in the potential or nonlinearity of the system-bath coupling. While the contribution of the 1-2 transition is negligible in the fast modulation case, it becomes important in the slow modulation case as long as the amplitude of the

  16. Molecular cloning and characterization of pathogenesis-related ...

    African Journals Online (AJOL)

    We described the cloning and characterization of pathogenesis-related protein 5 gene in maize, named ZmPR5 (GenBank Accession Number: HM230665). Molecular and bioinformatic analyses of ZmPR5 revealed an open reading frame (ORF) of 525 bp, encoding a protein of 175 amino acids (aa) and a deduced ...

  17. Molecular and cellular insights into Zika virus-related neuropathies.

    Science.gov (United States)

    Zhou, Kai; Wang, Long; Yu, Di; Huang, Hesuyuan; Ji, Hong; Mo, Xuming

    2017-06-01

    Zika virus (ZIKV), a relatively elusive Aedes mosquito-transmitted flavivirus, had been brought into spotlight until recent widespread outbreaks accompanied by unexpectedly severe clinical neuropathies, including fetal microcephaly and Guillain-Barré syndrome (GBS) in the adult. In this review, we focus on the underlying cellular and molecular mechanisms by which vertically transmitted microorganisms reach the fetus and trigger neuropathies.

  18. Molecular diversity among wild relatives of Cajanus cajan (L.) Millsp ...

    African Journals Online (AJOL)

    In the present study, four wild relatives of pigeonpea were evaluated using 24 simple sequence repeat (SSR) markers to assess their genetic diversity at molecular level. Each marker, on average, amplified 3.3 alleles with polymorphic information content (PIC) value of 0.53. The dendrogram pattern revealed two distinct ...

  19. Quasielastic neutron scattering study of large amplitude motions in molecular systems

    International Nuclear Information System (INIS)

    Bee, M.

    1996-01-01

    This lecture aims at giving some illustrations of the use of Incoherent Quasielastic Neutron Scattering in the investigation of motions of atoms or molecules in phases with dynamical disorder. The general incoherent scattering function is first recalled. Then the Elastic Incoherent Structure Factor is introduced. It is shown how its determination permits to deduce a particular dynamical model. Long-range translational diffusion is illustrated by some experiments carried out with liquids or with different chemical species intercalated in porous media. Examples of rotational motions are provided by solid phases where an orientational disorder of the molecules exists. The jump model is the most commonly used and yields simple scattering laws which can be easily handled. Highly disordered crystals require a description in terms of the isotropic rotational diffusion model. Many of the present studies are concerned with rather complicated systems. Considerable help is obtained either by using selectively deuterated samples or by carrying out measurements with semi-oriented samples. (author) 5 figs., 14 refs

  20. North America-Greenland-Eurasian relative motions: implications for circum-arctic tectonic reconstructions

    Energy Technology Data Exchange (ETDEWEB)

    Rowley, D.B.; Lottes, A.L.; Ziegler, A.M.

    1985-02-01

    The Mesozoic-Cenozoic tectonic evolution of the Circum-Arctic region is based on constraints imposed by (1) relative motion histories of the three major plates (North America, Greenland, and Eurasia) and a number of smaller pieces, and (2) distribution and age of sutures, accretionary prisms, volcanic arcs, fold-thrust belts, stretched continental crust, strike-slip faults, and ocean floor. The authors conclude that: (1) North America and Eurasia remained relatively fixed to each other until the latest Cretaceous-Paleocene opening of the Labrador Sea-Baffin Bay and Greenland-Norwegian and Eurasian basins (earlier convergence between North America and Eurasia in the Bering Sea region shown on many reconstructions are artifacts of incorrect plate reconstructions); (2) the North Slope-Seward-Chukotka block has constituted an isthmus connection between North America and northeast Asia since at least the middle Paleozoic and did not rotate away from the Canadian Arctic; (3) the Canada basin opened behind a clockwise-rotating Alpha Cordillera-Mendeleyev ridge arc during the Early to middle Cretaceous and consumed older, Paleozoic(.) Makarov basin ocean floor (the Chukchi cap is a detached continental fragment derived from the Beaufort Sea; the North Slope Arctic margin is a left-lateral transform fault associated with the opening of the Canada basin); and (4) the Nares Strait fault has a net relative displacement of approximately 25 km, but actual motion between Greenland and northern Ellesmere was about 250 km of strongly transpressive motion that resulted in the Eurekan and Svalbardian orogenies.

  1. The consistency of large concerted motions in proteins in molecular dynamics simulations

    NARCIS (Netherlands)

    de Groot, B.L.; van Aalten, D.M.F.; Amadei, A; Berendsen, H.J.C.

    1996-01-01

    A detailed investigation is presented into the effect of limited sampling time and small changes in the force field on molecular dynamics simulations of a protein. Thirteen independent simulations of the B1 IgG-binding domain of streptococcal protein G were performed, with small changes in the

  2. Effect of task-related continuous auditory feedback during learning of tracking motion exercises

    Directory of Open Access Journals (Sweden)

    Rosati Giulio

    2012-10-01

    visuomotor perturbation, whereas controller-task-related sound feedback did not. This result was particularly interesting, as the subjects relied more on auditory augmentation of the visualized target motion (which was altered with respect to arm motion by the visuomotor perturbation, rather than on sound feedback provided in the controller space, i.e., information directly related to the effective target motion of their arm. Conclusions Our results indicate that auditory augmentation of visual feedback can be beneficial during the execution of upper limb movement exercises. In particular, we found that continuous task-related information provided through sound, in addition to visual feedback can improve not only performance but also the learning of a novel visuomotor perturbation. However, error-related information provided through sound did not improve performance and negatively affected learning in the presence of the visuomotor perturbation.

  3. Relations between Automatically Extracted Motion Features and the Quality of Mother-Infant Interactions at 4 and 13 Months.

    Science.gov (United States)

    Egmose, Ida; Varni, Giovanna; Cordes, Katharina; Smith-Nielsen, Johanne; Væver, Mette S; Køppe, Simo; Cohen, David; Chetouani, Mohamed

    2017-01-01

    Bodily movements are an essential component of social interactions. However, the role of movement in early mother-infant interaction has received little attention in the research literature. The aim of the present study was to investigate the relationship between automatically extracted motion features and interaction quality in mother-infant interactions at 4 and 13 months. The sample consisted of 19 mother-infant dyads at 4 months and 33 mother-infant dyads at 13 months. The coding system Coding Interactive Behavior (CIB) was used for rating the quality of the interactions. Kinetic energy of upper-body, arms and head motion was calculated and used as segmentation in order to extract coarse- and fine-grained motion features. Spearman correlations were conducted between the composites derived from the CIB and the coarse- and fine-grained motion features. At both 4 and 13 months, longer durations of maternal arm motion and infant upper-body motion were associated with more aversive interactions, i.e., more parent-led interactions and more infant negativity. Further, at 4 months, the amount of motion silence was related to more adaptive interactions, i.e., more sensitive and child-led interactions. Analyses of the fine-grained motion features showed that if the mother coordinates her head movements with her infant's head movements, the interaction is rated as more adaptive in terms of less infant negativity and less dyadic negative states. We found more and stronger correlations between the motion features and the interaction qualities at 4 compared to 13 months. These results highlight that motion features are related to the quality of mother-infant interactions. Factors such as infant age and interaction set-up are likely to modify the meaning and importance of different motion features.

  4. Extract the Relational Information of Static Features and Motion Features for Human Activities Recognition in Videos

    Directory of Open Access Journals (Sweden)

    Li Yao

    2016-01-01

    Full Text Available Both static features and motion features have shown promising performance in human activities recognition task. However, the information included in these features is insufficient for complex human activities. In this paper, we propose extracting relational information of static features and motion features for human activities recognition. The videos are represented by a classical Bag-of-Word (BoW model which is useful in many works. To get a compact and discriminative codebook with small dimension, we employ the divisive algorithm based on KL-divergence to reconstruct the codebook. After that, to further capture strong relational information, we construct a bipartite graph to model the relationship between words of different feature set. Then we use a k-way partition to create a new codebook in which similar words are getting together. With this new codebook, videos can be represented by a new BoW vector with strong relational information. Moreover, we propose a method to compute new clusters from the divisive algorithm’s projective function. We test our work on the several datasets and obtain very promising results.

  5. Uniaxial stress-driven coupled grain boundary motion in hexagonal close-packed metals: A molecular dynamics study

    International Nuclear Information System (INIS)

    Zong, Hongxiang; Ding, Xiangdong; Lookman, Turab; Li, Ju; Sun, Jun

    2015-01-01

    Stress-driven grain boundary (GB) migration has been evident as a dominant mechanism accounting for plastic deformation in crystalline solids. Using molecular dynamics (MD) simulations on a Ti bicrystal model, we show that a uniaxial stress-driven coupling is associated with the recently observed 90° GB reorientation in shock simulations and nanopillar compression measurements. This is not consistent with the theory of shear-induced coupled GB migration. In situ atomic configuration analysis reveals that this GB motion is accompanied by the glide of two sets of parallel dislocation arrays, and the uniaxial stress-driven coupling is explained through a composite action of symmetrically distributed dislocations and deformation twins. In addition, the coupling factor is calculated from MD simulations over a wide range of temperatures. We find that the coupled motion can be thermally damped (i.e., not thermally activated), probably due to the absence of the collective action of interface dislocations. This uniaxial coupled mechanism is believed to apply to other hexagonal close-packed metals

  6. MILKY WAY STAR-FORMING COMPLEXES AND THE TURBULENT MOTION OF THE GALAXY'S MOLECULAR GAS

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Eve J.; Rahman, Mubdi [Department of Astronomy and Astrophysics, University of Toronto, 50 St. George Street, Toronto, ON, M5S 3H4 (Canada); Murray, Norman, E-mail: elee@astro.utoronto.ca, E-mail: rahman@astro.utoronto.ca, E-mail: elee@cita.utoronto.ca, E-mail: murray@cita.utoronto.ca [Canadian Institute for Theoretical Astrophysics, 60 St. George Street, University of Toronto, Toronto, ON, M5S 3H8 (Canada)

    2012-06-20

    We analyze Spitzer GLIMPSE, Midcourse Space Experiment (MSX), and Wilkinson Microwave Anisotropy Probe (WMAP) images of the Milky Way to identify 8 {mu}m and free-free sources in the Galaxy. Seventy-two of the 88 WMAP sources have coverage in the GLIMPSE and MSX surveys suitable for identifying massive star-forming complexes (SFCs). We measure the ionizing luminosity functions of the SFCs and study their role in the turbulent motion of the Galaxy's molecular gas. We find a total Galactic free-free flux f{sub {nu}} = 46,177.6 Jy; the 72 WMAP sources with full 8 {mu}m coverage account for 34,263.5 Jy ({approx}75%), with both measurements made at {nu} = 94 GHz (W band). We find a total of 280 SFCs, of which 168 have unique kinematic distances and free-free luminosities. We use a simple model for the radial distribution of star formation to estimate the free-free and ionizing luminosity for the sources lacking distance determinations. The total dust-corrected ionizing luminosity is Q = (2.9 {+-} 0.5) Multiplication-Sign 10{sup 53} photons s{sup -1}, which implies a Galactic star formation rate of M-dot{sub *}= 1.2{+-}0.2 M{sub Sun} yr{sup -1}. We present the (ionizing) luminosity function of the SFCs and show that 24 sources emit half the ionizing luminosity of the Galaxy. The SFCs appear as bubbles in GLIMPSE or MSX images; the radial velocities associated with the bubble walls allow us to infer the expansion velocity of the bubbles. We calculate the kinetic luminosity of the bubble expansion and compare it to the turbulent luminosity of the inner molecular disk. SFCs emitting 80% of the total Galactic free-free luminosity produce a kinetic luminosity equal to 65% of the turbulent luminosity in the inner molecular disk. This suggests that the expansion of the bubbles is a major driver of the turbulent motion of the inner Milky Way molecular gas.

  7. Structure-based molecular simulations reveal the enhancement of biased Brownian motions in single-headed kinesin.

    Science.gov (United States)

    Kanada, Ryo; Kuwata, Takeshi; Kenzaki, Hiroo; Takada, Shoji

    2013-01-01

    Kinesin is a family of molecular motors that move unidirectionally along microtubules (MT) using ATP hydrolysis free energy. In the family, the conventional two-headed kinesin was experimentally characterized to move unidirectionally through "walking" in a hand-over-hand fashion by coordinated motions of the two heads. Interestingly a single-headed kinesin, a truncated KIF1A, still can generate a biased Brownian movement along MT, as observed by in vitro single molecule experiments. Thus, KIF1A must use a different mechanism from the conventional kinesin to achieve the unidirectional motions. Based on the energy landscape view of proteins, for the first time, we conducted a set of molecular simulations of the truncated KIF1A movements over an ATP hydrolysis cycle and found a mechanism exhibiting and enhancing stochastic forward-biased movements in a similar way to those in experiments. First, simulating stand-alone KIF1A, we did not find any biased movements, while we found that KIF1A with a large friction cargo-analog attached to the C-terminus can generate clearly biased Brownian movements upon an ATP hydrolysis cycle. The linked cargo-analog enhanced the detachment of the KIF1A from MT. Once detached, diffusion of the KIF1A head was restricted around the large cargo which was located in front of the head at the time of detachment, thus generating a forward bias of the diffusion. The cargo plays the role of a diffusional anchor, or cane, in KIF1A "walking."

  8. Structure-based molecular simulations reveal the enhancement of biased Brownian motions in single-headed kinesin.

    Directory of Open Access Journals (Sweden)

    Ryo Kanada

    Full Text Available Kinesin is a family of molecular motors that move unidirectionally along microtubules (MT using ATP hydrolysis free energy. In the family, the conventional two-headed kinesin was experimentally characterized to move unidirectionally through "walking" in a hand-over-hand fashion by coordinated motions of the two heads. Interestingly a single-headed kinesin, a truncated KIF1A, still can generate a biased Brownian movement along MT, as observed by in vitro single molecule experiments. Thus, KIF1A must use a different mechanism from the conventional kinesin to achieve the unidirectional motions. Based on the energy landscape view of proteins, for the first time, we conducted a set of molecular simulations of the truncated KIF1A movements over an ATP hydrolysis cycle and found a mechanism exhibiting and enhancing stochastic forward-biased movements in a similar way to those in experiments. First, simulating stand-alone KIF1A, we did not find any biased movements, while we found that KIF1A with a large friction cargo-analog attached to the C-terminus can generate clearly biased Brownian movements upon an ATP hydrolysis cycle. The linked cargo-analog enhanced the detachment of the KIF1A from MT. Once detached, diffusion of the KIF1A head was restricted around the large cargo which was located in front of the head at the time of detachment, thus generating a forward bias of the diffusion. The cargo plays the role of a diffusional anchor, or cane, in KIF1A "walking."

  9. From Gyroscopic to Thermal Motion: A Crossover in the Dynamics of Molecular Superrotors

    Science.gov (United States)

    Milner, A. A.; Korobenko, A.; Rezaiezadeh, K.; Milner, V.

    2015-07-01

    Localized heating of a gas by intense laser pulses leads to interesting acoustic, hydrodynamic, and optical effects with numerous applications in science and technology, including controlled wave guiding and remote atmosphere sensing. Rotational excitation of molecules can serve as the energy source for raising the gas temperature. Here, we study the dynamics of energy transfer from the molecular rotation to heat. By optically imaging a cloud of molecular superrotors, created with an optical centrifuge, we experimentally identify two separate and qualitatively different stages of its evolution. The first nonequilibrium "gyroscopic" stage is characterized by the modified optical properties of the centrifuged gas—its refractive index and optical birefringence, owing to the ultrafast directional molecular rotation, which survives tens of collisions. The loss of rotational directionality is found to overlap with the release of rotational energy to heat, which triggers the second stage of thermal expansion. The crossover between anisotropic rotational and isotropic thermal regimes is in agreement with recent theoretical predictions and our hydrodynamic calculations.

  10. From Gyroscopic to Thermal Motion: A Crossover in the Dynamics of Molecular Superrotors

    Directory of Open Access Journals (Sweden)

    A. A. Milner

    2015-09-01

    Full Text Available Localized heating of a gas by intense laser pulses leads to interesting acoustic, hydrodynamic, and optical effects with numerous applications in science and technology, including controlled wave guiding and remote atmosphere sensing. Rotational excitation of molecules can serve as the energy source for raising the gas temperature. Here, we study the dynamics of energy transfer from the molecular rotation to heat. By optically imaging a cloud of molecular superrotors, created with an optical centrifuge, we experimentally identify two separate and qualitatively different stages of its evolution. The first nonequilibrium “gyroscopic” stage is characterized by the modified optical properties of the centrifuged gas—its refractive index and optical birefringence, owing to the ultrafast directional molecular rotation, which survives tens of collisions. The loss of rotational directionality is found to overlap with the release of rotational energy to heat, which triggers the second stage of thermal expansion. The crossover between anisotropic rotational and isotropic thermal regimes is in agreement with recent theoretical predictions and our hydrodynamic calculations.

  11. Molecular motions that shape the cardiac action potential: Insights from voltage clamp fluorometry.

    Science.gov (United States)

    Zhu, Wandi; Varga, Zoltan; Silva, Jonathan R

    2016-01-01

    Very recently, voltage-clamp fluorometry (VCF) protocols have been developed to observe the membrane proteins responsible for carrying the ventricular ionic currents that form the action potential (AP), including those carried by the cardiac Na(+) channel, NaV1.5, the L-type Ca(2+) channel, CaV1.2, the Na(+)/K(+) ATPase, and the rapid and slow components of the delayed rectifier, KV11.1 and KV7.1. This development is significant, because VCF enables simultaneous observation of ionic current kinetics with conformational changes occurring within specific channel domains. The ability gained from VCF, to connect nanoscale molecular movement to ion channel function has revealed how the voltage-sensing domains (VSDs) control ion flux through channel pores, mechanisms of post-translational regulation and the molecular pathology of inherited mutations. In the future, we expect that this data will be of great use for the creation of multi-scale computational AP models that explicitly represent ion channel conformations, connecting molecular, cell and tissue electrophysiology. Here, we review the VCF protocol, recent results, and discuss potential future developments, including potential use of these experimental findings to create novel computational models. Copyright © 2015 Elsevier Ltd. All rights reserved.

  12. Special relativity and superluminal motions: a discussion of some recent experiments

    Energy Technology Data Exchange (ETDEWEB)

    Recami, E. [Istituto Nazionale di Fisica Nucleare, Milan (Italy)]|[Bergamo Univ., Bergamo (Italy). Fac. di Ingegneria]|[State Univ. of Campinas, Campinas (Brazil); Fontana, F. [Pirelli Cavi, Milan (Italy). R and D sector; Garavaglia, R. [Milan Univ., Milan (Italy). Dipt. di Scienze dell' Informazione

    2000-03-01

    Some experiments, performed at Berkeley, Cologne, Florence, Vienna, Orsay and Rennes led to the claim that something seems to travel with a group velocity larger than the speed c of light in vacuum. Various other experimental results seem to point in the same direction. For instance, localized wavelet-type solutions of Maxwell equations have been found, both theoretically and experimentally, that travel with superluminal speed. Even mounic and electronic neutrinos - it has been proposed - might be tachyons, since their square mass appears to be negative. With regard to the first mentioned experiments, it was very recently claimed by Guenter Nimtz that those results with evanescent waves or tunnelling photons - implying superluminal signal and impulse transmission - violate Einstein causality. This note, on the contrary, discusses that all such results do not place relativistic causality in jeopardy, even if they refer to actual tachyonic motions. In fact, special relativity can cope even with also the known paradoxes , devised for faster than light motion, even if this is not widely recognized. Here the paper shows, in detail and rigorously, how to solve the oldest casual paradox. originally proposed by Tolman, which is the kernel of many further tachyon paradoxes. The key to the solution is a careful application of tachyon mechanics, as it unambiguously follows from special relativity.

  13. Special relativity and superluminal motions: a discussion of some recent experiments

    International Nuclear Information System (INIS)

    Recami, E.; Fontana, F.; Garavaglia, R.

    2000-03-01

    Some experiments, performed at Berkeley, Cologne, Florence, Vienna, Orsay and Rennes led to the claim that something seems to travel with a group velocity larger than the speed c of light in vacuum. Various other experimental results seem to point in the same direction. For instance, localized wavelet-type solutions of Maxwell equations have been found, both theoretically and experimentally, that travel with superluminal speed. Even muonic and electronic neutrinos - it has been proposed - might be tachyons, since their square mass appears to be negative. With regard to the first mentioned experiments, it was very recently claimed by Guenter Nimtz that those results with evanescent waves or tunnelling photons - implying superluminal signal and impulse transmission - violate Einstein causality. This note, on the contrary, discusses that all such results do not place relativistic causality in jeopardy, even if they refer to actual tachyonic motions. In fact, special relativity can cope even with also the known paradoxes , devised for faster than light motion, even if this is not widely recognized. Here the paper shows, in detail and rigorously, how to solve the oldest casual paradox. originally proposed by Tolman, which is the kernel of many further tachyon paradoxes. The key to the solution is a careful application of tachyon mechanics, as it unambiguously follows from special relativity

  14. Relative Attitude Estimation for a Uniform Motion and Slowly Rotating Noncooperative Spacecraft

    Directory of Open Access Journals (Sweden)

    Liu Zhang

    2017-01-01

    Full Text Available This paper presents a novel relative attitude estimation approach for a uniform motion and slowly rotating noncooperative spacecraft. It is assumed that the uniform motion and slowly rotating noncooperative chief spacecraft is in failure or out of control and there is no a priori rotation rate information. We utilize a very fast binary descriptor based on binary robust independent elementary features (BRIEF to obtain the features of the target, which are rotational invariance and resistance to noise. And then, we propose a novel combination of single candidate random sample consensus (RANSAC with extended Kalman filter (EKF that makes use of the available prior probabilistic information from the EKF in the RANSAC model hypothesis stage. The advantage of this combination obviously reduces the sample size to only one, which results in large computational savings without the loss of accuracy. Experimental results from real image sequence of a real model target show that the relative angular error is about 3.5% and the mean angular velocity error is about 0.1 deg/s.

  15. Vertical Motion Changes Related to North-East Brazil Rainfall Variability: a GCM Simulation

    Science.gov (United States)

    Roucou, Pascal; Oribe Rocha de Aragão, José; Harzallah, Ali; Fontaine, Bernard; Janicot, Serge

    1996-08-01

    The atmospheric structure over north-east Brazil during anomalous rainfall years is studied in the 11 levels of the outputs of the Laboratoire de Météorologie Dynamique atmospheric general circulation model (LMD AGCM). Seven 19-year simulations were performed using observed sea-surface temperature (SST) corresponding to the period 1970- 1988. The ensemble mean is calculated for each month of the period, leading to an ensemble-averaged simulation. The simulated March-April rainfall is in good agreement with observations. Correlations of simulated rainfall and three SST indices relative to the equatorial Pacific and northern and southern parts of the Atlantic Ocean exhibit stronger relationships in the simulation than in the observations. This is particularly true with the SST gradient in the Atlantic (Atlantic dipole). Analyses on 200 ;hPa velocity potential, vertical velocity, and vertical integral of the zonal component of mass flux are performed for years of abnormal rainfall and positive/negative SST anomalies in the Pacific and Atlantic oceans in March-April during the rainy season over the Nordeste region. The results at 200 hPa show a convergence anomaly over Nordeste and a divergence anomaly over the Pacific concomitant with dry seasons associated with warm SST anomalies in the Pacific and warm (cold) waters in the North (South) Atlantic. During drought years convection inside the ITCZ indicated by the vertical velocity exhibits a displacement of the convection zone corresponding to a northward migration of the ITCZ. The east-west circulation depicted by the zonal divergent mass flux shows subsiding motion over Nordeste and ascending motion over the Pacific in drought years, accompanied by warm waters in the eastern Pacific and warm/cold waters in northern/southern Atlantic. Rainfall variability of the Nordeste rainfall is linked mainly to vertical motion and SST variability through the migration of the ITCZ and the east-west circulation.

  16. Apsidal motion of the eccentric eclipsing binary DI Herculis: An apparent discrepancy with general relativity

    International Nuclear Information System (INIS)

    Guinan, E.F.; Maloney, F.P.

    1985-01-01

    In 1959, Rudkjobing called attention to the 8th magnitude, eccentric eclipsing binary DI Herculis as an important test case for studying relativistic apsidal motion, since the theoretical relativistic apsidal motion is greater than that expected from the classical effects (i.e., from the tidal and rotational deformation of the stellar components). Excellent determinations of the orbital and stellar parameters of the system have been made by Popper (1982) from the combined analysis of the system's radial-velocity data and UBV light curves of Martynov and Khaliullin (1980), which permit the theoretical relativistic and classical components of the apsidal motion to be determined with reasonable certainty: omega-dot/sup theor//sub GR/ = 2X34/100 yr and omega-dot/sup theor//sub CL/ = 1X93/100 yr. Least-squares solutions of the timings of primary and secondary minima, extending over an 84-yr interval, and including eclipse timings obtained as recently as 1984, yield a small advance of periastron omega-dot/sup obs/ = 0X65/100 yr +- 0X18/100 yr. The observed advance of the periastron is about one-seventh the theoretical value of omega-dot/sup theor//sub GR+CL/ = 4X27/100 yr that is expected from the combined relativistic and classical effects, and results in a discrepancy of -3X62/100 yr, a value which has a magnitude of approx.20 sigma. Classical mechanisms that can possibly explain this apparent discrepancy are discussed, along with the possibility that there may be problems with general relativity

  17. Molecular motions in a viscous organic liquid: ferrocene in cold butyl phthalate

    International Nuclear Information System (INIS)

    Ruby, S.L.; Zabransky, B.J.; Flinn, P.A.

    1976-01-01

    The two main purposes of this work were to learn (a) if rotational diffusion can be seen along with translational, and (b) is [x(T) 2 ] unusual as the sample is heated from a glass to a liquid. Our observations show that (a) rotational molecular diffusion is not likely ever to be observed by quadrupole relaxation and (b) that there is indeed a fast increase in [x 2 ] above T/sub g/. This increase is correlated with a rapid and linear increase of the number of ''soft modes'' for the liquid above the glass transition temperature

  18. High Fidelity Modeling of SRP and Its Effect on the Relative Motion of Starshade and WFIRST

    Science.gov (United States)

    Farres, Ariadna; Webster, Cassandra; Folta, Dave

    2018-01-01

    In this paper we perform a detailed analysis of how Solar Radiation Pressure (SRP) affects the relative motion of two spacecrafts, the Wide-Field Infrared Survey Telescope (WFIRST) and Starshade, orbiting in the vicinity of the Sun-Earth L2. While WFIRST orbits about its own Libration Point Orbit (LPO), Starshade will fly a specific trajectory to align with WFIRST and observe a Design Reference Mission of pre-determined target stars. In this analysis, we focus on the transfer orbit for Starshade from one observation to the other. We will describe how SRP affects the dynamics of the Starshade relative to WFIRSTand how relevant this effect is in order to get an accurate estimate of the total difference in velocity (delta v).

  19. Relation between photochromic properties and molecular structures in salicylideneaniline crystals.

    Science.gov (United States)

    Johmoto, Kohei; Ishida, Takashi; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji

    2012-06-01

    The crystal structures of the salicylideneaniline derivatives N-salicylidene-4-tert-butyl-aniline (1), N-3,5-di-tert-butyl-salicylidene-3-methoxyaniline (2), N-3,5-di-tert-butyl-salicylidene-3-bromoaniline (3), N-3,5-di-tert-butyl-salicylidene-3-chloroaniline (4), N-3,5-di-tert-butyl-salicylidene-4-bromoaniline (5), N-3,5-di-tert-butyl-salicylidene-aniline (6), N-3,5-di-tert-butyl-salicylidene-4-carboxyaniline (7) and N-salicylidene-2-chloroaniline (8) were analyzed by X-ray diffraction analysis at ambient temperature to investigate the relationship between their photochromic properties and molecular structures. A clear correlation between photochromism and the dihedral angle of the two benzene rings in the salicylideneaniline derivatives was observed. Crystals with dihedral angles less than 20° were non-photochromic, whereas those with dihedral angles greater than 30° were photochromic. Crystals with dihedral angles between 20 and 30° could be either photochromic or non-photochromic. Inhibition of the pedal motion by intra- or intermolecular steric hindrance, however, can result in non-photochromic behaviour even if the dihedral angle is larger than 30°.

  20. Relative Vessel Motion Tracking using Sensor Fusion, Aruco Markers, and MRU Sensors

    Directory of Open Access Journals (Sweden)

    Sondre Sanden Tordal

    2017-04-01

    Full Text Available This paper presents a novel approach for estimating the relative motion between two moving offshore vessels. The method is based on a sensor fusion algorithm including a vision system and two motion reference units (MRUs. The vision system makes use of the open-source computer vision library OpenCV and a cube with Aruco markers placed onto each of the cube sides. The Extended Quaternion Kalman Filter (EQKF is used for bad pose rejection for the vision system. The presented sensor fusion algorithm is based on the Indirect Feedforward Kalman Filter for error estimation. The system is self-calibrating in the sense that the Aruco cube can be placed in an arbitrary location on the secondary vessel. Experimental 6-DOF results demonstrate the accuracy and efficiency of the proposed sensor fusion method compared with the internal joint sensors of two Stewart platforms and the industrial robot. The standard deviation error was found to be 31mm or better when the Arcuo cube was placed at three different locations.

  1. Universal current-velocity relation of skyrmion motion in chiral magnets

    Science.gov (United States)

    Iwasaki, Junichi; Mochizuki, Masahito; Nagaosa, Naoto

    2013-03-01

    Current-driven motion of the magnetic domain wall requires large critical current density jc ~109 -1012 A/m2, at which the joule heating is a serious problem. The skyrmions recently discovered in chiral magnets, on the other hand, have much smaller critical current of jc ~105 -106 A/m2. We present a numerical simulation of the Landau-Lifshitz-Gilbert equation, which reveals a remarkably robust and universal current-velocity relation of the slyrmion motion driven by the spin transfer torque unaffected by either impurities or nonadiabatic effect in sharp contrast to the case of domain wall or spin helix (HL). Simulation results are analyzed using a theory based on Thiele's equation, and it is concluded that this surprising behavior is due to the Magnus force and flexible shape-deformation of individual skyrmions and skyrmion crystal (SkX), which enable them to avoid pinning centers and then weaken the net pinning force. Dynamical deformation of SkX leads to the fluctuation of Bragg peak with large amplitude, which can be detected by the recent neutron-scattering experiment.

  2. Physical insight into the thermodynamic uncertainty relation using Brownian motion in tilted periodic potentials

    Science.gov (United States)

    Hyeon, Changbong; Hwang, Wonseok

    2017-07-01

    Using Brownian motion in periodic potentials V (x ) tilted by a force f , we provide physical insight into the thermodynamic uncertainty relation, a recently conjectured principle for statistical errors and irreversible heat dissipation in nonequilibrium steady states. According to the relation, nonequilibrium output generated from dissipative processes necessarily incurs an energetic cost or heat dissipation q , and in order to limit the output fluctuation within a relative uncertainty ɛ , at least 2 kBT /ɛ2 of heat must be dissipated. Our model shows that this bound is attained not only at near-equilibrium [f ≪V'(x ) ] but also at far-from-equilibrium [f ≫V'(x ) ] , more generally when the dissipated heat is normally distributed. Furthermore, the energetic cost is maximized near the critical force when the barrier separating the potential wells is about to vanish and the fluctuation of Brownian particles is maximized. These findings indicate that the deviation of heat distribution from Gaussianity gives rise to the inequality of the uncertainty relation, further clarifying the meaning of the uncertainty relation. Our derivation of the uncertainty relation also recognizes a bound of nonequilibrium fluctuations that the variance of dissipated heat (σq2) increases with its mean (μq), and it cannot be smaller than 2 kBT μq .

  3. Molecular simulation study to examine the possibility of detecting collective motion in protein by inelastic neutron scattering

    International Nuclear Information System (INIS)

    Yasumasa, Joti; Nobuhiro, Go; Akio, Kitao; Nobuhiro, Go

    2003-01-01

    Inelastic and quasielastic neutron scattering gives the information on the dynamics of biological macromolecules. The combination of computer simulation with neutron scattering experiments allows us to characterize a wide range of dynamical phenomena in condensed phase bio-molecular systems. In this work, the dynamic structure factors in (Q,ω)-space were calculated by using the results of bio-molecular simulations. From the simulated inelastic neutron scattering spectra, we discuss the (Q,ω)-range and the resolution of a detector needed to observe function-related protein dynamics. (authors)

  4. Artificial molecular motors

    NARCIS (Netherlands)

    Kassem, Salma; van Leeuwen, Thomas; Lubbe, Anouk S.; Wilson, Miriam R.; Feringa, Ben L.; Leigh, David A.

    2017-01-01

    Motor proteins are nature's solution for directing movement at the molecular level. The field of artificial molecular motors takes inspiration from these tiny but powerful machines. Although directional motion on the nanoscale performed by synthetic molecular machines is a relatively new

  5. Three-dimensional organization of vestibular related eye movements to rotational motion in pigeons

    Science.gov (United States)

    Dickman, J. D.; Beyer, M.; Hess, B. J.

    2000-01-01

    During rotational motions, compensatory eye movement adjustments must continually occur in order to maintain objects of visual interest as stable images on the retina. In the present study, the three-dimensional organization of the vestibulo-ocular reflex in pigeons was quantitatively examined. Rotations about different head axes produced horizontal, vertical, and torsional eye movements, whose component magnitude was dependent upon the cosine of the stimulus axis relative to the animal's visual axis. Thus, the three-dimensional organization of the VOR in pigeons appears to be compensatory for any direction of head rotation. Frequency responses of the horizontal, vertical, and torsional slow phase components exhibited high pass filter properties with dominant time constants of approximately 3 s.

  6. Tangent Orbital Rendezvous Using Linear Relative Motion with J2 Perturbations

    Directory of Open Access Journals (Sweden)

    Gang Zhang

    2013-01-01

    Full Text Available The tangent-impulse coplanar orbit rendezvous problem is studied based on the linear relative motion for J2-perturbed elliptic orbits. There are three cases: (1 only the first impulse is tangent; (2 only the second impulse is tangent; (3 both impulses are tangent. For a given initial impulse point, the first two problems can be transformed into finding all roots of a single variable function about the transfer time, which can be done by the secant method. The bitangent rendezvous problem requires the same solution for the first two problems. By considering the initial coasting time, the bitangent rendezvous solution is obtained with a difference function. A numerical example for two coplanar elliptic orbits with J2 perturbations is given to verify the efficiency of these proposed techniques.

  7. The relation between respiratory motion artifact correction and lung standardized uptake value

    International Nuclear Information System (INIS)

    Yin Lijie; Liu Xiaojian; Liu Jie; Xu Rui; Yan Jue

    2014-01-01

    PET/CT is playing an important role in disease diagnosis and therapeutic evaluation. But the respiratory motion artifact may bring trouble in diagnosis and therapy. There are many methods to correct the respiratory motion artifact. Respiratory gated PET/CT is applied most extensively of them. Using respiratory gated PET/CT to correct respiratory motion artifact can increase the maximum standardized uptake value of lung lesion obviously, thereby improving the quality of image and accuracy of diagnosis. (authors)

  8. Molecular Aspects of H. pylori-Related MALT Lymphoma

    Directory of Open Access Journals (Sweden)

    Scott R. Owens

    2011-01-01

    Full Text Available Helicobacter pylori-related extranodal marginal zone lymphoma of mucosa-associated lymphoid tissue is a paradigm for malignancy arising in an inflammatory background. While the diagnosis of H. pylori gastritis is often straightforward, distinction between severe gastritis and early lymphoma can be difficult and requires careful assessment of clinical findings in addition to histological features and immunohistochemical results. A number of cytogenetic abnormalities have been discovered in H. pylori-related lymphomas and several have clinical importance, related to the responsiveness of lymphoma to H. pylori eradication therapy, but routine molecular studies are not widely utilized. While molecular methods may be used in equivocal cases, a trial of conservative therapy is warranted given the propensity for these lymphomas to regress with eradication of the organism. Once therapy is initiated, care must be taken to avoid a premature assignment of disease refractoriness because complete response can take several months to more than a year. Cases truly refractory to H. pylori eradication therapy may be treated with adjuvant chemoradiation with a high response rate.

  9. The Coordination Dynamics of Observational Learning: Relative Motion Direction and Relative Phase as Informational Content Linking Action-Perception to Action-Production.

    Science.gov (United States)

    Buchanan, John J

    2016-01-01

    The primary goal of this chapter is to merge together the visual perception perspective of observational learning and the coordination dynamics theory of pattern formation in perception and action. Emphasis is placed on identifying movement features that constrain and inform action-perception and action-production processes. Two sources of visual information are examined, relative motion direction and relative phase. The visual perception perspective states that the topological features of relative motion between limbs and joints remains invariant across an actor's motion and therefore are available for pickup by an observer. Relative phase has been put forth as an informational variable that links perception to action within the coordination dynamics theory. A primary assumption of the coordination dynamics approach is that environmental information is meaningful only in terms of the behavior it modifies. Across a series of single limb tasks and bimanual tasks it is shown that the relative motion and relative phase between limbs and joints is picked up through visual processes and supports observational learning of motor skills. Moreover, internal estimations of motor skill proficiency and competency are linked to the informational content found in relative motion and relative phase. Thus, the chapter links action to perception and vice versa and also links cognitive evaluations to the coordination dynamics that support action-perception and action-production processes.

  10. Esophagus and spinal cord motion relative to GTV motion in four-dimensional CTs of lung cancer patients

    International Nuclear Information System (INIS)

    Weiss, Elisabeth; Wijesooriya, Krishni; Keall, Paul

    2008-01-01

    Respiration-related variations in the distance between the center of mass of gross tumor volume and both esophagus and spinal cord in the transversal plane were on average 3 mm (range 1-10 mm) and 2 mm (range 1-5 mm), respectively. Depending on the tumor location and treatment technique, variations might become important for treatment planning

  11. Phase transitions and molecular motions in [Ni(ND3)6](ClO4)2

    International Nuclear Information System (INIS)

    Migdal-Mikuli, Anna; Mikuli, Edward; Gorska, Natalia; Kowalska, Aneta; Ulanski, Jacek

    2004-01-01

    [Ni(ND 3 ) 6 ](ClO 4 ) 2 has three solid phases between 100 and 300 K. The phase transitions temperatures at heating (T C1 h =164.1 K and T C2 h =145.1 K) are shifted, as compared to the non-deuterated compound, towards the lower temperature of ca. 8 and 5 K, respectively. The ClO 4 - anions perform fast, picosecond, isotropic reorientation with the activation energy of 6.6 kJ mol -1 , which abruptly slow down at T C1 c phase transition, during sample cooling. The ND 3 ligands perform fast uniaxial reorientation around the Ni-N bond in all three detected phases, with the effective activation energy of 2.9 kJ mol -1 . The reorientational motion of ND 3 is only slightly distorted at the T C1 phase transition due to the dynamical orientational order-disorder process of anions. The low value of the activation energy for the ND 3 reorientation suggests that this reorientation undergoes the translation-rotation coupling, which makes the barrier to the rotation of the ammonia ligands not constant but fluctuating. The phase polymorphism and the dynamics of the molecular reorientations of the title compound are similar but not quite identical with these of the [Ni(NH 3 ) 6 ](ClO 4 ) 2

  12. Summary of ground motion prediction results for Nevada Test Site underground nuclear explosions related to the Yucca Mountain project

    International Nuclear Information System (INIS)

    Walck, M.C.

    1996-10-01

    This report summarizes available data on ground motions from underground nuclear explosions recorded on and near the Nevada Test Site, with emphasis on the ground motions recorded at stations on Yucca Mountain, the site of a potential high-level radioactive waste repository. Sandia National Laboratories, through the Weapons Test Seismic Investigations project, collected and analyzed ground motion data from NTS explosions over a 14-year period, from 1977 through 1990. By combining these data with available data from earlier, larger explosions, prediction equations for several ground motion parameters have been developed for the Test Site area for underground nuclear explosion sources. Also presented are available analyses of the relationship between surface and downhole motions and spectra and relevant crustal velocity structure information for Yucca Mountain derived from the explosion data. The data and associated analyses demonstrate that ground motions at Yucca Mountain from nuclear tests have been at levels lower than would be expected from moderate to large earthquakes in the region; thus nuclear explosions, while located relatively close, would not control seismic design criteria for the potential repository

  13. Summary of ground motion prediction results for Nevada Test Site underground nuclear explosions related to the Yucca Mountain project

    Energy Technology Data Exchange (ETDEWEB)

    Walck, M.C.

    1996-10-01

    This report summarizes available data on ground motions from underground nuclear explosions recorded on and near the Nevada Test Site, with emphasis on the ground motions recorded at stations on Yucca Mountain, the site of a potential high-level radioactive waste repository. Sandia National Laboratories, through the Weapons Test Seismic Investigations project, collected and analyzed ground motion data from NTS explosions over a 14-year period, from 1977 through 1990. By combining these data with available data from earlier, larger explosions, prediction equations for several ground motion parameters have been developed for the Test Site area for underground nuclear explosion sources. Also presented are available analyses of the relationship between surface and downhole motions and spectra and relevant crustal velocity structure information for Yucca Mountain derived from the explosion data. The data and associated analyses demonstrate that ground motions at Yucca Mountain from nuclear tests have been at levels lower than would be expected from moderate to large earthquakes in the region; thus nuclear explosions, while located relatively close, would not control seismic design criteria for the potential repository.

  14. Nuisance Flooding and Relative Sea-Level Rise: the Importance of Present-Day Land Motion.

    Science.gov (United States)

    Karegar, Makan A; Dixon, Timothy H; Malservisi, Rocco; Kusche, Jürgen; Engelhart, Simon E

    2017-09-11

    Sea-level rise is beginning to cause increased inundation of many low-lying coastal areas. While most of Earth's coastal areas are at risk, areas that will be affected first are characterized by several additional factors. These include regional oceanographic and meteorological effects and/or land subsidence that cause relative sea level to rise faster than the global average. For catastrophic coastal flooding, when wind-driven storm surge inundates large areas, the relative contribution of sea-level rise to the frequency of these events is difficult to evaluate. For small scale "nuisance flooding," often associated with high tides, recent increases in frequency are more clearly linked to sea-level rise and global warming. While both types of flooding are likely to increase in the future, only nuisance flooding is an early indicator of areas that will eventually experience increased catastrophic flooding and land loss. Here we assess the frequency and location of nuisance flooding along the eastern seaboard of North America. We show that vertical land motion induced by recent anthropogenic activity and glacial isostatic adjustment are contributing factors for increased nuisance flooding. Our results have implications for flood susceptibility, forecasting and mitigation, including management of groundwater extraction from coastal aquifers.

  15. Space Weather Influence on Relative Motion Control using the Touchless Electrostatic Tractor

    Science.gov (United States)

    Hogan, Erik A.; Schaub, Hanspeter

    2016-09-01

    With recent interest in the use of electrostatic forces for contactless tugging and attitude control of noncooperative objects for orbital servicing and active debris mitigation, the need for a method of remote charge control arises. In this paper, the use of a directed electron beam for remote charge control is considered in conjunction with the relative motion control. A tug vehicle emits an electron beam onto a deputy object, charging it negatively. At the same time, the tug is charged positively due to beam emission, resulting in an attractive electrostatic force. The relative position feedback control between the tug and the passive debris object is studied subject to the charging being created through an electron beam. Employing the nominal variations of the GEO space weather conditions across longitude slots, two electrostatic tugging strategies are considered. First, the electron beam current is adjusted throughout the orbit in order to maximize this resulting electrostatic force. This open-loop control strategy compensates for changes in the nominally expected local space weather environment in the GEO region to adjust for fluctuations in the local plasma return currents. Second, the performance impact of using a fixed electron beam current on the electrostatic tractor is studied if the same natural space weather variations are assumed. The fixed electron beam current shows a minor performance penalty (<5 %) while providing a much simpler implementation that does not require any knowledge of local space weather conditions.

  16. Relative motions of fragments of the split comets. I - A new approach

    Science.gov (United States)

    Sekanina, Z.

    1977-01-01

    A hypothesis is proposed which interprets the relative motion of two fragments of a split comet in terms of a slight difference between their effective solar attraction rather than in terms of the impulse imparted to them at separation. A quantitative version of this hypothesis is formulated by assuming that the difference in effective solar attraction varies with heliocentric distance in direct proportion to the actual solar attraction so that the ratio of the two forces is constant and equal to a measure of the relative effect between the two fragments under consideration. Results obtained using this formulation are compared with observational evidence on the split comets P/Biela, Liais 1860 I, 1882 II, P/Brooks 2 1889 V, Swift 1899 I, Kopff 1905 IV, Mellish 1915 II, Taylor 1916 I, 1947 XII, Wirtanen 1957 VI, Ikeya-Seki 1965 VIII, Kohoutek 1970 III, and West 1975n. The hypothesis is found to fail only in the case of comet Wirtanen 1957 VI. Some unusual phenomena associated with split comets are examined.

  17. Auditory event-related potentials associated with perceptual reversals of bistable pitch motion.

    Science.gov (United States)

    Davidson, Gray D; Pitts, Michael A

    2014-01-01

    Previous event-related potential (ERP) experiments have consistently identified two components associated with perceptual transitions of bistable visual stimuli, the "reversal negativity" (RN) and the "late positive complex" (LPC). The RN (~200 ms post-stimulus, bilateral occipital-parietal distribution) is thought to reflect transitions between neural representations that form the moment-to-moment contents of conscious perception, while the LPC (~400 ms, central-parietal) is considered an index of post-perceptual processing related to accessing and reporting one's percept. To explore the generality of these components across sensory modalities, the present experiment utilized a novel bistable auditory stimulus. Pairs of complex tones with ambiguous pitch relationships were presented sequentially while subjects reported whether they perceived the tone pairs as ascending or descending in pitch. ERPs elicited by the tones were compared according to whether perceived pitch motion changed direction or remained the same across successive trials. An auditory reversal negativity (aRN) component was evident at ~170 ms post-stimulus over bilateral fronto-central scalp locations. An auditory LPC component (aLPC) was evident at subsequent latencies (~350 ms, fronto-central distribution). These two components may be auditory analogs of the visual RN and LPC, suggesting functionally equivalent but anatomically distinct processes in auditory vs. visual bistable perception.

  18. The Relation Between Stretching Typology and Stretching Duration: The Effects on Range of Motion.

    Science.gov (United States)

    Thomas, Ewan; Bianco, Antonino; Paoli, Antonio; Palma, Antonio

    2018-04-01

    Different stretching strategies and protocols are widely used to improve flexibility or maintain health, acting on the muscle tendon-unit, in order to improve the range of motion (ROM) of the joints. This review aims to evaluate the current body of literature in order to understand the relation between stretching typology and ROM, and secondly to evaluate if a relation exists between stretching volume (either as a single training session, weekly training and weekly frequency) and ROM, after long-term stretching. Twenty-three articles were considered eligible and included in the quantitative synthesis. All stretching typologies showed ROM improvements over a long-term period, however the static protocols showed significant gains (p<0.05) when compared to the ballistic or PNF protocols. Time spent stretching per week seems fundamental to elicit range of movement improvements when stretches are applied for at least or more than 5 min, whereas the time spent stretching within a single session does not seem to have significant effects for ROM gains. Weekly frequency is positively associated to ROM. Evaluated data indicates that performing stretching at least 5 days a week for at least 5 min per week using static stretching may be beneficial to promote ROM improvements. © Georg Thieme Verlag KG Stuttgart · New York.

  19. On the relative rotational motion between rigid fibers and fluid in turbulent channel flow

    Energy Technology Data Exchange (ETDEWEB)

    Marchioli, C. [Department of Electrical, Management and Mechanical Engineering, University of Udine, 33100 Udine (Italy); Zhao, L., E-mail: lihao.zhao@ntnu.no [Department of Energy and Process Engineering, Norwegian University of Science and Technology, 7491 Trondheim (Norway); Andersson, H. I. [Department of Electrical, Management and Mechanical Engineering, University of Udine, 33100 Udine (Italy); Department of Energy and Process Engineering, Norwegian University of Science and Technology, 7491 Trondheim (Norway)

    2016-01-15

    In this study, the rotation of small rigid fibers relative to the surrounding fluid in wall-bounded turbulence is examined by means of direct numerical simulations coupled with Lagrangian tracking. Statistics of the relative (fiber-to-fluid) angular velocity, referred to as slip spin in the present study, are evaluated by modelling fibers as prolate spheroidal particles with Stokes number, St, ranging from 1 to 100 and aspect ratio, λ, ranging from 3 to 50. Results are compared one-to-one with those obtained for spherical particles (λ = 1) to highlight effects due to fiber length. The statistical moments of the slip spin show that differences in the rotation rate of fibers and fluid are influenced by inertia, but depend strongly also on fiber length: Departures from the spherical shape, even when small, are associated with an increase of rotational inertia and prevent fibers from passively following the surrounding fluid. An increase of fiber length, in addition, decouples the rotational dynamics of a fiber from its translational dynamics suggesting that the two motions can be modelled independently only for long enough fibers (e.g., for aspect ratios of order ten or higher in the present simulations)

  20. Focus: Two-dimensional electron-electron double resonance and molecular motions: The challenge of higher frequencies

    Energy Technology Data Exchange (ETDEWEB)

    Franck, John M.; Chandrasekaran, Siddarth; Dzikovski, Boris; Dunnam, Curt R.; Freed, Jack H., E-mail: jhf3@cornell.edu [Department of Chemistry and Chemical Biology and National Biomedical Center for Advanced ESR Technology, Cornell University, Ithaca, New York 14853 (United States)

    2015-06-07

    The development, applications, and current challenges of the pulsed ESR technique of two-dimensional Electron-Electron Double Resonance (2D ELDOR) are described. This is a three-pulse technique akin to 2D Exchange Nuclear Magnetic Resonance, but involving electron spins, usually in the form of spin-probes or spin-labels. As a result, it required the extension to much higher frequencies, i.e., microwaves, and much faster time scales, with π/2 pulses in the 2-3 ns range. It has proven very useful for studying molecular dynamics in complex fluids, and spectral results can be explained by fitting theoretical models (also described) that provide a detailed analysis of the molecular dynamics and structure. We discuss concepts that also appear in other forms of 2D spectroscopy but emphasize the unique advantages and difficulties that are intrinsic to ESR. Advantages include the ability to tune the resonance frequency, in order to probe different motional ranges, while challenges include the high ratio of the detection dead time vs. the relaxation times. We review several important 2D ELDOR studies of molecular dynamics. (1) The results from a spin probe dissolved in a liquid crystal are followed throughout the isotropic → nematic → liquid-like smectic → solid-like smectic → crystalline phases as the temperature is reduced and are interpreted in terms of the slowly relaxing local structure model. Here, the labeled molecule is undergoing overall motion in the macroscopically aligned sample, as well as responding to local site fluctuations. (2) Several examples involving model phospholipid membranes are provided, including the dynamic structural characterization of the boundary lipid that coats a transmembrane peptide dimer. Additionally, subtle differences can be elicited for the phospholipid membrane phases: liquid disordered, liquid ordered, and gel, and the subtle effects upon the membrane, of antigen cross-linking of receptors on the surface of plasma membrane

  1. Focus: Two-dimensional electron-electron double resonance and molecular motions: The challenge of higher frequencies

    International Nuclear Information System (INIS)

    Franck, John M.; Chandrasekaran, Siddarth; Dzikovski, Boris; Dunnam, Curt R.; Freed, Jack H.

    2015-01-01

    The development, applications, and current challenges of the pulsed ESR technique of two-dimensional Electron-Electron Double Resonance (2D ELDOR) are described. This is a three-pulse technique akin to 2D Exchange Nuclear Magnetic Resonance, but involving electron spins, usually in the form of spin-probes or spin-labels. As a result, it required the extension to much higher frequencies, i.e., microwaves, and much faster time scales, with π/2 pulses in the 2-3 ns range. It has proven very useful for studying molecular dynamics in complex fluids, and spectral results can be explained by fitting theoretical models (also described) that provide a detailed analysis of the molecular dynamics and structure. We discuss concepts that also appear in other forms of 2D spectroscopy but emphasize the unique advantages and difficulties that are intrinsic to ESR. Advantages include the ability to tune the resonance frequency, in order to probe different motional ranges, while challenges include the high ratio of the detection dead time vs. the relaxation times. We review several important 2D ELDOR studies of molecular dynamics. (1) The results from a spin probe dissolved in a liquid crystal are followed throughout the isotropic → nematic → liquid-like smectic → solid-like smectic → crystalline phases as the temperature is reduced and are interpreted in terms of the slowly relaxing local structure model. Here, the labeled molecule is undergoing overall motion in the macroscopically aligned sample, as well as responding to local site fluctuations. (2) Several examples involving model phospholipid membranes are provided, including the dynamic structural characterization of the boundary lipid that coats a transmembrane peptide dimer. Additionally, subtle differences can be elicited for the phospholipid membrane phases: liquid disordered, liquid ordered, and gel, and the subtle effects upon the membrane, of antigen cross-linking of receptors on the surface of plasma membrane

  2. Molecular Dynamics Simulations of the STAS Domains of Rat Prestin and Human Pendrin Reveal Conformational Motions in Conserved Flexible Regions

    Directory of Open Access Journals (Sweden)

    Alok K. Sharma

    2014-02-01

    Full Text Available Background: Molecular dynamics (MD simulations provide valuable information on the conformational changes that accompany time-dependent motions in proteins. The reported crystal structure of rat prestin (PDB 3LLO is remarkable for an α1-α2 inter-helical angle that differs substantially from those observed in bacterial STAS domains of SulP anion transporters and anti-sigma factor antagonists. However, NMR data on the rat prestin STAS domain in solution suggests dynamic features at or near the α1-α2 helical region (Pasqualetto et al JMB, 2010. We therefore performed a 100 ns 300K MD simulation study comparing the STAS domains of rat prestin and (modeled human pendrin, to explore possible conformational flexibility in the region of the α1 and α2 helices. Methods: The conformation of the loop missing in the crystal structure of rat prestin STAS (11 amino acids between helix α1 and strand β3 was built using Modeller. MD simulations were performed with GROMACSv4.6 using GROMOS96 53a6 all-atom force field. Results: A subset of secondary structured elements of the STAS domains exhibits significant conformational changes during the simulation time course. The conformationally perturbed segments include the majority of loop regions, as well as the α1 and α2 helices. A significant decrease in the α1-α2 inter-helical angle observed across the simulation trajectory leads to closer helical packing at their C-termini. The end-simulation conformations of the prestin and pendrin STAS domains, including their decreased α1-α2 inter-helical angles, resemble more closely the packing of corresponding helices in the STAS structures of bacterial SulP transporters Rv1739c and ychM, as well as those of the anti-sigma factor antagonists. Several structural segments of the modeled human pendrin STAS domain exhibit larger atomic motions and greater conformational deviations than the corresponding regions of rat prestin, predicting that the human pendrin STAS

  3. Singular perturbations of manifolds, with applications to the problem of motion in general relativity

    International Nuclear Information System (INIS)

    Kates, R.E.

    1979-01-01

    This thesis shows that a small body with possibly strong internal gravity moves through an empty region of a curved, and not necessarily asymptotically flat, external spacetime on an approximate geodesic. By approximate geodesic, the following is meant: Suppose the ratio epsilon = m/L 1 - where m is the body's mass and L is a curvature reference length of the external field - is a small parameter. Then the body's worldline deviates from a geodesic only by distances of at most THETA(epsilon) L over times of order L. The worldline is calculated directly from the Einstein field equation using a singular perturbation technique that has been generalized from the method of matched asymptotic expansions. The need for singular perturbation techniques has long been appreciated in fluid mechanics, where they are now standard procedure in problems in which the straightforward expansion in powers of a small parameter fails to give a correct qualitative picture. In part I of this thesis, singular perturbations on manifolds are formulated in a coordinate-free way suitable for treating problems in general relativity and other field theories. Most importantly for this thesis, the coordinate-free formulation of singular perturbations given in part I is essential for treatment of the problem of motion in part II

  4. Motion Of Bodies And Its Stability In The General Relativity Theory

    International Nuclear Information System (INIS)

    Ryabushko, Anton P.; Zhur, Tatyana A.; Nemanova, Inna T.

    2010-01-01

    This paper reviews the works by the Belarusian school investigators on relativistic motion and its stability for a system of bodies, each of which may have its own rotation, charge, and magnetic field of the dipole type. The corresponding Lagrangian and conservation laws are derived, several secular effects are predicted. For motion of bodies in the medium the secular effect of the periastron reverse shift is predicted as compared to the Mercury perihelion shift. The cause for the Pioneer anomaly is explained.

  5. Very long baseline interferometry applied to polar motion, relativity, and geodesy. Ph.D. thesis

    International Nuclear Information System (INIS)

    Ma, C.

    1978-01-01

    The causes and effects of diurnal polar motion are described. An algorithm was developed for modeling the effects on very long baseline interferometry observables. A selection was made between two three-station networks for monitoring polar motion. The effects of scheduling and the number of sources observed on estimated baseline errors are discussed. New hardware and software techniques in very long baseline interferometry are described

  6. Influence of local molecular motions on the determination of 1H-1H internuclear distances measured by 2D 1H spin-exchange experiments

    Czech Academy of Sciences Publication Activity Database

    Brus, Jiří; Petříčková, H.; Dybal, Jiří

    2003-01-01

    Roč. 23, č. 4 (2003), s. 183-197 ISSN 0926-2040 R&D Projects: GA AV ČR IAB4050203; GA AV ČR IAA4050208; GA ČR GA203/99/0067 Institutional research plan: CEZ:AV0Z4050913 Keywords : H-1-H-1 spin exchange * interatomic distances * molecular motion Subject RIV: CD - Macromolecular Chemistry Impact factor: 1.453, year: 2003

  7. Recent achievements in the Hamiltonian treatment of the dynamics and motion of compact binaries in general relativity

    International Nuclear Information System (INIS)

    Schäfer, Gerhard

    2014-01-01

    The current knowledge in the post-Newtonian (PN) dynamics and motion of non-spinning and spinning compact binaries will be presented based on the Arnowitt-Deser-Misner Hamiltonian approach to general relativity. The presentation will cover the binary dynamics with non-spinning components up to the 4PN order and for spinning binaries up to the next-to-next-to-leading order in the spin-orbit and spin-spin couplings. Radiation reaction will be treated for both non-spinning and spinning binaries. Explicit analytic expressions for the motion will be given, innermost stable circular orbits will be discussed

  8. Scientometrics of drug discovery efforts: pain-related molecular targets

    Directory of Open Access Journals (Sweden)

    Kissin I

    2015-07-01

    Full Text Available Igor KissinDepartment of Anesthesiology, Perioperative and Pain Medicine, Brigham and Women’s Hospital, Harvard Medical School, Boston, MA, USAAbstract: The aim of this study was to make a scientometric assessment of drug discovery efforts centered on pain-related molecular targets. The following scientometric indices were used: the popularity index, representing the share of articles (or patents on a specific topic among all articles (or patents on pain over the same 5-year period; the index of change, representing the change in the number of articles (or patents on a topic from one 5-year period to the next; the index of expectations, representing the ratio of the number of all types of articles on a topic in the top 20 journals relative to the number of articles in all (>5,000 biomedical journals covered by PubMed over a 5-year period; the total number of articles representing Phase I–III trials of investigational drugs over a 5-year period; and the trial balance index, a ratio of Phase I–II publications to Phase III publications. Articles (PubMed database and patents (US Patent and Trademark Office database on 17 topics related to pain mechanisms were assessed during six 5-year periods from 1984 to 2013. During the most recent 5-year period (2009–2013, seven of 17 topics have demonstrated high research activity (purinergic receptors, serotonin, transient receptor potential channels, cytokines, gamma aminobutyric acid, glutamate, and protein kinases. However, even with these seven topics, the index of expectations decreased or did not change compared with the 2004–2008 period. In addition, publications representing Phase I–III trials of investigational drugs (2009–2013 did not indicate great enthusiasm on the part of the pharmaceutical industry regarding drugs specifically designed for treatment of pain. A promising development related to the new tool of molecular targeting, ie, monoclonal antibodies, for pain treatment has not

  9. Overview of the relations earthquake source parameters and the specification of strong ground motion for design purposes

    International Nuclear Information System (INIS)

    Bernreuter, D.L.

    1977-08-01

    One of the most important steps in the seismic design process is the specification of the appropriate ground motion to be input into the design analysis. From the point-of-view of engineering design analysis, the important parameters are peak ground acceleration, spectral shape and peak spectral levels. In a few cases, ground displacement is a useful parameter. The earthquake is usually specified by giving its magnitude and either the epicentral distance or the distance of the closest point on the causitive fault to the site. Typically, the appropriate ground motion parameters are obtained using the specified magnitude and distance in equations obtained from regression analysis among the appropriate variables. Two major difficulties with such an approach are: magnitude is not the best parameter to use to define the strength of an earthquake, and little near-field data is available to establish the appropriate form for the attenuation of the ground motion with distance, source size and strength. These difficulties are important for designing a critical facility; i.e., one for which a very low risk of exceeding the design ground motion is required. Examples of such structures are nuclear power plants, schools and hospitals. for such facilities, a better understanding of the relation between the ground motion and the important earthquake source parameters could be very useful for several reasons

  10. Motion of the Rivera plate since 10 Ma relative to the Pacific and North American plates and the mantle

    Science.gov (United States)

    DeMets, Charles; Traylen, Stephen

    2000-03-01

    To better understand the influence of Rivera plate kinematics on the geodynamic evolution of western Mexico, we use more than 1400 crossings of seafloor spreading magnetic lineations along the Pacific-Rivera rise and northern Mathematician ridge to solve for rotations of the Rivera plate relative to the underlying mantle and the Pacific and North American plates at 14 times since 9.9 Ma. Our comparison of magnetic anomaly crossings from the undeformed Pacific plate to their counterparts on the Rivera plate indicates that significant areas of the Rivera plate have deformed since 9.9 Ma. Dextral shear along the southern edge of the plate from 3.3-2.2 Ma during a regional plate boundary reorganization deformed the Rivera plate farther into its interior than previously recognized. In addition, seafloor located north of two rupture zones within the Rivera plate sutured to North America after 1.5 Ma. Anomaly crossings from these two deformed regions thus cannot be used to reconstruct motion of the Rivera plate. Finite rotations that best reconstruct Pacific plate anomaly crossings onto their undeformed counterparts on the Rivera plate yield stage spreading rates that decrease gradually by 10% between 10 and 3.6 Ma, decrease rapidly by 20% after ˜3.6 Ma, and recover after 1 Ma. The slowdown in Pacific-Rivera seafloor spreading at 3.6 Ma coincided with the onset of dextral shear across the then-incipient southern boundary of the Rivera plate with the Pacific plate. The available evidence indicates that the Rivera plate has been an independent microplate since at least 10 Ma, contrary to published assertions that it fragmented from the Cocos plate at ˜5 Ma. Motion of the Rivera plate relative to North America has changed significantly since 10 Ma, in concert with significant changes in Pacific-Rivera motion. A significant and robust feature of Rivera-North America motion not previously recognized is the cessation of margin-normal convergence and thus subduction from 2

  11. A Simple Time Domain Collocation Method to Precisely Search for the Periodic Orbits of Satellite Relative Motion

    Directory of Open Access Journals (Sweden)

    Xiaokui Yue

    2014-01-01

    Full Text Available A numerical approach for obtaining periodic orbits of satellite relative motion is proposed, based on using the time domain collocation (TDC method to search for the periodic solutions of an exact J2 nonlinear relative model. The initial conditions for periodic relative orbits of the Clohessy-Wiltshire (C-W equations or Tschauner-Hempel (T-H equations can be refined with this approach to generate nearly bounded orbits. With these orbits, a method based on the least-squares principle is then proposed to generate projected closed orbit (PCO, which is a reference for the relative motion control. Numerical simulations reveal that the presented TDC searching scheme is effective and simple, and the projected closed orbit is very fuel saving.

  12. Attenuation relations of strong motion in Japan using site classification based on predominant period

    International Nuclear Information System (INIS)

    Toshimasa Takahashi; Akihiro Asano; Hidenobu Okada; Kojiro Irikura; Zhao, J.X.; Zhang Jian; Thio, H.K.; Somerville, P.G.; Yasuhiro Fukushima; Yoshimitsu Fukushima

    2005-01-01

    A spectral acceleration attenuation model for Japan is presented. The data set includes a very large number of strong ground motion records up to the end of 2003. Site class terms, instead of individual site correction terms, are used based on a recent study on site classification for strong motion recording stations in Japan. By using site class terms, tectonic source type effects are identified and accounted in the present model. Effects of faulting mechanism for crustal earthquakes are also accounted for. For crustal and interface earthquakes, a simple form of attenuation model is able to capture the main strong motion characteristics and achieves unbiased estimates. For subduction slab events, a simple distance modification factor is employed to achieve plausible and unbiased prediction. Effects of source depth, tectonic source type, and faulting mechanism for crustal earthquakes are significant. (authors)

  13. An encoder for the measurement of relative motions between two objects

    International Nuclear Information System (INIS)

    Saro, M.

    1995-01-01

    The motion encoder is composed of a measuring rule, mounted on one of the object, which bears at least two tracks (X, Y) with multiple simple marks distributed following a similar pattern on the two tracks, and at least one specific mark (each mark limit is defining a step variation on the rule), and at least two mark readers, mounted on the second object, each one associated to a track. Data processing means are used to estimate distance and motion direction. Application to robotics and metrology

  14. Detection of Side Chain Rearrangements Mediating the Motions of Transmembrane Helices in Molecular Dynamics Simulations of G Protein-Coupled Receptors

    Directory of Open Access Journals (Sweden)

    Zied Gaieb

    Full Text Available Structure and dynamics are essential elements of protein function. Protein structure is constantly fluctuating and undergoing conformational changes, which are captured by molecular dynamics (MD simulations. We introduce a computational framework that provides a compact representation of the dynamic conformational space of biomolecular simulations. This method presents a systematic approach designed to reduce the large MD simulation spatiotemporal datasets into a manageable set in order to guide our understanding of how protein mechanics emerge from side chain organization and dynamic reorganization. We focus on the detection of side chain interactions that undergo rearrangements mediating global domain motions and vice versa. Side chain rearrangements are extracted from side chain interactions that undergo well-defined abrupt and persistent changes in distance time series using Gaussian mixture models, whereas global domain motions are detected using dynamic cross-correlation. Both side chain rearrangements and global domain motions represent the dynamic components of the protein MD simulation, and are both mapped into a network where they are connected based on their degree of coupling. This method allows for the study of allosteric communication in proteins by mapping out the protein dynamics into an intramolecular network to reduce the large simulation data into a manageable set of communities composed of coupled side chain rearrangements and global domain motions. This computational framework is suitable for the study of tightly packed proteins, such as G protein-coupled receptors, and we present an application on a seven microseconds MD trajectory of CC chemokine receptor 7 (CCR7 bound to its ligand CCL21. Keywords: Molecular dynamics, Change-point detection, Side chain reorganization, Helical domain motion, Intramolecular network, Membrane proteins, GPCR, GPCR computational modeling, GPCR allostery

  15. Internal motion time scales of a small, highly stable and disulfide-rich protein: A 15N, 13C NMR and molecular dynamics study

    International Nuclear Information System (INIS)

    Guenneugues, Marc; Gilquin, Bernard; Wolff, Nicolas; Menez, Andre; Zinn-Justin, Sophie

    1999-01-01

    Motions of the backbone CαHα and threonine CβHβ bonds of toxin α were investigated using natural abundance 13C NMR and molecular dynamics. Measurement of the 13C longitudinal and transverse relaxation rates employed ACCORDION techniques together with coherence selection by pulsed field gradients and sensitivity enhancement through the use of preservation of equivalent pathway, thus allowing a considerable reduction of the required spectrometer time. 13C R1, R2, 1H → 13C NOE were obtained, as well as the variations of R1ρ(90 deg.) as a function of the rf field strength. These data were compared to those recorded by 1H and 15N NMR on a labelled sample of the toxin [Guenneugues et al. (1997) Biochemistry, 36, 16097-16108]. Both sets of data showed that picosecond to nanosecond time scale motions are well correlated to the secondary structure of the protein. This was further reinforced by the analysis of a 1 ns molecular dynamics simulation in water. Several CαHα and threonine CβHβ experimentally exhibit fast motions with a correlation time longer than 500 ps, that cannot be sampled along the simulation. In addition, the backbone exhibits motions on the microsecond to millisecond time scale on more than half of its length. Thus, toxin α, a highly stable protein (Tm=75 deg. C at acidic pH) containing 61 amino acids and 4 disulfides, shows important internal motions on time scales ranging from 0.1-0.5 ps, to 10-100 ps, 1 ns, and about 30 μs to 10 ms

  16. On the motion od the Caribbean relative to South-America: New results from GPS geodesy 1999-2012

    Science.gov (United States)

    De La Rosa, R.; Marquez, J.; Bravo, M.; Madriz, Y.; Mencin, D.; Wesnousky, S. G.; Molnar, P. H.; Bilham, R.; Perez, O. J.

    2013-05-01

    Our previous (1994-2006) collaborative GPS studies in southern Caribbean and northern South-America (SA) show that along its southern boundary in north-central and northeastern Venezuela (Vzla) the Caribbean plate (CP) slips easterly at ~20 mm/a relative to SA, and that in northwestern South-America slip-partitioning takes place resulting in 12 mm/a of dextral motion across the Venezuelan Andes, ~6 mm/a of which occur along the main trace of the NE-trending Bocono fault, and the rest is taken up by SE-subduction of the CP beneath northwestern SA. A series of new velocity vectors obtained in the region from GPS geodesy in 1999-2012 and their corresponding elastic modelings shows that in north-central Vzla part (~3 mm/a) of the C-SA relative dextral shear is taken up by the east-trending continental La Victoria fault, which runs ~50 kms south of San Sebastian fault off-shore and is sub-parallel to it, the later taken up the rest of the motion. The velocity we find for Aruba Is (~20 mm/y due ~east) is consistent with the motion predicted by the Euler pole (61,9° N; 75,7 °W; ω = 0,229 °/Ma) we previously calculated to describe the C-SA relative plate motion. New velocity vectors obtained across the Venezuelan Andes are consistent with a modeled surface velocity due to 12 mm/a of dextral shear below a locking depth of 14 km on one or more vertical N50°E striking faults located within the 100-km wide Andean ranges. The Andes also show a horizontal convergence rate of 2 to 4 mm/a suggesting an uplift rate of ~1.7 mm/a if thrust motion takes place on shallowly dipping faults parallel to the Andes.

  17. Comparison of impact forces, accelerations and ankle range of motion in surfing-related landing tasks.

    Science.gov (United States)

    Lundgren, Lina E; Tran, Tai T; Nimphius, Sophia; Raymond, Ellen; Secomb, Josh L; Farley, Oliver R L; Newton, Robert U; Sheppard, Jeremy M

    2016-01-01

    This study aimed to describe the impact forces, accelerations and ankle range of motion in five different landing tasks that are used in training and testing for competitive surfing athletes, to assist coaches in the prescription of landing task progression and monitoring training load. Eleven competitive surfing athletes aged 24 ± 7 years participated, and inertial motion sensors were fixed to the anterior aspect of the feet, mid-tibial shafts, sacrum and eighth thoracic vertebrae on these athletes. Three tasks were performed landing on force plates and two tasks in a modified gymnastics set-up used for land-based aerial training. Peak landing force, resultant peak acceleration and front and rear side ankle dorsiflexion ranges of motion during landing were determined. The peak acceleration was approximately 50% higher when performing aerial training using a mini-trampoline and landing on a soft-density foam board, compared to a similar landing off a 50 cm box. Furthermore, the ankle ranges of motion during the gymnastic type landings were significantly lower than the other landing types (P ≤ 0.05 and P ≤ 0.001), for front and rear sides, respectively. Conclusively, increased task complexity and specificity of the sport increased the tibial peak acceleration, indicating greater training load.

  18. Impaired heel to toe progression during gait is related to reduced ankle range of motion in people with Multiple Sclerosis.

    Science.gov (United States)

    Psarakis, Michael; Greene, David; Moresi, Mark; Baker, Michael; Stubbs, Peter; Brodie, Matthew; Lord, Stephen; Hoang, Phu

    2017-11-01

    Gait impairment in people with Multiple Sclerosis results from neurological impairment, muscle weakness and reduced range of motion. Restrictions in passive ankle range of motion can result in abnormal heel-to-toe progression (weight transfer) and inefficient gait patterns in people with Multiple Sclerosis. The purpose of this study was to determine the associations between gait impairment, heel-to-toe progression and ankle range of motion in people with Multiple Sclerosis. Twelve participants with Multiple Sclerosis and twelve healthy age-matched participants were assessed. Spatiotemporal parameters of gait and individual footprint data were used to investigate group differences. A pressure sensitive walkway was used to divide each footprint into three phases (contact, mid-stance, propulsive) and calculate the heel-to-toe progression during the stance phase of gait. Compared to healthy controls, people with Multiple Sclerosis spent relatively less time in contact phase (7.8% vs 25.1%) and more time in the mid stance phase of gait (57.3% vs 33.7%). Inter-limb differences were observed in people with Multiple Sclerosis between the affected and non-affected sides for contact (7.8% vs 15.3%) and mid stance (57.3% and 47.1%) phases. Differences in heel-to-toe progression remained significant after adjusting for walking speed and were correlated with walking distance and ankle range of motion. Impaired heel-to-toe progression was related to poor ankle range of motion in people with Multiple Sclerosis. Heel-to-toe progression provided a sensitive measure for assessing gait impairments that were not detectable using standard spatiotemporal gait parameters. Copyright © 2017 Elsevier Ltd. All rights reserved.

  19. Transient severe motion artifact related to gadoxetate disodium-enhanced liver MRI. Frequency and risk evaluation at a German institution

    Energy Technology Data Exchange (ETDEWEB)

    Well, Lennart; Rausch, Vanessa Hanna; Adam, Gerhard; Henes, Frank Oliver; Bannas, Peter [Univ. Medical Center Hamburg-Eppendorf, Hamburg (Germany). Dept. for Diagnostic and Interventional Radiology and Nuclear Medicine

    2017-07-15

    Varying frequencies (5 - 18%) of contrast-related transient severe motion (TSM) imaging artifacts during gadoxetate disodium-enhanced arterial phase liver MRI have been reported. Since previous reports originated from the United States and Japan, we aimed to determine the frequency of TSM at a German institution and to correlate it with potential risk factors and previously published results. Two age- and sex-matched groups were retrospectively selected (gadoxetate disodium n = 89; gadobenate dimeglumine n = 89) from dynamic contrast-enhanced MRI examinations in a single center. Respiratory motion-related artifacts in non-enhanced and dynamic phases were assessed independently by two readers blinded to contrast agents on a 4-point scale. Scores of ≥3 were considered as severe motion artifacts. Severe motion artifacts in arterial phases were considered as TSM if scores in all other phases were < 3. Potential risk factors for TSM were evaluated via logistic regression analysis. For gadoxetate disodium, the mean score for respiratory motion artifacts was significantly higher in the arterial phase (2.2 ± 0.9) compared to all other phases (1.6 ± 0.7) (p < 0.05). The frequency of TSM was significantly higher with gadoxetate disodium (n = 19; 21.1 %) than with gadobenate dimeglumine (n = 1; 1.1%) (p < 0.001). The frequency of TSM at our institution is similar to some, but not all previously published findings. Logistic regression analysis did not show any significant correlation between TSM and risk factors (all p>0.05). We revealed a high frequency of TSM after injection of gadoxetate disodium at a German institution, substantiating the importance of a diagnosis-limiting phenomenon that so far has only been reported from the United States and Japan. In accordance with previous studies, we did not identify associated risk factors for TSM.

  20. Model development of SAS4A and investigation on the initiating phase consequences in LMFRs related with material motion

    International Nuclear Information System (INIS)

    Niwa, H.

    1994-01-01

    This paper focuses on an analytical aspect of the initiating phase scenario and consequences of postulated core disruptive accident in liquid-metal-cooled fast breeder reactors. An analytical code, SAS4A, has been developed at Argonne National Laboratory, and introduced to PNC. Improvement and validation effort have been performed for the mixed-oxide version of SAS4A at PNC. This paper describes firstly recent development of SAS4A's material motion related models briefly. A fission gas mass transfer model and solid fuel chunk jamming model are developed and introduced to SAS4A, and validated using CABRI-2 E13 experimental data. Secondly, an investigation of the mechanism of energetics in the initiating phase of an unprotected loss-of-flow accident has identified major control parameters which are intimately related to core design parameters and material motion phenomena. (author)

  1. Relating lateralization of eye use to body motion in the avoidance behavior of the chameleon (Chamaeleo chameleon).

    Science.gov (United States)

    Lustig, Avichai; Ketter-Katz, Hadas; Katzir, Gadi

    2013-01-01

    Lateralization is mostly analyzed for single traits, but seldom for two or more traits while performing a given task (e.g. object manipulation). We examined lateralization in eye use and in body motion that co-occur during avoidance behaviour of the common chameleon, Chamaeleo chameleon. A chameleon facing a moving threat smoothly repositions its body on the side of its perch distal to the threat, to minimize its visual exposure. We previously demonstrated that during the response (i) eye use and body motion were, each, lateralized at the tested group level (N = 26), (ii) in body motion, we observed two similar-sized sub-groups, one exhibiting a greater reduction in body exposure to threat approaching from the left and one--to threat approaching from the right (left- and right-biased subgroups), (iii) the left-biased sub-group exhibited weak lateralization of body exposure under binocular threat viewing and none under monocular viewing while the right-biased sub-group exhibited strong lateralization under both monocular and binocular threat viewing. In avoidance, how is eye use related to body motion at the entire group and at the sub-group levels? We demonstrate that (i) in the left-biased sub-group, eye use is not lateralized, (ii) in the right-biased sub-group, eye use is lateralized under binocular, but not monocular viewing of the threat, (iii) the dominance of the right-biased sub-group determines the lateralization of the entire group tested. We conclude that in chameleons, patterns of lateralization of visual function and body motion are inter-related at a subtle level. Presently, the patterns cannot be compared with humans' or related to the unique visual system of chameleons, with highly independent eye movements, complete optic nerve decussation and relatively few inter-hemispheric commissures. We present a model to explain the possible inter-hemispheric differences in dominance in chameleons' visual control of body motion during avoidance.

  2. Relating lateralization of eye use to body motion in the avoidance behavior of the chameleon (Chamaeleo chameleon.

    Directory of Open Access Journals (Sweden)

    Avichai Lustig

    Full Text Available Lateralization is mostly analyzed for single traits, but seldom for two or more traits while performing a given task (e.g. object manipulation. We examined lateralization in eye use and in body motion that co-occur during avoidance behaviour of the common chameleon, Chamaeleo chameleon. A chameleon facing a moving threat smoothly repositions its body on the side of its perch distal to the threat, to minimize its visual exposure. We previously demonstrated that during the response (i eye use and body motion were, each, lateralized at the tested group level (N = 26, (ii in body motion, we observed two similar-sized sub-groups, one exhibiting a greater reduction in body exposure to threat approaching from the left and one--to threat approaching from the right (left- and right-biased subgroups, (iii the left-biased sub-group exhibited weak lateralization of body exposure under binocular threat viewing and none under monocular viewing while the right-biased sub-group exhibited strong lateralization under both monocular and binocular threat viewing. In avoidance, how is eye use related to body motion at the entire group and at the sub-group levels? We demonstrate that (i in the left-biased sub-group, eye use is not lateralized, (ii in the right-biased sub-group, eye use is lateralized under binocular, but not monocular viewing of the threat, (iii the dominance of the right-biased sub-group determines the lateralization of the entire group tested. We conclude that in chameleons, patterns of lateralization of visual function and body motion are inter-related at a subtle level. Presently, the patterns cannot be compared with humans' or related to the unique visual system of chameleons, with highly independent eye movements, complete optic nerve decussation and relatively few inter-hemispheric commissures. We present a model to explain the possible inter-hemispheric differences in dominance in chameleons' visual control of body motion during avoidance.

  3. The molecular genetic basis of age-related macular degeneration ...

    Indian Academy of Sciences (India)

    2009-12-10

    Dec 10, 2009 ... this review, we have provided an overview on the underlying molecular genetic mechanisms in AMD worldwide and highlight ..... eases like diabetes (Scott et al. ...... 2006 Systematic review and meta-analysis of.

  4. {sup 252}Cf spontaneous prompt fission neutron spectrum measured at 0 degree and 180 degree relative to the fragment motion

    Energy Technology Data Exchange (ETDEWEB)

    Shanglian, Bao; Jinquan, Liu [Beijing Univ., BJ (China); Batenkov, O I; Blinov, M V; Smirnov, S N [V.G. Khlopin Radium Institute, ST. Petersburg (Russian Federation)

    1994-09-01

    The {sup 252}Cf spontaneous prompt fission neutron spectrum at 0 degree and 180 degree relative to the motion direction of corresponding fission fragments was measured. High angular resolution for fragment measurements and high energy resolution for neutron measurements were obtained using multi-parameter TOF spectrometer. The results showed that there is a symmetric distribution of `forward` and `backward` for low energy in C.M.S. neutrons, which was an evidence of nonequilibrium neutrons existed in fission process.

  5. Empirical ground-motion relations for subduction-zone earthquakes and their application to Cascadia and other regions

    Science.gov (United States)

    Atkinson, G.M.; Boore, D.M.

    2003-01-01

    Ground-motion relations for earthquakes that occur in subduction zones are an important input to seismic-hazard analyses in many parts of the world. In the Cascadia region (Washington, Oregon, northern California, and British Columbia), for example, there is a significant hazard from megathrust earthquakes along the subduction interface and from large events within the subducting slab. These hazards are in addition to the hazard from shallow earthquakes in the overlying crust. We have compiled a response spectra database from thousands of strong-motion recordings from events of moment magnitude (M) 5-8.3 occurring in subduction zones around the world, including both interface and in-slab events. The 2001 M 6.8 Nisqually and 1999 M 5.9 Satsop earthquakes are included in the database, as are many records from subduction zones in Japan (Kyoshin-Net data), Mexico (Guerrero data), and Central America. The size of the database is four times larger than that available for previous empirical regressions to determine ground-motion relations for subduction-zone earthquakes. The large dataset enables improved determination of attenuation parameters and magnitude scaling, for both interface and in-slab events. Soil response parameters are also better determined by the data. We use the database to develop global ground-motion relations for interface and in-slab earthquakes, using a maximum likelihood regression method. We analyze regional variability of ground-motion amplitudes across the global database and find that there are significant regional differences. In particular, amplitudes in Cascadia differ by more than a factor of 2 from those in Japan for the same magnitude, distance, event type, and National Earthquake Hazards Reduction Program (NEHRP) soil class. This is believed to be due to regional differences in the depth of the soil profile, which are not captured by the NEHRP site classification scheme. Regional correction factors to account for these differences are

  6. Motion-related resource allocation in dynamic wireless visual sensor network environments.

    Science.gov (United States)

    Katsenou, Angeliki V; Kondi, Lisimachos P; Parsopoulos, Konstantinos E

    2014-01-01

    This paper investigates quality-driven cross-layer optimization for resource allocation in direct sequence code division multiple access wireless visual sensor networks. We consider a single-hop network topology, where each sensor transmits directly to a centralized control unit (CCU) that manages the available network resources. Our aim is to enable the CCU to jointly allocate the transmission power and source-channel coding rates for each node, under four different quality-driven criteria that take into consideration the varying motion characteristics of each recorded video. For this purpose, we studied two approaches with a different tradeoff of quality and complexity. The first one allocates the resources individually for each sensor, whereas the second clusters them according to the recorded level of motion. In order to address the dynamic nature of the recorded scenery and re-allocate the resources whenever it is dictated by the changes in the amount of motion in the scenery, we propose a mechanism based on the particle swarm optimization algorithm, combined with two restarting schemes that either exploit the previously determined resource allocation or conduct a rough estimation of it. Experimental simulations demonstrate the efficiency of the proposed approaches.

  7. Transient Severe Motion Artifact Related to Gadoxetate Disodium-Enhanced Liver MRI: Frequency and Risk Evaluation at a German Institution.

    Science.gov (United States)

    Well, Lennart; Rausch, Vanessa Hanna; Adam, Gerhard; Henes, Frank Oliver; Bannas, Peter

    2017-07-01

    Purpose  Varying frequencies (5 - 18 %) of contrast-related transient severe motion (TSM) imaging artifacts during gadoxetate disodium-enhanced arterial phase liver MRI have been reported. Since previous reports originated from the United States and Japan, we aimed to determine the frequency of TSM at a German institution and to correlate it with potential risk factors and previously published results. Materials and Methods  Two age- and sex-matched groups were retrospectively selected (gadoxetate disodium n = 89; gadobenate dimeglumine n = 89) from dynamic contrast-enhanced MRI examinations in a single center. Respiratory motion-related artifacts in non-enhanced and dynamic phases were assessed independently by two readers blinded to contrast agents on a 4-point scale. Scores of ≥ 3 were considered as severe motion artifacts. Severe motion artifacts in arterial phases were considered as TSM if scores in all other phases were risk factors for TSM were evaluated via logistic regression analysis. Results  For gadoxetate disodium, the mean score for respiratory motion artifacts was significantly higher in the arterial phase (2.2 ± 0.9) compared to all other phases (1.6 ± 0.7) (p risk factors (all p > 0.05). Conclusion  We revealed a high frequency of TSM after injection of gadoxetate disodium at a German institution, substantiating the importance of a diagnosis-limiting phenomenon that so far has only been reported from the United States and Japan. In accordance with previous studies, we did not identify associated risk factors for TSM. Key Points:   · Gadoxetate disodium causes TSM in a relevant number of patients.. · The frequency of TSM is similar between the USA, Japan and Germany.. · To date, no validated risk factors for TSM could be identified.. Citation Format · Well L, Rausch VH, Adam G et al. Transient Severe Motion Artifact Related to Gadoxetate Disodium-Enhanced Liver MRI: Frequency and Risk Evaluation at a

  8. Isla Guadalupe, Mexico (GUAX, SCIGN/PBO) a Relative Constraint for California Borderland and Northern Gulf of California Motions.

    Science.gov (United States)

    Gonzalez-Garcia, J. J.

    2004-12-01

    Using ITRF2000 as a common reference frame link, I analyzed survey mode and permanent GPS published results, together with SOPAC public data and results (http://sopac.ucsd.edu), in order to evaluate relative present day crustal deformation in California and northern Mexico. The crustal velocity field of Mexico (Marquez-Azua and DeMets, 2003) obtained from continuous GPS measurements conducted by Instituto Nacional de Geografia e Informatica (INEGI) for 1993-2001, was partially used. The preferred model for an instantaneous rigid motion between North-America and Pacific plates (NAPA), is obtained using results of Isla Guadalupe GPS surveys (1991-2002) giving a new constraint for Pacific plate (PA) motion (Gonzalez-Garcia et al., 2003). It produces an apparent reduction of 1 mm/yr in the absolute motion in the border zone between PA and North-America (NA) plates in this region, as compared with other GPS models (v.g. Prawirodirdjo and Bock, 2004); and it is 3 mm/yr higher than NNRNUVEL-1A. In the PA reference frame, westernmost islands from San Francisco (FARB), Los Angeles (MIG1), and Ensenada (GUAX); give current residuals of 1.8, 1.7 and 0.9 mm/yr and azimuths that are consistent with local tectonic setting, respectively. In the NA reference frame, besides the confirmation of 2 mm/yr E-W extension for the southern Basin and Range province in northern Mexico; a present day deformation rate of 40.5 mm/yr between San Felipe, Baja California (SFBC) and Hermosillo, Sonora, is obtained. This rate agrees with a 6.3 to 6.7 Ma for the "initiation of a full sea-floor spreading" in the northern Gulf of California. SFBC has a 7 mm/yr motion in the PA reference frame, giving then, a full NAPA theoretical absolute motion of 47.5 mm/yr. For Puerto Penasco, Sonora (PENA) there is a NAPA motion of 46.2 mm/yr and a residual of 1.2 mm/yr in the NA reference frame, this site is located only 75 km to the northeast from the Wagner basin center. For southern Isla Guadalupe (GUAX) there

  9. Constant of motion for a one-dimensional and nth-order autonomous system and its relation to the Lagrangian and Hamiltonian

    International Nuclear Information System (INIS)

    Lopez, G.

    1993-12-01

    A constant of motion is defined for a one-dimensional and nth-differenital-order autonomous svstem. A generalization of the Legendre transformation is given that allows one to obtain a relation among the constant of motion the Lagrangian, and the Hamiltonian. The approach is used to obtain the constant of motion associated with the nonrelativistic third-differential-order Abraham-Lorentz radiation damping equation

  10. GOLD CLUSTER LABELS AND RELATED TECHNOLOGIES IN MOLECULAR MORPHOLOGY.

    Energy Technology Data Exchange (ETDEWEB)

    HAINFELD,J.F.; POWELL,R.D.

    2004-02-04

    Although intensely colored, even the largest colloidal gold particles are not, on their own, sufficiently colored for routine use as a light microscopy stain: only with very abundant antigens or with specialized illumination methods can bound gold be seen. Colloidal gold probes were developed primarily as markers for electron microscopy, for which their very high electron density and selectivity for narrow size distributions when prepared in different ways rendered them highly suited. The widespread use of gold labeling for light microscopy was made possible by the introduction of autometallographic enhancement methods. In these processes, the bound gold particles are exposed to a solution containing metal ions and a reducing agent; they catalyze the reduction of the ions, resulting in the deposition of additional metal selectively onto the particles. On the molecular level, the gold particles are enlarged up to 30-100 nm in diameter; on the macroscale level, this results in the formation of a dark stain in regions containing bound gold particles, greatly increasing visibility and contrast. The applications of colloidal gold have been described elsewhere in this chapter, we will focus on the use of covalently linked cluster complexes of gold and other metals. A gold cluster complex is a discrete molecular coordination compound comprising a central core, or ''cluster'' of electron-dense metal atoms, ligated by a shell of small organic molecules (ligands), which are linked to the metal atoms on the surface of the core. This structure gives clusters several important advantages as labels. The capping of the metal surface by ligands prevents non-specific binding to cell and tissue components, which can occur with colloidal gold. Cluster compounds are more stable and may be used under a wider range of conditions. Unlike colloidal gold, clusters do not require additional macromolecules such as bovine serum albumin or polyethylene glycol for

  11. Dielectric relaxation spectra of liquid crystals in relation to molecular structure

    International Nuclear Information System (INIS)

    Wrobel, S.

    1986-07-01

    The dielectric spectra obtained for some members of two homologous series, i.e. for di-alkoxyazoxybenzenes and penthyl-alkoxythiobenzoates, are discussed qualitatively on the basis of the Nordio-Rigatti-Segre diffusion model. It is additionally assumed that the molecular reorientations take place about the principal axes of the inertia tensor. The distribution of correlation times, which is strongly temperature dependent in the vicinity of the clearing point, is interpreted as being caused by fluctuations of the principal axes frame which are due to conformation changes inside the end chains. The Bauer equation is used to describe both principal molecular reorientations, i.e. the reorientations about the long and short axis, observed in liquid crystalline structure by means of dielectric relaxation methods. The energies and entropies of activation have been computed for both principal reorientations. The differences between the high frequency limit of the dielectric permittivity and the refractive index squared of liquid crystals are explained in terms of two librational motions of the molecules observed by other experimental techniques, viz. far infra-red, Raman and inelastic neutron scattering spectroscopies, and found in this work on the basis of dielectrically measured energy barriers. It has been shown qualitatively that intramolecular libratory motions greatly effect the high frequency dielectric spectrum. Finally, molecular motions in liquid crystals are divided into two types: coherent and incoherent. 127 refs., 56 figs., 17 tabs. (author)

  12. Practical Photoemission Characterization Of Molecular Films And Related Interfaces

    International Nuclear Information System (INIS)

    Ivanco, J.

    2013-01-01

    Even though the term ‘organic electronics’ evokes rather organic devices, a significant part of its scope deals with physical properties of ‘active elements’ such as organic films and interfaces. Examination of the film growth and the evolution of the interface formation are particularly needful for the understanding a mechanism controlling their final properties. Performing such experiments in an ultra-high vacuum allows both to ‘stretch’ the time scale for pseudo real-time observations and to control properties of the probed systems on the atomic level. Photoemission technique probes directly electronic and chemical structure and it has thereby established among major tools employed in the field.This review primarily focuses to electronic properties of oligomeric molecular films and their interfaces examined by photoemission. Yet, it does not aspire after a complete overview on the topic; it rather aims to otherwise standard issues encountered at the photoemission characterization and analysis of the organic materials, though requiring to consider particularities of molecular films in terms of the growth, electronic properties, and their characterization and analysis. In particular, the fundamental electronic parameters of molecular films such as the work function, the ionization energy, and the interfacial energy level alignment, and their interplay, will be pursued with considering often neglected influence of the molecular orientation. Further, the implication on the band bending in molecular films based on photoemission characterization, and a model on the driving mechanism for the interfacial energy level alignment will be addressed. (author)

  13. Investigation of the molecular motions in Cd(NH/sub 3/)/sub 6/Cl/sub 2/ by NMR spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Pislewski, N [Polska Akademia Nauk, Poznan. Inst. Fizyki Molekularnej; Ferris, L T.H. [University Coll., London (UK). Dept. of Chemistry

    1981-07-01

    NMR results are reported for intramolecular motion in Cd(NH/sub 3/)/sub 6/Cl/sub 2/. Below the 180 K phase transition, the motion of the NH/sub 3/ groups is well described by the Hilt-Hubbard theory with an activation energy of 9.63 kJ/mol. The inter-proton distance in NH/sub 3/ determined from relaxational measurements is 0.161 nm. Several K below and above the transition point, two phases with different spin-lattice relaxation times coexist.

  14. Aspects of the motion of extended bodies in the post-Newtonian approximation to general relativity

    Science.gov (United States)

    Racine, Etienne

    We give a surface integral derivation of post-1-Newtonian translational equations of motion for a system of arbitrarily structured bodies, including the coupling to all the bodies' mass and current multipole moments. The explicit form of these translational equations of motion has not been previously derived. The derivation requires only that the post-1-Newtonian vacuum field equations are satisfied in weak-field regions between the bodies; the bodies' internal gravity can be arbitrarily strong. In particular black holes are not excluded. The derivation extends previous results due to Damour, Soffel and Xu (DSX) for weakly self-gravitating bodies in which the post-1- Newtonian field equations are satisfied everywhere. We also give a surface integral derivation of the leading-order evolution equations for the spin and energy of a relativistic body interacting with other bodies in the post-Newtonian expansion. As part of the computational method, new explicit expansions of general solutions of post-2-Newtonian vacuum field equations are derived. These expansions can serve as foundation for future work in a number of directions, including for example conserved quantities at post- 2-Newtonian order, definitions of angular momentum and studies of gauge invariance of tidal heating. As an astrophysical application of the translational equations of motion, we study gravitomagnetic resonant tidal excitations of r -modes in neutron star binary coalescence. We show that the effect of the resonance on the phase of the binary can be parametrized by a single number. We compute this number explicitly and discuss the detectability of this effect from its imprint on the gravitational wave signal emitted by the binary.

  15. Equations of motion according to the asymptotic post-Newtonian scheme for general relativity in the harmonic gauge

    Science.gov (United States)

    Arminjon, Mayeul

    2005-10-01

    The asymptotic scheme of post-Newtonian approximation defined for general relativity in the harmonic gauge by Futamase & Schutz (1983) is based on a family of initial data for the matter fields of a perfect fluid and for the initial metric, defining a family of weakly self-gravitating systems. We show that Weinberg’s (1972) expansion of the metric and his general expansion of the energy-momentum tensor T, as well as his expanded equations for the gravitational field and his general form of the expanded dynamical equations, apply naturally to this family. Then, following the asymptotic scheme, we derive the explicit form of the expansion of T for a perfect fluid, and the expanded fluid-dynamical equations. (These differ from those written by Weinberg.) By integrating these equations in the domain occupied by a body, we obtain a general form of the translational equations of motion for a 1PN perfect-fluid system in general relativity. To put them into a tractable form, we use an asymptotic framework for the separation parameter η, by defining a family of well-separated 1PN systems. We calculate all terms in the equations of motion up to the order η3 included. To calculate the 1PN correction part, we assume that the Newtonian motion of each body is a rigid one, and that the family is quasispherical, in the sense that in all bodies the inertia tensor comes close to being spherical as η→0. Apart from corrections that cancel for exact spherical symmetry, there is in the final equations of motion one additional term, as compared with the Lorentz-Droste (Einstein-Infeld-Hoffmann) acceleration. This term depends on the spin of the body and on its internal structure.

  16. SU-E-J-57: First Development of Adapting to Intrafraction Relative Motion Between Prostate and Pelvic Lymph Nodes Targets

    Energy Technology Data Exchange (ETDEWEB)

    Ge, Y; Colvill, E; O’Brien, R; Keall, P [Radiation Physics Laboratory, University of Sydney, NSW (Australia); Booth, J [Northern Sydney Cancer Centre, Royal North Shore Hospital, Sydney, NSW (Australia)

    2015-06-15

    Purpose Large intrafraction relative motion of multiple targets is common in advanced head and neck, lung, abdominal, gynaecological and urological cancer, jeopardizing the treatment outcomes. The objective of this study is to develop a real-time adaptation strategy, for the first time, to accurately correct for the relative motion of multiple targets by reshaping the treatment field using the multi-leaf collimator (MLC). Methods The principle of tracking the simultaneously treated but differentially moving tumor targets is to determine the new aperture shape that conforms to the shifted targets. Three dimensional volumes representing the individual targets are projected to the beam’s eye view. The leaf openings falling inside each 2D projection will be shifted according to the measured motion of each target to form the new aperture shape. Based on the updated beam shape, new leaf positions will be determined with optimized trade-off between the target underdose and healthy tissue overdose, and considerations of the physical constraints of the MLC. Taking a prostate cancer patient with pelvic lymph node involvement as an example, a preliminary dosimetric study was conducted to demonstrate the potential treatment improvement compared to the state-of- art adaptation technique which shifts the whole beam to track only one target. Results The world-first intrafraction adaptation system capable of reshaping the beam to correct for the relative motion of multiple targets has been developed. The dose in the static nodes and small bowel are closer to the planned distribution and the V45 of small bowel is decreased from 110cc to 75cc, corresponding to a 30% reduction by this technique compared to the state-of-art adaptation technique. Conclusion The developed adaptation system to correct for intrafraction relative motion of multiple targets will guarantee the tumour coverage and thus enable PTV margin reduction to minimize the high target dose to the adjacent organs

  17. Adhesion of Photon-Driven Molecular Motors to Surfaces via 1,3-Dipolar Cycloadditions : Effect of Interfacial Interactions on Molecular Motion

    NARCIS (Netherlands)

    Carroll, Gregory T.; London, Gabor; Fernández Landaluce, Tatiana; Rudolf, Petra; Feringa, Ben L.

    We report the attachment of altitudinal light-driven molecular motors to surfaces using 1,3-dipolar cycloaddition reactions. Molecular motors were designed containing azide or alkyne groups for attachment to alkyne- or azide-modified surfaces. Surface attachment was characterized by UV-vis, IR, XPS,

  18. Conserved linear dynamics of single-molecule Brownian motion

    KAUST Repository

    Serag, Maged F.

    2017-06-06

    Macromolecular diffusion in homogeneous fluid at length scales greater than the size of the molecule is regarded as a random process. The mean-squared displacement (MSD) of molecules in this regime increases linearly with time. Here we show that non-random motion of DNA molecules in this regime that is undetectable by the MSD analysis can be quantified by characterizing the molecular motion relative to a latticed frame of reference. Our lattice occupancy analysis reveals unexpected sub-modes of motion of DNA that deviate from expected random motion in the linear, diffusive regime. We demonstrate that a subtle interplay between these sub-modes causes the overall diffusive motion of DNA to appear to conform to the linear regime. Our results show that apparently random motion of macromolecules could be governed by non-random dynamics that are detectable only by their relative motion. Our analytical approach should advance broad understanding of diffusion processes of fundamental relevance.

  19. Conserved linear dynamics of single-molecule Brownian motion

    Science.gov (United States)

    Serag, Maged F.; Habuchi, Satoshi

    2017-06-01

    Macromolecular diffusion in homogeneous fluid at length scales greater than the size of the molecule is regarded as a random process. The mean-squared displacement (MSD) of molecules in this regime increases linearly with time. Here we show that non-random motion of DNA molecules in this regime that is undetectable by the MSD analysis can be quantified by characterizing the molecular motion relative to a latticed frame of reference. Our lattice occupancy analysis reveals unexpected sub-modes of motion of DNA that deviate from expected random motion in the linear, diffusive regime. We demonstrate that a subtle interplay between these sub-modes causes the overall diffusive motion of DNA to appear to conform to the linear regime. Our results show that apparently random motion of macromolecules could be governed by non-random dynamics that are detectable only by their relative motion. Our analytical approach should advance broad understanding of diffusion processes of fundamental relevance.

  20. Conserved linear dynamics of single-molecule Brownian motion

    KAUST Repository

    Serag, Maged F.; Habuchi, Satoshi

    2017-01-01

    Macromolecular diffusion in homogeneous fluid at length scales greater than the size of the molecule is regarded as a random process. The mean-squared displacement (MSD) of molecules in this regime increases linearly with time. Here we show that non-random motion of DNA molecules in this regime that is undetectable by the MSD analysis can be quantified by characterizing the molecular motion relative to a latticed frame of reference. Our lattice occupancy analysis reveals unexpected sub-modes of motion of DNA that deviate from expected random motion in the linear, diffusive regime. We demonstrate that a subtle interplay between these sub-modes causes the overall diffusive motion of DNA to appear to conform to the linear regime. Our results show that apparently random motion of macromolecules could be governed by non-random dynamics that are detectable only by their relative motion. Our analytical approach should advance broad understanding of diffusion processes of fundamental relevance.

  1. Human motion characteristics in relation to feeling familiar or frightened during an announced short interaction with a proactive humanoid.

    Science.gov (United States)

    Baddoura, Ritta; Venture, Gentiane

    2014-01-01

    During an unannounced encounter between two humans and a proactive humanoid (NAO, Aldebaran Robotics), we study the dependencies between the human partners' affective experience (measured via the answers to a questionnaire) particularly regarding feeling familiar and feeling frightened, and their arm and head motion [frequency and smoothness using Inertial Measurement Units (IMU)]. NAO starts and ends its interaction with its partners by non-verbally greeting them hello (bowing) and goodbye (moving its arm). The robot is invested with a real and useful task to perform: handing each participant an envelope containing a questionnaire they need to answer. NAO's behavior varies from one partner to the other (Smooth with X vs. Resisting with Y). The results show high positive correlations between feeling familiar while interacting with the robot and: the frequency and smoothness of the human arm movement when waving back goodbye, as well as the smoothness of the head during the whole encounter. Results also show a negative dependency between feeling frightened and the frequency of the human arm movement when waving back goodbye. The principal component analysis (PCA) suggests that, in regards to the various motion measures examined in this paper, the head smoothness and the goodbye gesture frequency are the most reliable measures when it comes to considering the familiar experienced by the participants. The PCA also points out the irrelevance of the goodbye motion frequency when investigating the participants' experience of fear in its relation to their motion characteristics. The results are discussed in light of the major findings of studies on body movements and postures accompanying specific emotions.

  2. Molecular water motions of skim milk powder solutions during acidification studied by 17O and 1H nuclear magnetic resonance and rheology

    DEFF Research Database (Denmark)

    Møller, S M; Whittaker, A. K.; Stokes, J. R.

    2011-01-01

    The molecular motion of water was studied in glucono-δ-lactone-acidified skim milk powder (SMP) solutions with various pH values and dry matter contents. NMR relaxometry measurements revealed that lowering the pH in SMP solutions affected 17O and 1HT2 relaxation rates almost identically. Conseque......The molecular motion of water was studied in glucono-δ-lactone-acidified skim milk powder (SMP) solutions with various pH values and dry matter contents. NMR relaxometry measurements revealed that lowering the pH in SMP solutions affected 17O and 1HT2 relaxation rates almost identically...... could contribute to the initial decrease in 17O and 1Hrelaxation rate in the pH range between 6.6 and 5.5 for 15% SMP and in the pH range between 6.6 and 5.9 for 25% SMP. However, below pH 5.5 the viscosity and 17Oand 1HNMRrelaxation rates did not correlate, revealing that the aggregation of casein...... micelles, which increases viscosity below pH 5.5, does not involve major repartitioning of water....

  3. Is Nubia plate rigid? A geodetic study of the relative motion of different cratonic areas within Africa.

    Science.gov (United States)

    Njoroge, M. W.; Malservisi, R.; Hugentobler, U.; Mokhtari, M.; Voytenko, D.

    2014-12-01

    Plate rigidity is one of the main paradigms of plate tectonics and a fundamental assumption in the definition of a global reference frame as ITRF. Although still far for optimal, the increased GPS instrumentation of the African region can allow us to understand how rigid one of the major plate can be. The presence of diffused band of seismicity, the Cameroon volcanic line, Pan African Kalahari orogenic belt and East Africa Rift suggest the possibility of relative motion among the different regions within the Nubia. The study focuses on the rigidity of Nubia plate. We divide the plate into three regions: Western (West Africa craton plus Nigeria), Central (approximately the region of the Congo craton) and Southern (Kalahari craton plus South Africa) and we utilize Euler Vector formulation to study internal rigidity and eventual relative motion. Developing five different reference frames with different combinations of the 3 regions, we try to understand the presence of the relative motion between the 3 cratons thus the stability of the Nubia plate as a whole. All available GPS stations from the regions are used separately or combined in creation of the reference frames. We utilize continuous stations with at least 2.5 years of data between 1994 and 2014. Given the small relative velocity, it is important to eliminate eventual biases in the analysis and to have a good estimation in the uncertainties of the observed velocities. For this reason we perform our analysis using both Bernese and Gipsy-oasis codes to generate time series for each station. Velocities and relative uncertainties are analyzed using the Allan variance of rate technique, taking in account for colored noise. An analysis of the color of the noise as function of latitude and climatic region is also performed to each time series. Preliminary results indicate a slight counter clockwise motion of West Africa craton with respect to South Africa Kalahari, and South Africa Kalahari-Congo Cratons. In addition

  4. Evaluation of breast cancer using intravoxel incoherent motion (IVIM) histogram analysis: comparison with malignant status, histological subtype, and molecular prognostic factors.

    Science.gov (United States)

    Cho, Gene Young; Moy, Linda; Kim, Sungheon G; Baete, Steven H; Moccaldi, Melanie; Babb, James S; Sodickson, Daniel K; Sigmund, Eric E

    2016-08-01

    To examine heterogeneous breast cancer through intravoxel incoherent motion (IVIM) histogram analysis. This HIPAA-compliant, IRB-approved retrospective study included 62 patients (age 48.44 ± 11.14 years, 50 malignant lesions and 12 benign) who underwent contrast-enhanced 3 T breast MRI and diffusion-weighted imaging. Apparent diffusion coefficient (ADC) and IVIM biomarkers of tissue diffusivity (Dt), perfusion fraction (fp), and pseudo-diffusivity (Dp) were calculated using voxel-based analysis for the whole lesion volume. Histogram analysis was performed to quantify tumour heterogeneity. Comparisons were made using Mann-Whitney tests between benign/malignant status, histological subtype, and molecular prognostic factor status while Spearman's rank correlation was used to characterize the association between imaging biomarkers and prognostic factor expression. The average values of the ADC and IVIM biomarkers, Dt and fp, showed significant differences between benign and malignant lesions. Additional significant differences were found in the histogram parameters among tumour subtypes and molecular prognostic factor status. IVIM histogram metrics, particularly fp and Dp, showed significant correlation with hormonal factor expression. Advanced diffusion imaging biomarkers show relationships with molecular prognostic factors and breast cancer malignancy. This analysis reveals novel diagnostic metrics that may explain some of the observed variability in treatment response among breast cancer patients. • Novel IVIM biomarkers characterize heterogeneous breast cancer. • Histogram analysis enables quantification of tumour heterogeneity. • IVIM biomarkers show relationships with breast cancer malignancy and molecular prognostic factors.

  5. Relative Stabilities and Reactivities of Isolated Versus Conjugated Alkenes: Reconciliation Via a Molecular Orbital Approach

    Science.gov (United States)

    Sotiriou-Leventis, Chariklia; Hanna, Samir B.; Leventis, Nicholas

    1996-04-01

    The well-accepted practice of generating a pair of molecular orbitals, one of lower energy and another of higher energy than the original pair of overlapping atomic orbitals, and the concept of a particle in a one-dimensional box are implemented in a simplified, nonmathematical method that explains the relative stabilities and reactivities of alkenes with conjugated versus isolated double bonds. In this method, Huckel-type MO's of higher polyenes are constructed by energy rules of linear combination of atomic orbitals. One additional rule is obeyed: bonding molecular orbitals overlap only with bonding molecular orbitals, and antibonding molecular orbitals overlap only with antibonding molecular orbitals.

  6. Motion monitoring during a course of lung radiotherapy with anchored electromagnetic transponders. Quantification of inter- and intrafraction motion and variability of relative transponder positions

    Energy Technology Data Exchange (ETDEWEB)

    Schmitt, Daniela [German Cancer Research Center (DKFZ), Division of Medical Physics in Radiation Oncology, Heidelberg (Germany); National Center for Radiation Research in Oncology (NCRO), Heidelberg Institute for Radiation Oncology (HIRO), Heidelberg (Germany); Heidelberg University Hospital, Department of Radiation Oncology, Heidelberg (Germany); Nill, Simeon; Oelfke, Uwe [German Cancer Research Center (DKFZ), Division of Medical Physics in Radiation Oncology, Heidelberg (Germany); National Center for Radiation Research in Oncology (NCRO), Heidelberg Institute for Radiation Oncology (HIRO), Heidelberg (Germany); The Institute of Cancer Research and The Royal Marsden NHS Foundation Trust, Joint Department of Physics, London (United Kingdom); Roeder, Falk [German Cancer Research Center (DKFZ), Clinical Cooperation Unit Molecular Radiooncology, Heidelberg (Germany); University of Munich (LMU), Department of Radiation Oncology, Munich (Germany); Gompelmann, Daniela; Herth, Felix [University of Heidelberg, Pneumology and Critical Care Medicine, Thoraxklinik, Heidelberg (Germany); German Center for Lung Research, Translational Lung Research Center Heidelberg (TLRC), Heidelberg (Germany)

    2017-10-15

    Anchored electromagnetic transponders for tumor motion monitoring during lung radiotherapy were clinically evaluated. First, intrafractional motion patterns were analyzed as well as their interfractional variations. Second, intra- and interfractional changes of the geometric transponder positions were investigated. Intrafractional motion data from 7 patients with an upper or middle lobe tumor and three implanted transponders each was used to calculate breathing amplitudes, overall motion amount and motion midlines in three mutual perpendicular directions and three-dimensionally (3D) for 162 fractions. For 6 patients intra- and interfractional variations in transponder distances and in the size of the triangle defined by the transponder locations over the treatment course were determined. Mean 3D values of all fractions were up to 4.0, 4.6 and 3.4 mm per patient for amplitude, overall motion amount and midline deviation, respectively. Intrafractional transponder distances varied with standard deviations up to 3.2 mm, while a maximal triangle shrinkage of 36.5% over 39 days was observed. Electromagnetic real-time motion monitoring was feasible for all patients. Detected respiratory motion was on average modest in this small cohort without lower lobe tumors, but changes in motion midline were of the same size as the amplitudes and greater midline motion can be observed in some fractions. Intra- and interfractional variations of the geometric transponder positions can be large, so for reliable motion management correlation between transponder and tumor motion needs to be evaluated per patient. (orig.) [German] Verankerte, elektromagnetische Transponder fuer die Bewegungserkennung des Tumors waehrend der Strahlentherapie der Lunge wurden klinisch evaluiert. Dafuer wurden intrafraktionelle Bewegungsmuster und ihre interfraktionellen Variationen analysiert und intra- und interfraktionelle Veraenderungen der geometrischen Transponderpositionen untersucht. Intrafraktionelle

  7. Molecular phylogeny of Trametes and related genera based on ...

    African Journals Online (AJOL)

    use

    2011-12-12

    Dec 12, 2011 ... Some species of Trametes and their related genera are so similar in microstructure characteristics that it is ... We found that both the conserved domains and the variable domains all ..... closely-related species was similar.

  8. Integrable motion of curves in self-consistent potentials: Relation to spin systems and soliton equations

    Energy Technology Data Exchange (ETDEWEB)

    Myrzakulov, R.; Mamyrbekova, G.K.; Nugmanova, G.N.; Yesmakhanova, K.R. [Eurasian International Center for Theoretical Physics and Department of General and Theoretical Physics, Eurasian National University, Astana 010008 (Kazakhstan); Lakshmanan, M., E-mail: lakshman@cnld.bdu.ac.in [Centre for Nonlinear Dynamics, School of Physics, Bharathidasan University, Tiruchirapalli 620 024 (India)

    2014-06-13

    Motion of curves and surfaces in R{sup 3} lead to nonlinear evolution equations which are often integrable. They are also intimately connected to the dynamics of spin chains in the continuum limit and integrable soliton systems through geometric and gauge symmetric connections/equivalence. Here we point out the fact that a more general situation in which the curves evolve in the presence of additional self-consistent vector potentials can lead to interesting generalized spin systems with self-consistent potentials or soliton equations with self-consistent potentials. We obtain the general form of the evolution equations of underlying curves and report specific examples of generalized spin chains and soliton equations. These include principal chiral model and various Myrzakulov spin equations in (1+1) dimensions and their geometrically equivalent generalized nonlinear Schrödinger (NLS) family of equations, including Hirota–Maxwell–Bloch equations, all in the presence of self-consistent potential fields. The associated gauge equivalent Lax pairs are also presented to confirm their integrability. - Highlights: • Geometry of continuum spin chain with self-consistent potentials explored. • Mapping on moving space curves in R{sup 3} in the presence of potential fields carried out. • Equivalent generalized nonlinear Schrödinger (NLS) family of equations identified. • Integrability of identified nonlinear systems proved by deducing appropriate Lax pairs.

  9. Quantum tunneling of magnetization and related phenomena in molecular materials.

    Science.gov (United States)

    Gatteschi, Dante; Sessoli, Roberta

    2003-01-20

    Molecules comprising a large number of coupled paramagnetic centers are attracting much interest because they may show properties which are intermediate between those of simple paramagnets and classical bulk magnets and provide unambiguous evidence of quantum size effects in magnets. To date, two cluster families, usually referred to as Mn12 and Fe8, have been used to test theories. However, it is reasonable to predict that other classes of molecules will be discovered which have similar or superior properties. To do this it is necessary that synthetic chemists have a good understanding of the correlation between the structure and properties of the molecules, for this it is necessary that concepts such as quantum tunneling, quantum coherence, quantum oscillations are understood. The goal of this article is to review the fundamental concepts needed to understand quantum size effects in molecular magnets and to critically report what has been done in the field to date.

  10. Molecular motions in sucrose-PVP and sucrose-sorbitol dispersions-II. Implications of annealing on secondary relaxations.

    Science.gov (United States)

    Bhattacharya, Sisir; Bhardwaj, Sunny P; Suryanarayanan, Raj

    2014-10-01

    To determine the effect of annealing on the two secondary relaxations in amorphous sucrose and in sucrose solid dispersions. Sucrose was co-lyophilized with either PVP or sorbitol, annealed for different time periods and analyzed by dielectric spectroscopy. In an earlier investigation, we had documented the effect of PVP and sorbitol on the primary and the two secondary relaxations in amorphous sucrose solid dispersions (1). Here we investigated the effect of annealing on local motions, both in amorphous sucrose and in the dispersions. The average relaxation time of the local motion (irrespective of origin) in sucrose, decreased upon annealing. However, the heterogeneity in relaxation time distribution as well as the dielectric strength decreased only for β1- (the slower relaxation) but not for β2-relaxations. The effect of annealing on β2-relaxation times was neutralized by sorbitol while PVP negated the effect of annealing on both β1- and β2-relaxations. An increase in local mobility of sucrose brought about by annealing could be negated with an additive.

  11. Computer Code for Interpreting 13C NMR Relaxation Measurements with Specific Models of Molecular Motion: The Rigid Isotropic and Symmetric Top Rotor Models and the Flexible Symmetric Top Rotor Model

    Science.gov (United States)

    2017-01-01

    top rotor superimposes an effective correlation time, τe, onto a symmetric top rotor to account for internal motion. 2. THEORY The purpose...specifically describe how simple 13C relaxation theory is used to describe quantitatively simple molecular 3 motions. More-detailed accounts ...of nuclear magnetic relaxation can be found in a number of basic textbooks (i.e., Farrar and Becker, 1971; Fukushima and Roeder, 1981; Harris, 1986

  12. The effects of complex exercise on shoulder range of motion and pain for women with breast cancer-related lymphedema: a single-blind, randomized controlled trial.

    Science.gov (United States)

    Park, Jin-Hyuck

    2017-07-01

    This study was to investigate the effects of complex exercise on shoulder range of motion and pain for women with breast cancer-related lymphedema. 69 women participated in this study and then they were randomly allocated to complex exercise group (n = 35) or the conventional decongestive therapy group (n = 34). All subjects received 8 sessions for 4 weeks. To identify the effects on shoulder range of motion and pain, goniometer and visual analog scale were used, respectively. The outcome measurements were performed before and after the 4 week intervention. After 4 weeks, complex exercise group had greater improvements in shoulder range of motion and pain compared with the conventional decongestive therapy group (p women with breast cancer-related lymphedema. Complex exercise would be useful to improve shoulder range of motion and pain of the women with breast cancer-related lymphedema.

  13. Molecular Diagnostics of Ageing and Tackling Age-related Disease.

    Science.gov (United States)

    Timmons, James A

    2017-01-01

    As average life expectancy increases there is a greater focus on health-span and, in particular, how to treat or prevent chronic age-associated diseases. Therapies which were able to control 'biological age' with the aim of postponing chronic and costly diseases of old age require an entirely new approach to drug development. Molecular technologies and machine-learning methods have already yielded diagnostics that help guide cancer treatment and cardiovascular procedures. Discovery of valid and clinically informative diagnostics of human biological age (combined with disease-specific biomarkers) has the potential to alter current drug-discovery strategies, aid clinical trial recruitment and maximize healthy ageing. I will review some basic principles that govern the development of 'ageing' diagnostics, how such assays could be used during the drug-discovery or development process. Important logistical and statistical considerations are illustrated by reviewing recent biomarker activity in the field of Alzheimer's disease, as dementia represents the most pressing of priorities for the pharmaceutical industry, as well as the chronic disease in humans most associated with age. Copyright © 2016 Elsevier Ltd. All rights reserved.

  14. Clinical, molecular, and pharmacological aspects of FMR1 related disorders.

    Science.gov (United States)

    Pugin, A; Faundes, V; Santa María, L; Curotto, B; Aliaga, S; Salas, I; Soto, P; Bravo, P; Peña, M I; Alliende, M A

    2017-05-01

    Fragile X syndrome, the most common inherited cause of intellectual disability, is associated with a broad spectrum of disorders across different generations of a single family. This study reviews the clinical manifestations of fragile X-associated disorders as well as the spectrum of mutations of the fragile X mental retardation 1 gene (FMR1) and the neurobiology of the fragile X mental retardation protein (FMRP), and also provides an overview of the potential therapeutic targets and genetic counselling. This disorder is caused by expansion of the CGG repeat (>200 repeats) in the 5 prime untranslated region of FMR1, resulting in a deficit or absence of FMRP. FMRP is an RNA-binding protein that regulates the translation of several genes that are important in synaptic plasticity and dendritic maturation. It is believed that CGG repeat expansions in the premutation range (55 to 200 repeats) elicit an increase in mRNA levels of FMR1, which may cause neuronal toxicity. These changes manifest clinically as developmental problems such as autism and learning disabilities as well as neurodegenerative diseases including fragile X-associated tremor/ataxia syndrome (FXTAS). Advances in identifying the molecular basis of fragile X syndrome may help us understand the causes of neuropsychiatric disorders, and they will probably contribute to development of new and specific treatments. Copyright © 2014 Sociedad Española de Neurología. Publicado por Elsevier España, S.L.U. All rights reserved.

  15. Impact of respiratory motion on variable relative biological effectiveness in 4D-dose distributions of proton therapy.

    Science.gov (United States)

    Ulrich, Silke; Wieser, Hans-Peter; Cao, Wenhua; Mohan, Radhe; Bangert, Mark

    2017-11-01

    Organ motion during radiation therapy with scanned protons leads to deviations between the planned and the delivered physical dose. Using a constant relative biological effectiveness (RBE) of 1.1 linearly maps these deviations into RBE-weighted dose. However, a constant value cannot account for potential nonlinear variations in RBE suggested by variable RBE models. Here, we study the impact of motion on recalculations of RBE-weighted dose distributions using a phenomenological variable RBE model. 4D-dose calculation including variable RBE was implemented in the open source treatment planning toolkit matRad. Four scenarios were compared for one field and two field proton treatments for a liver cancer patient assuming (α∕β) x  = 2 Gy and (α∕β) x  = 10 Gy: (A) the optimized static dose distribution with constant RBE, (B) a static recalculation with variable RBE, (C) a 4D-dose recalculation with constant RBE and (D) a 4D-dose recalculation with variable RBE. For (B) and (D), the variable RBE was calculated by the model proposed by McNamara. For (C), the physical dose was accumulated with direct dose mapping; for (D), dose-weighted radio-sensitivity parameters of the linear quadratic model were accumulated to model synergistic irradiation effects on RBE. Dose recalculation with variable RBE led to an elevated biological dose at the end of the proton field, while 4D-dose recalculation exhibited random deviations everywhere in the radiation field depending on the interplay of beam delivery and organ motion. For a single beam treatment assuming (α∕β) x  = 2 Gy, D 95 % was 1.98 Gy (RBE) (A), 2.15 Gy (RBE) (B), 1.81 Gy (RBE) (C) and 1.98 Gy (RBE) (D). The homogeneity index was 1.04 (A), 1.08 (B), 1.23 (C) and 1.25 (D). For the studied liver case, intrafractional motion did not reduce the modulation of the RBE-weighted dose postulated by variable RBE models for proton treatments.

  16. Bayesian noise-reduction in Arabia/Somalia and Nubia/Arabia finite rotations since ˜20 Ma: Implications for Nubia/Somalia relative motion

    Science.gov (United States)

    Iaffaldano, Giampiero; Hawkins, Rhys; Sambridge, Malcolm

    2014-04-01

    Knowledge of Nubia/Somalia relative motion since the Early Neogene is of particular importance in the Earth Sciences, because it (i) impacts on inferences on African dynamic topography; and (ii) allows us to link plate kinematics within the Indian realm with those within the Atlantic basin. The contemporary Nubia/Somalia motion is well known from geodetic observations. Precise estimates of the past-3.2-Myr average motion are also available from paleo-magnetic observations. However, little is known of the Nubia/Somalia motion prior to ˜3.2 Ma, chiefly because the Southwest Indian Ridge spread slowly, posing a challenge to precisely identify magnetic lineations. This also makes the few observations available particularly prone to noise. Here we reconstruct Nubia/Somalia relative motions since ˜20 Ma from the alternative plate-circuit Nubia-Arabia-Somalia. We resort to trans-dimensional hierarchical Bayesian Inference, which has proved effective in reducing finite-rotation noise, to unravel the Arabia/Somalia and Arabia/Nubia motions. We combine the resulting kinematics to reconstruct the Nubia/Somalia relative motion since ˜20 Ma. We verify the validity of the approach by comparing our reconstruction with the available record for the past ˜3.2 Myr, obtained through Antarctica. Results indicate that prior to ˜11 Ma the total motion between Nubia and Somalia was faster than today. Furthermore, it featured a significant strike-slip component along the Nubia/Somalia boundary. It is only since ˜11 Ma that Nubia diverges away from Somalia at slower rates, comparable to the present-day one. Kinematic changes of some 20% might have occurred in the period leading to the present-day, but plate-motion steadiness is also warranted within the uncertainties.

  17. Intramolecular excimer formation of diastereoisomeric model compounds of polystyrene in fluid solution: their local molecular motion and photophysical properties

    International Nuclear Information System (INIS)

    Itagaki, Hideyuki; Horie, Kazuyuki; Mita, Itaru; Washio, Masakazu; Tagawa, Seiichi; Tabata, Yoneho

    1989-01-01

    The dynamic process of intramolecular excimer formation in diasteroisomeric oligomers model compounds of polystyrene, was investigated by using a picosecond pulse radiolysis technique. Monomer fluorescence of all-racemic isomers decays single-exponentially, while that of other isomers decays dual-exponentially. Multicomponent fluorescence decay curves are supposed to be mainly induced by conformational changes. The results suggest that the excimer in oligostyrenes (or polystyrene) is formed mainly in meso diad. It is definitely proved that there exists singlet energy migration in styrene trimer and tetramer systems. The conformational change in PS3 and PS4 is concluded to occur by way of cooperative motions in backbone chains bond such as a crankshaft transition, not by way of independent rotation around each carbon-carbon bond of the backbone chain. (author)

  18. Correlation of horizontal and vertical components of strong ground motion for response-history analysis of safety-related nuclear facilities

    Energy Technology Data Exchange (ETDEWEB)

    Huang, Yin-Nan, E-mail: ynhuang@ntu.edu.tw [Dept. of Civil Engineering, National Taiwan University, No. 1, Sec. 4, Roosevelt Rd., Taipei 10617, Taiwan (China); Yen, Wen-Yi, E-mail: b01501059@ntu.edu.tw [Dept. of Civil Engineering, National Taiwan University, No. 1, Sec. 4, Roosevelt Rd., Taipei 10617, Taiwan (China); Whittaker, Andrew S., E-mail: awhittak@buffalo.edu [Dept. of Civil, Structural and Environmental Engineering, MCEER, State University of New York at Buffalo, Buffalo, NY 14260 (United States)

    2016-12-15

    Highlights: • The correlation of components of ground motion is studied using 1689 sets of records. • The data support an upper bound of 0.3 on the correlation coefficient. • The data support the related requirement in the upcoming edition of ASCE Standard 4. - Abstract: Design standards for safety-related nuclear facilities such as ASCE Standard 4-98 and ASCE Standard 43-05 require the correlation coefficient for two orthogonal components of ground motions for response-history analysis to be less than 0.3. The technical basis of this requirement was developed by Hadjian three decades ago using 50 pairs of recorded ground motions that were available at that time. In this study, correlation coefficients for (1) two horizontal components, and (2) the vertical component and one horizontal component, of a set of ground motions are computed using records from a ground-motion database compiled recently for large-magnitude shallow crustal earthquakes. The impact of the orientation of the orthogonal horizontal components on the correlation coefficient of ground motions is discussed. The rules in the forthcoming edition of ASCE Standard 4 for the correlation of components in a set of ground motions are shown to be reasonable.

  19. Self-motion and the α-relaxation in glass-forming polymers. Molecular dynamic simulation and quasielastic neutron scattering results in polyisoprene

    International Nuclear Information System (INIS)

    Colmenero, Juan; Arbe, Arantxa; Alvarez, Fernando; Monkenbusch, Michael; Richter, Dieter; Farago, Bela; Frick, Bernhard

    2003-01-01

    The momentum transfer dependence of the self-motion of main chain hydrogens in the α-relaxation regime of a glass forming polymer, polyisoprene, has been thoroughly investigated by a combined effort involving fully atomistic molecular dynamic simulations and quasielastic neutron scattering measurements. In this way, we have established the existence of a crossover from a Gaussian regime of sublinear diffusion to a strongly non-Gaussian regime at short distances. We show that an anomalous jump diffusion model with a distribution of jump lengths gives rise to such a crossover. This model leads to a time-dependent non-Gaussian parameter exhibiting all features revealed so far from various simulations of different glass forming systems

  20. A massively parallel algorithm for the solution of constrained equations of motion with applications to large-scale, long-time molecular dynamics simulations

    Energy Technology Data Exchange (ETDEWEB)

    Fijany, A. [Jet Propulsion Lab., Pasadena, CA (United States); Coley, T.R. [Virtual Chemistry, Inc., San Diego, CA (United States); Cagin, T.; Goddard, W.A. III [California Institute of Technology, Pasadena, CA (United States)

    1997-12-31

    Successful molecular dynamics (MD) simulation of large systems (> million atoms) for long times (> nanoseconds) requires the integration of constrained equations of motion (CEOM). Constraints are used to eliminate high frequency degrees of freedom (DOF) and to allow the use of rigid bodies. Solving the CEOM allows for larger integration time-steps and helps focus the simulation on the important collective dynamics of chemical, biological, and materials systems. We explore advances in multibody dynamics which have resulted in O(N) algorithms for propagating the CEOM. However, because of their strictly sequential nature, the computational time required by these algorithms does not scale down with increased numbers of processors. We then present the new constraint force algorithm for solving the CEOM and show that this algorithm is fully parallelizable, leading to a computational cost of O(N/P+IogP) for N DOF on P processors.

  1. Molecular phylogeny of Trametes and related genera based on ...

    African Journals Online (AJOL)

    Some species of Trametes and their related genera are so similar in microstructure characteristics that it is difficult to identify and separate them by traditional taxonomy. In this study, we elucidated relationships among Trametes through comparison of the nuclear internal transcribed spacer (ITS) and the nearly complete ...

  2. Molecular cloning and characterization of pathogenesis-related ...

    African Journals Online (AJOL)

    use

    2011-12-21

    Dec 21, 2011 ... Available online at http://www.academicjournals.org/AJB ... November, 2011. We described the cloning and characterization of pathogenesis-related protein 5 gene in maize, named .... in two inbred lines was calculated using the ↵Ct method. .... Of the characterized PRs currently known, PR-1, PR-2,. PR-3 ...

  3. Molecular relationships between closely related strains and species of nematodes

    Science.gov (United States)

    Butler, M. H.; Wall, S. M.; Luehrsen, K. R.; Fox, G. E.; Hecht, R. M.

    1981-01-01

    Electrophoretic comparisons have been made for 24 enzymes in the Bergerac and Bristol strains of Caenorhabditis elegans and the related species, Caenorhabditis briggsae. No variation was detected between the two strains of C. elegans. In contrast, the two species, C. elegans and C. briggsae exhibited electrophoretic differences in 22 of 24 enzymes. A consensus 5S rRNA sequence was determined for C. elegans and found to be identical to that from C. briggsae. By analogy with other species with relatively well established fossil records it can be inferred that the time of divergence between the two nematode species is probably in the tens of millions of years. The limited anatomical evolution during a time period in which proteins undergo extensive changes supports the hypothesis that anatomical evolution is not dependent on overall protein changes.

  4. [Body experience and motion in a biographical context: about the necessity of a body- and motion-related biographical view in gerontology].

    Science.gov (United States)

    Abraham, Anke

    2008-06-01

    According to the special view of natural sciences, ageing processes are connected with measurable changes in the body. At the same time we know little about how bodily change is experienced and the subjective acceptance of the body during aging. Therefore a perspective with respect to the body has to be systematically embraced in gerontology. Knowledge perspectives and the view of the body are exemplified in theory and by analysing a case. The knowledge of experience and sense of body and motion in a person's life allows the creation of stimulating offers of growth development and health in age.

  5. Nintendo Wii related Achilles tendon rupture: first reported case and literature review of motion sensing video game injuries.

    Science.gov (United States)

    Singh, Rohit; Manoharan, Gopikanthan; Moores, Thomas Steven; Patel, Amit

    2014-05-14

    Achilles tendon ruptures tend to occur more commonly in healthy men between the ages of 30 and 50 years who have had no previous injury or problem reported in the affected leg. The injury is usually due to sudden forced plantar flexion of the foot, unexpected dorsiflexion of the foot and violent dorsiflexion of a plantar flexed foot, all of which occur during high impact activities. We present the first reported case of interactive activity with Nintendo Wii games that have resulted in Achilles tendon rupture in a 46-year-old man. There have been no previous reports of Achilles tendon rupture with Nintendo Wii usage; it is a relatively uncommon mode of injury and is rare in terms of epidemiology of motion sensing video game injuries. 2014 BMJ Publishing Group Ltd.

  6. CDKL5-Related Disorders: From Clinical Description to Molecular Genetics.

    Science.gov (United States)

    Bahi-Buisson, N; Bienvenu, T

    2012-04-01

    Mutations in the cyclin-dependent kinase-like 5 gene (CDKL5) have been described in girls with Rett-like features and early-onset epileptic encephalopathy including infantile spasms. To date, with more than 80 reported cases, the phenotype of CDKL5-related encephalopathy is better defined. The main features consist of early-onset seizures starting before 5 months of age, severe mental retardation with absent speech and Rett-like features such as hand stereotypies and deceleration of head growth. On the other hand, neuro-vegetative signs and developmental regression are rare in CDKL5 mutation patients. The CDKL5 gene encodes a serine threonine kinase protein which is characterized by a catalytic domain and a long C-terminal extension involved in the regulation of the catalytic activity of CDKL5 and in the sub-nuclear localization of the protein. To our knowledge, more than 70 different point mutations have been described including missense mutations within the catalytic domain, nonsense mutations causing the premature termination of the protein distributed in the entire open reading frame, splice variants, and frameshift mutations. Additionally, CDKL5 mutations have recently been described in 7 males with a more severe epileptic encephalopathy and a worse outcome compared to female patients. Finally, about 23 male and female patients have been identified with gross rearrangements encompassing all or part of the CDKL5 gene, with a phenotype reminiscent of CDKL5-related encephalopathy combined with dysmorphic features. Even if recent data clearly indicate that CDKL5 plays an important role in brain function, the protein remains largely uncharacterized. Phenotype-genotype correlation is additionally hampered by the relatively small number of patients described.

  7. [Review: plant polyphenols modulate lipid metabolism and related molecular mechanism].

    Science.gov (United States)

    Dai, Yan-li; Zou, Yu-xiao; Liu, Fan; Li, Hong-zhi

    2015-11-01

    Lipid metabolism disorder is an important risk factor to obesity, hyperlipidemia and type 2 diabetes as well as other chronic metabolic disease. It is also a key target in preventing metabolic syndrome, chronic disease prevention. Plant polyphenol plays an important role in maintaining or improving lipid profile in a variety of ways. including regulating cholesterol absorption, inhibiting synthesis and secretion of triglyceride, and lowering plasma low density lipoprotein oxidation, etc. The purpose of this article is to review the lipid regulation effects of plant polyphenols and its related mechanisms.

  8. Photogrammetry System and Method for Determining Relative Motion Between Two Bodies

    Science.gov (United States)

    Miller, Samuel A. (Inventor); Severance, Kurt (Inventor)

    2014-01-01

    A photogrammetry system and method provide for determining the relative position between two objects. The system utilizes one or more imaging devices, such as high speed cameras, that are mounted on a first body, and three or more photogrammetry targets of a known location on a second body. The system and method can be utilized with cameras having fish-eye, hyperbolic, omnidirectional, or other lenses. The system and method do not require overlapping fields-of-view if two or more cameras are utilized. The system and method derive relative orientation by equally weighting information from an arbitrary number of heterogeneous cameras, all with non-overlapping fields-of-view. Furthermore, the system can make the measurements with arbitrary wide-angle lenses on the cameras.

  9. Relative motions of the Australian, Pacific and Antarctic plates estimated by the Global Positioning System

    Science.gov (United States)

    Larson, Kristine M.; Freymueller, Jeff

    1995-01-01

    Global Positioning System (GPS) measurements spanning approximately 3 years have been used to determine velocities for 7 sites on the Australian, Pacific and Antarctic plates. The site velocities agree with both plate model predictions and other space geodetic techniques. We find no evidence for internal deformation of the interior of the Australian plate. Wellington, New Zealand, located in the Australian-Pacific plate boundary zone, moves 20 +/- 5 mm/yr west-southwest relative to the Australian plate. Its velocity lies midway between the predicted velocities of the two plates. Relative Euler vectors for the Australia-Antarctica and Pacific-Antarctica plates agree within one standard deviation with the NUVEL-1A predictions.

  10. Energy-related atomic and molecular structure and scattering studies: Final report

    International Nuclear Information System (INIS)

    1987-01-01

    The general goals of the DOE research concerned the use of molecular beams techniques in the study of atomic and molecular polarizabilities and the study of the interactions between electrons and highly polar molecules. Both of these goals are directly relevant to the general problem of the role played by long-range forces in atomic and molecular physics. Details related to this motivation can be found in the published literature. Here we will describe in general terms the work performed under DOE sponsorship in the atomic beams laboratory at NYU. Our original intent was to exploit techniques developed at NYU, mainly in the study of simple atomic systems, to the more complex atomic and molecular systems that are related to DOE interests. These included the developing understanding of the structure of molecular systems, particularly of alkali halide molecules, and the study of the interactions of electrons with such molecules. The structure experiments would serve as critical experimental benchmarks for computational techniques on molecular properties, including both molecular wave functions and derivative properties of them, such as vibrational and rotational constants, but in particular of molecular electric dipole polarizabilities. We believe that we have at least to some extent fulfilled these goals. 16 refs., 1 fig

  11. Characterization of Non-Linearized Spacecraft Relative Motion using Nonlinear Normal Modes

    Science.gov (United States)

    2016-04-20

    the HCW equation (Eq. (2) expressed in terms of relative orbit elements (ROEs) [17], x(t) = −ae 2 cos(β) + xd y(t) = ae sin(β) + yd z(t) = zm cos(ψ...30) where ae, xd , zm are constant and yd(t) = yd0− 32nxdt, β(t) = β0 +nt and ψ(t) = ψ0 +nt are time dependent. It is clear that (ae, zm, xd , yd0, β0...quantities correspond to the ambiguous orbit. It is noted that if the non- drifting condition xd = 0 is satisfied, Eqs. (37-40) will vanish. In the

  12. Molecular Basis of Alcohol-Related Gastric and Colon Cancer.

    Science.gov (United States)

    Na, Hye-Kyung; Lee, Ja Young

    2017-05-24

    Many meta-analysis, large cohort studies, and experimental studies suggest that chronic alcohol consumption increases the risk of gastric and colon cancer. Ethanol is metabolized by alcohol dehydrogenases (ADH), catalase or cytochrome P450 2E1 (CYP2E1) to acetaldehyde, which is then further oxidized to acetate by aldehyde dehydrogenase (ALDH). Acetaldehyde has been classified by the International Agency for Research on Cancer (IARC) as a Group 1 carcinogen to humans. The acetaldehyde level in the stomach and colon is locally influenced by gastric colonization by Helicobacter pylori or colonic microbes, as well as polymorphisms in the genes encoding tissue alcohol metabolizing enzymes, especially ALDH2. Alcohol stimulates the uptake of carcinogens and their metabolism and also changes the composition of enteric microbes in a way to enhance the aldehyde level. Alcohol also undergoes chemical coupling to membrane phospholipids and disrupts organization of tight junctions, leading to nuclear translocation of β-catenin and ZONAB, which may contributes to regulation of genes involved in proliferation, invasion and metastasis. Alcohol also generates reactive oxygen species (ROS) by suppressing the expression of antioxidant and cytoprotective enzymes and inducing expression of CYP2E1 which contribute to the metabolic activation of chemical carcinogens. Besides exerting genotoxic effects by directly damaging DNA, ROS can activates signaling molecules involved in inflammation, metastasis and angiogenesis. In addition, alcohol consumption induces folate deficiency, which may result in aberrant DNA methylation profiles, thereby influencing cancer-related gene expression.

  13. Energy Through Motion: An Activity Intervention for Cancer-Related Fatigue in an Ambulatory Infusion Center
.

    Science.gov (United States)

    Abbott, Linda; Hooke, Mary Catherine

    2017-10-01

    Cancer-related fatigue (CRF) occurs in most people with cancer undergoing chemotherapy. Physical activity (PA) is safe and effective in reducing CRF in people with cancer. 
. This project involved the implementation and evaluation of a three-month PA program to maintain or improve CRF and quality of life.
. Activity trackers and resistance bands were provided to participants. Verbal instruction, printed material, activity videos, and text messages were used in this program. Participants completed a fatigue assessment; self-reported PA measure; and measure of attitudes, beliefs, and knowledge about sustaining regular PA pre- and postimplementation.
. 51 patients enrolled in the study, and 39 completed the program. Participants' fatigue did not worsen significantly during the three months, and self-reported activity levels increased, but not significantly. The activity tracker, text messages, and personal connection with nursing staff were reported to be helpful.

  14. Measurement of the relative motion of two mirrors in presence of an optical spring

    International Nuclear Information System (INIS)

    Virgilio, A D

    2008-01-01

    The Low Frequency Facility (LFF) experimental set-up consists of one 1 cm long cavity hanging from a mechanical insulation system, that damps seismic noise transmission to the optical components of the VIRGO interferometer. Radiation pressure generates an opto-mechanical coupling between the two mirrors of the cavity, that we call an optical spring. The measured relative displacement power spectrum is compatible with a system at thermal equilibrium within its environment; the optical spring has a stiffness k opt of the order of 10 4 N/m. An upper limits of 10 -15 m/√Hz at 10 Hz for seismic and thermal noise contamination of the Virgo test masses suspended by a SuperAttenuator is derived from measured data

  15. Investigation of the Linker Swing Motion in the Zeolitic Imidazolate Framework ZIF-90

    KAUST Repository

    Zheng, Bin; Fu, Fang; Wang, Lian Li; Yang, Limin; Zhu, Yihan; Du, Huiling

    2018-01-01

    The linker swing motion in the zeolitic imidazolate framework ZIF-90 is investigated by density functional theory (DFT) calculation, molecular dynamics (MD) and grand-canonical Monte Carlo (GCMC) simulations. The relation between the terminal

  16. Fermi level alignment in molecular nanojunctions and its relation to charge transfer

    DEFF Research Database (Denmark)

    Stadler, Robert; Jacobsen, Karsten Wedel

    2006-01-01

    The alignment of the Fermi level of a metal electrode within the gap of the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) of a molecule is a key quantity in molecular electronics, which can vary the electron transparency of a single-molecule junction...... by orders of magnitude. We present a quantitative analysis of the relation between this level alignment (which can be estimated from charging free molecules) and charge transfer for bipyridine and biphenyl dithiolate (BPDT) molecules attached to gold leads based on density functional theory calculations...... end of the gap in the transmission function for bipyridine and at its lower end for BPDT....

  17. Relation of mitral valve morphology and motion to mitral regurgitation severity in patients with mitral valve prolapse

    Directory of Open Access Journals (Sweden)

    Sénéchal Mario

    2012-01-01

    Full Text Available Abstract Background Mitral valve thickness is used as a criterion to distinguish the classical from the non-classical form of mitral valve prolapse (MVP. Classical form of MVP has been associated with higher risk of mitral regurgitation (MR and concomitant complications. We sought to determine the relation of mitral valve morphology and motion to mitral regurgitation severity in patients with MVP. Methods We prospectively analyzed transthoracic echocardiograms of 38 consecutive patients with MVP and various degrees of MR. In the parasternal long-axis view, leaflets length, diastolic leaflet thickness, prolapsing depth, billowing area and non-coaptation distance between both leaflets were measured. Results Twenty patients (53% and 18 patients (47% were identified as having moderate to severe and mild MR respectively (ERO = 45 ± 27 mm2 vs. 5 ± 7 mm2, p Conclusions In patients with MVP, thick mitral leaflet is not associated with significant MR. Leaflet thickness is probably not as important in risk stratification as previously reported in patients with MVP. Other anatomical and geometrical features of the mitral valve apparatus area appear to be much more closely related to MR severity.

  18. Dose/volume–response relations for rectal morbidity using planned and simulated motion-inclusive dose distributions

    International Nuclear Information System (INIS)

    Thor, Maria; Apte, Aditya; Deasy, Joseph O.; Karlsdóttir, Àsa; Moiseenko, Vitali; Liu, Mitchell; Muren, Ludvig Paul

    2013-01-01

    Background and purpose: Many dose-limiting normal tissues in radiotherapy (RT) display considerable internal motion between fractions over a course of treatment, potentially reducing the appropriateness of using planned dose distributions to predict morbidity. Accounting explicitly for rectal motion could improve the predictive power of modelling rectal morbidity. To test this, we simulated the effect of motion in two cohorts. Materials and methods: The included patients (232 and 159 cases) received RT for prostate cancer to 70 and 74 Gy. Motion-inclusive dose distributions were introduced as simulations of random or systematic motion to the planned dose distributions. Six rectal morbidity endpoints were analysed. A probit model using the QUANTEC recommended parameters was also applied to the cohorts. Results: The differences in associations using the planned over the motion-inclusive dose distributions were modest. Statistically significant associations were obtained with four of the endpoints, mainly at high doses (55–70 Gy), using both the planned and the motion-inclusive dose distributions, primarily when simulating random motion. The strongest associations were observed for GI toxicity and rectal bleeding (Rs = 0.12–0.21; Rs = 0.11–0.20). Applying the probit model, significant associations were found for tenesmus and rectal bleeding (Rs = 0.13, p = 0.02). Conclusion: Equally strong associations with rectal morbidity were observed at high doses (>55 Gy), for the planned and the simulated dose distributions including in particular random rectal motion. Future studies should explore patient-specific descriptions of rectal motion to achieve improved predictive power

  19. Structural motion engineering

    CERN Document Server

    Connor, Jerome

    2014-01-01

    This innovative volume provides a systematic treatment of the basic concepts and computational procedures for structural motion design and engineering for civil installations. The authors illustrate the application of motion control to a wide spectrum of buildings through many examples. Topics covered include optimal stiffness distributions for building-type structures, the role of damping in controlling motion, tuned mass dampers, base isolation systems, linear control, and nonlinear control. The book's primary objective is the satisfaction of motion-related design requirements, such as restrictions on displacement and acceleration. The book is ideal for practicing engineers and graduate students. This book also: ·         Broadens practitioners' understanding of structural motion control, the enabling technology for motion-based design ·         Provides readers the tools to satisfy requirements of modern, ultra-high strength materials that lack corresponding stiffness, where the motion re...

  20. Variational principles for collective motion: Relation between invariance principle of the Schroedinger equation and the trace variational principle

    International Nuclear Information System (INIS)

    Klein, A.; Tanabe, K.

    1984-01-01

    The invariance principle of the Schroedinger equation provides a basis for theories of collective motion with the help of the time-dependent variational principle. It is formulated here with maximum generality, requiring only the motion of intrinsic state in the collective space. Special cases arise when the trial vector is a generalized coherent state and when it is a uniform superposition of collective eigenstates. The latter example yields variational principles uncovered previously only within the framework of the equations of motion method. (orig.)

  1. Altered Coupling between Motion-Related Activation and Resting-State Brain Activity in the Ipsilesional Sensorimotor Cortex after Cerebral Stroke

    Directory of Open Access Journals (Sweden)

    Jianping Hu

    2017-07-01

    Full Text Available Functional connectivity maps using resting-state functional magnetic resonance imaging (rs-fMRI can closely resemble task fMRI activation patterns, suggesting that resting-state brain activity may predict task-evoked activation or behavioral performance. However, this conclusion was mostly drawn upon a healthy population. It remains unclear whether the predictive ability of resting-state brain activity for task-evoked activation would change under different pathological conditions. This study investigated dynamic changes of coupling between patterns of resting-state functional connectivity (RSFC and motion-related activation in different stages of cerebral stroke. Twenty stroke patients with hand motor function impairment were involved. rs-fMRI and hand motion-related fMRI data were acquired in the acute, subacute, and early chronic stages of cerebral stroke on a 3-T magnetic resonance (MR scanner. Sixteen healthy participants were enrolled as controls. For each subject, an activation map of the affected hand was first created using general linear model analysis on task fMRI data, and then an RSFC map was determined by seeding at the peak region of hand motion activation during the intact hand task. We then measured the extent of coupling between the RSFC maps and motion-related activation maps. Dynamic changes of the coupling between the two fMRI maps were estimated using one-way repeated measures analysis of variance across the three stages. Moreover, imaging parameters were correlated with motor performances. Data analysis showed that there were different coupling patterns between motion-related activation and RSFC maps associating with the affected motor regions during the acute, subacute, and early chronic stages of stroke. Coupling strengths increased as the recovery from stroke progressed. Coupling strengths were correlated with hand motion performance in the acute stage, while coupling recovery was negatively correlated with the recovery

  2. Relation between molecular electronic structure and nuclear spin-induced circular dichroism

    DEFF Research Database (Denmark)

    Štěpánek, Petr; Coriani, Sonia; Sundholm, Dage

    2017-01-01

    with spatially localized, high-resolution information. To survey the factors relating the molecular and electronic structure to the NSCD signal, we theoretically investigate NSCD of twenty structures of the four most common nucleic acid bases (adenine, guanine, thymine, cytosine). The NSCD signal correlates...... with the spatial distribution of the excited states and couplings between them, reflecting changes in molecular structure and conformation. This constitutes a marked difference to the nuclear magnetic resonance (NMR) chemical shift, which only reflects the local molecular structure in the ground electronic state....... The calculated NSCD spectra are rationalized by means of changes in the electronic density and by a sum-over-states approach, which allows to identify the contributions of the individual excited states. Two separate contributions to NSCD are identified and their physical origins and relative magnitudes...

  3. Quantification of the relative contribution of the different right ventricular wall motion components to right ventricular ejection fraction: the ReVISION method.

    Science.gov (United States)

    Lakatos, Bálint; Tősér, Zoltán; Tokodi, Márton; Doronina, Alexandra; Kosztin, Annamária; Muraru, Denisa; Badano, Luigi P; Kovács, Attila; Merkely, Béla

    2017-03-27

    Three major mechanisms contribute to right ventricular (RV) pump function: (i) shortening of the longitudinal axis with traction of the tricuspid annulus towards the apex; (ii) inward movement of the RV free wall; (iii) bulging of the interventricular septum into the RV and stretching the free wall over the septum. The relative contribution of the aforementioned mechanisms to RV pump function may change in different pathological conditions.Our aim was to develop a custom method to separately assess the extent of longitudinal, radial and anteroposterior displacement of the RV walls and to quantify their relative contribution to global RV ejection fraction using 3D data sets obtained by echocardiography.Accordingly, we decomposed the movement of the exported RV beutel wall in a vertex based manner. The volumes of the beutels accounting for the RV wall motion in only one direction (either longitudinal, radial, or anteroposterior) were calculated at each time frame using the signed tetrahedron method. Then, the relative contribution of the RV wall motion along the three different directions to global RV ejection fraction was calculated either as the ratio of the given direction's ejection fraction to global ejection fraction and as the frame-by-frame RV volume change (∆V/∆t) along the three motion directions.The ReVISION (Right VentrIcular Separate wall motIon quantificatiON) method may contribute to a better understanding of the pathophysiology of RV mechanical adaptations to different loading conditions and diseases.

  4. Observing Structure and Motion in Molecules with Ultrafast Strong Field and Short Wavelength Laser Radiation

    Energy Technology Data Exchange (ETDEWEB)

    Bucksbaum, Philip H

    2011-04-13

    The term "molecular movie" has come to describe efforts to track and record Angstrom-scale coherent atomic and electronic motion in a molecule. The relevant time scales for this range cover several orders of magnitude, from sub-femtosecond motion associated with electron-electron correlations, to 100-fs internal vibrations, to multi-picosecond motion associated with the dispersion and quantum revivals of molecular reorientation. Conventional methods of cinematography do not work well in this ultrafast and ultrasmall regime, but stroboscopic "pump and probe" techniques can reveal this motion with high fidelity. This talk will describe some of the methods and recent progress in exciting and controlling this motion, using both laboratory lasers and the SLAC Linac Coherent Light Source x-ray free electron laser, and will further try to relate the date to the goal of molecular movies.

  5. Molecular features related to HIV integrase inhibition obtained from structure- and ligand-based approaches.

    Directory of Open Access Journals (Sweden)

    Luciana L de Carvalho

    Full Text Available Among several biological targets to treat AIDS, HIV integrase is a promising enzyme that can be employed to develop new anti-HIV agents. The aim of this work is to propose a mechanistic interpretation of HIV-1 integrase inhibition and to rationalize the molecular features related to the binding affinity of studied ligands. A set of 79 HIV-1 integrase inhibitors and its relationship with biological activity are investigated employing 2D and 3D QSAR models, docking analysis and DFT studies. Analyses of docking poses and frontier molecular orbitals revealed important features on the main ligand-receptor interactions. 2D and 3D models presenting good internal consistency, predictive power and stability were obtained in all cases. Significant correlation coefficients (r(2 = 0.908 and q(2= 0.643 for 2D model; r(2= 0.904 and q(2= 0.719 for 3D model were obtained, indicating the potential of these models for untested compounds. The generated holograms and contribution maps revealed important molecular requirements to HIV-1 IN inhibition and several evidences for molecular modifications. The final models along with information resulting from molecular orbitals, 2D contribution and 3D contour maps should be useful in the design of new inhibitors with increased potency and selectivity within the chemical diversity of the data.

  6. Automated correction of spin-history related motion artefacts in fMRI : Simulated and phantom data

    NARCIS (Netherlands)

    Muresan, L; Renken, R.; Roerdink, J.B.T.M.; Duifhuis, H.

    This paper concerns the problem of correcting spin-history artefacts in fMRI data. We focus on the influence of through-plane motion on the history of magnetization. A change in object position will disrupt the tissue’s steady-state magnetization. The disruption will propagate to the next few

  7. Molecular Age-Related Changes in the Anterior Segment of the Eye

    Directory of Open Access Journals (Sweden)

    Luis Fernando Hernandez-Zimbron

    2017-01-01

    Full Text Available Purpose. To examine the current knowledge about the age-related processes in the anterior segment of the eye at a biological, clinical, and molecular level. Methods. We reviewed the available published literature that addresses the aging process of the anterior segment of the eye and its associated molecular and physiological events. We performed a search on PubMed, CINAHL, and Embase using the MeSH terms “eye,” “anterior segment,” and “age.” We generated searches to account for synonyms of these keywords and MESH headings as follows: (1 “Eye” AND “ageing process” OR “anterior segment ageing” and (2 “Anterior segment” AND “ageing process” OR “anterior segment” AND “molecular changes” AND “age.” Results. Among the principal causes of age-dependent alterations in the anterior segment of the eye, we found the mutation of the TGF-β gene and loss of autophagy in addition to oxidative stress, which contributes to the pathogenesis of degenerative diseases. Conclusions. In this review, we summarize the current knowledge regarding some of the molecular mechanisms related to aging in the anterior segment of the eye. We also introduce and propose potential roles of autophagy, an important mechanism responsible for maintaining homeostasis and proteostasis under stress conditions in the anterior segment during aging.

  8. Molecular cloning of allelopathy related genes and their relation to HHO in Eupatorium adenophorum.

    Science.gov (United States)

    Guo, Huiming; Pei, Xixiang; Wan, Fanghao; Cheng, Hongmei

    2011-10-01

    In this study, conserved sequence regions of HMGR, DXR, and CHS (encoding 3-hydroxy-3-methylglutaryl-CoA reductase, 1-deoxyxylulose-5-phosphate reductoisomerase and chalcone synthase, respectively) were amplified by reverse transcriptase (RT)-PCR from Eupatorium adenophorum. Quantitative real-time PCR showed that the expression of CHS was related to the level of HHO, an allelochemical isolated from E. adenophorum. Semi-quantitative RT-PCR showed that there was no significant difference in expression of genes among three different tissues, except for CHS. Southern blotting indicated that at least three CHS genes are present in the E. adenophorum genome. A full-length cDNA from CHS genes (named EaCHS1, GenBank ID: FJ913888) was cloned. The 1,455 bp cDNA contained an open reading frame (1,206 bp) encoding a protein of 401 amino acids. Preliminary bioinformatics analysis of EaCHS1 revealed that EaCHS1 was a member of CHS family, the subcellular localization predicted that EaCHS1 was a cytoplasmic protein. To the best of our knowledge, this is the first report of conserved sequences of these genes and of a full-length EaCHS1 gene in E. adenophorum. The results indicated that CHS gene is related to allelopathy of E. adenophorum.

  9. THE RELATION BETWEEN MID-PLANE PRESSURE AND MOLECULAR HYDROGEN IN GALAXIES: ENVIRONMENTAL DEPENDENCE

    International Nuclear Information System (INIS)

    Feldmann, Robert; Hernandez, Jose; Gnedin, Nickolay Y.

    2012-01-01

    Molecular hydrogen (H 2 ) is the primary component of the reservoirs of cold, dense gas that fuel star formation in our Galaxy. While the H 2 abundance is ultimately regulated by physical processes operating on small scales in the interstellar medium (ISM), observations have revealed a tight correlation between the ratio of molecular to atomic hydrogen in nearby spiral galaxies and the pressure in the mid-plane of their disks. This empirical relation has been used to predict H 2 abundances in galaxies with potentially very different ISM conditions, such as metal-deficient galaxies at high redshifts. Here, we test the validity of this approach by studying the dependence of the pressure-H 2 relation on environmental parameters of the ISM. To this end, we follow the formation and destruction of H 2 explicitly in a suite of hydrodynamical simulations of galaxies with different ISM parameters. We find that a pressure-H 2 relation arises naturally in our simulations for a variety of dust-to-gas ratios or strengths of the interstellar radiation field in the ISM. Fixing the dust-to-gas ratio and the UV radiation field to values measured in the solar neighborhood results in fair agreement with the relation observed in nearby galaxies with roughly solar metallicity. However, the parameters (slope and normalization) of the pressure-H 2 relation vary in a systematical way with ISM properties. A particularly strong trend is the decrease of the normalization of the relation with a lowering of the dust-to-gas ratio of the ISM. We show how this trend and other properties of the pressure-H 2 relation arise from the atomic-to-molecular phase transition in the ISM caused by a combination of H 2 formation, destruction, and shielding mechanisms.

  10. Motion of the MMS Spacecraft Relative to the Magnetic Reconnection Structure Observed on 16 October 2015 at 1307 UT

    Science.gov (United States)

    Denton, R. E.; Sonnerup, B. U. O.; Hasegawa, H.; Phan, T. D.; Russell, C. T.; Strangeway, R.; Giles, B. L.; Gershman, D.; Torbert, R. B.

    2016-01-01

    We analyze a magnetopause crossing by the Magnetospheric Multiscale (MMS) spacecraft at 1307 UT on 16 October 2016 that showed features of electron-scale reconnection. For this event, we find orthonormal LMN coordinates from the magnetic field, with N and L varying respectively along the maximum gradient and maximum variance directions. We find the motion along N from the Spatio-Temporal Difference analysis and motion along L from measured particle velocities. We locate the position of the magnetic X point, finding that MMS-4 passed within about 1A km from the X point and that MMS-3 and MMS-2 passed within about 1.7 km and 2.4 km, respectively, from the position of maximum out of plane current.

  11. Neurobiology of Chronic Stress-Related Psychiatric Disorders: Evidence from Molecular Imaging Studies

    Science.gov (United States)

    Davis, Margaret T.; Holmes, Sophie E.; Pietrzak, Robert H.; Esterlis, Irina

    2018-01-01

    Chronic stress accounts for billions of dollars of economic loss annually in the United States alone, and is recognized as a major source of disability and mortality worldwide. Robust evidence suggests that chronic stress plays a significant role in the onset of severe and impairing psychiatric conditions, including major depressive disorder, bipolar disorder, and posttraumatic stress disorder. Application of molecular imaging techniques such as positron emission tomography and single photon emission computed tomography in recent years has begun to provide insight into the molecular mechanisms by which chronic stress confers risk for these disorders. The present paper provides a comprehensive review and synthesis of all positron emission tomography and single photon emission computed tomography imaging publications focused on the examination of molecular targets in individuals with major depressive disorder, posttraumatic stress disorder, or bipolar disorder to date. Critical discussion of discrepant findings and broad strengths and weaknesses of the current body of literature is provided. Recommended future directions for the field of molecular imaging to further elucidate the neurobiological substrates of chronic stress-related disorders are also discussed. This article is part of the inaugural issue for the journal focused on various aspects of chronic stress. PMID:29862379

  12. Ridding fMRI data of motion-related influences: Removal of signals with distinct spatial and physical bases in multiecho data.

    Science.gov (United States)

    Power, Jonathan D; Plitt, Mark; Gotts, Stephen J; Kundu, Prantik; Voon, Valerie; Bandettini, Peter A; Martin, Alex

    2018-02-27

    "Functional connectivity" techniques are commonplace tools for studying brain organization. A critical element of these analyses is to distinguish variance due to neurobiological signals from variance due to nonneurobiological signals. Multiecho fMRI techniques are a promising means for making such distinctions based on signal decay properties. Here, we report that multiecho fMRI techniques enable excellent removal of certain kinds of artifactual variance, namely, spatially focal artifacts due to motion. By removing these artifacts, multiecho techniques reveal frequent, large-amplitude blood oxygen level-dependent (BOLD) signal changes present across all gray matter that are also linked to motion. These whole-brain BOLD signals could reflect widespread neural processes or other processes, such as alterations in blood partial pressure of carbon dioxide (pCO 2 ) due to ventilation changes. By acquiring multiecho data while monitoring breathing, we demonstrate that whole-brain BOLD signals in the resting state are often caused by changes in breathing that co-occur with head motion. These widespread respiratory fMRI signals cannot be isolated from neurobiological signals by multiecho techniques because they occur via the same BOLD mechanism. Respiratory signals must therefore be removed by some other technique to isolate neurobiological covariance in fMRI time series. Several methods for removing global artifacts are demonstrated and compared, and were found to yield fMRI time series essentially free of motion-related influences. These results identify two kinds of motion-associated fMRI variance, with different physical mechanisms and spatial profiles, each of which strongly and differentially influences functional connectivity patterns. Distance-dependent patterns in covariance are nearly entirely attributable to non-BOLD artifacts.

  13. Consideration on the relation between dynamic seismic motion and static seismic coefficient for the earthquake proof design of slope around nuclear power plant

    International Nuclear Information System (INIS)

    Ito, Hiroshi; Kitahara, Yoshihiro; Hirata, Kazuta

    1986-01-01

    When the large cutting slopes are constructed closed to around nuclear power plants, it is important to evaluate the stability of the slopes during the strong earthquake. In the evaluation, it may be useful to clarify relationship between the static seismic coefficient and dynamic seismic force corresponded to the basic seismic motion which is specified for designing the nuclear power facilities. To investigate this relation some numerical analyses are conducted in this paper. As the results, it is found that dynamic forces considering the amplified responses of the slopes subjected to the basic seismic motion with a peak acceleration of 500 gals at the toe of the slopes, are approximately equal to static seismic force which generates in the slopes when the seismic coefficients of k = 0.3 is applied. (author)

  14. Giant molecular cloud scaling relations: the role of the cloud definition

    Science.gov (United States)

    Khoperskov, S. A.; Vasiliev, E. O.; Ladeyschikov, D. A.; Sobolev, A. M.; Khoperskov, A. V.

    2016-01-01

    We investigate the physical properties of molecular clouds in disc galaxies with different morphologies: a galaxy without prominent structure, a spiral barred galaxy and a galaxy with flocculent structure. Our N-body/hydrodynamical simulations take into account non-equilibrium H2 and CO chemical kinetics, self-gravity, star formation and feedback processes. For the simulated galaxies, the scaling relations of giant molecular clouds, or so-called Larson's relations, are studied for two types of cloud definition (or extraction method): the first is based on total column density position-position (PP) data sets and the second is indicated by the CO (1-0) line emission used in position-position-velocity (PPV) data. We find that the cloud populations obtained using both cloud extraction methods generally have similar physical parameters, except that for the CO data the mass spectrum of clouds has a tail with low-mass objects M ˜ 103-104 M⊙. Owing toa varying column density threshold, the power-law indices in the scaling relations are significantly changed. In contrast, the relations are invariant to the CO brightness temperature threshold. Finally, we find that the mass spectra of clouds for PPV data are almost insensitive to the galactic morphology, whereas the spectra for PP data demonstrate significant variation.

  15. THE X-FACTOR IN GALAXIES. II. THE MOLECULAR-HYDROGEN-STAR-FORMATION RELATION

    Energy Technology Data Exchange (ETDEWEB)

    Feldmann, Robert; Gnedin, Nickolay Y.; Kravtsov, Andrey V.

    2012-10-08

    There is ample observational evidence that the star formation rate (SFR) surface density, Sigma_SFR, is closely correlated with the surface density of molecular hydrogen, Sigma_H2. This empirical relation holds both for galaxy-wide averages and for individual >=kpc sized patches of the interstellar medium (ISM), but appears to degrade substantially at a sub-kpc scale. Identifying the physical mechanisms that determine the scale-dependent properties of the observed Sigma_H2-Sigma_SFR relation remains a challenge from a theoretical perspective. To address this question, we analyze the slope and scatter of the Sigma_H2-Sigma_SFR relation using a set of cosmological, galaxy formation simulations with a peak resolution of ~100 pc. These simulations include a chemical network for molecular hydrogen, a model for the CO emission, and a simple, stochastic prescription for star formation that operates on ~100 pc scales. Specifically, star formation is modeled as a Poisson process in which the average SFR is directly proportional to the present mass of H2. The predictions of our numerical model are in good agreement with the observed Kennicutt-Schmidt and Sigma_H2-Sigma_SFR relations. We show that observations based on CO emission are ill suited to reliably measure the slope of the latter relation at low (<20 M_sun pc^-2) H2 surface densities on sub-kpc scales. Our models also predict that the inferred Sigma_H2-Sigma_SFR relation steepens at high H2 surface densities as a result of the surface density dependence of the CO/H2 conversion factor. Finally, we show that on sub-kpc scales most of the scatter in the relation is a consequence of discreteness effects in the star formation process. In contrast, variations of the CO/H2 conversion factor are responsible for most of the scatter measured on super-kpc scales.

  16. Adsorption and double layer charging in molecular sieve carbons in relation to molecular dimensions and pore structures

    International Nuclear Information System (INIS)

    Koresh, J.

    1982-09-01

    The pore structure of a fibrous carbon molecular sieve was studied by adsorption of molecular probes. Mild activation steps enabled the graduated opening of critical pore dimensions in the range 3.1-5.0 A, which keeps adsorption selectivity between molecules differing by 0.2 A in cross section diameter, to be considerably greater than 100/1. High adsorption stereospecificity over a wide pore dimension range enabled the studied adsorbates to be ordered in a sequence of increasing critical molecular dimension. Estimation of molecular dimensions by various experimental methods was discussed and their relevance to nonspherical molecules was evaluated. Polar molecules assume different dimensions depending on whether the carbon surface was polar (oxidized) or not. Hydrogen acquires, surprisingly, large width in accordance with its high liquid molar volume. Adsorbent-adsorbate interactions play a crucial role in determining molecular dimensions. Adsorption of ions from aqueous solutions into the developed ultramicropores of fibrous carbon electrodes was also studied. The dependence of the double layer capacitance and the charging rate on the pore critical dimension and on surface oxidation was studied using linear potential sweep voltametry. (Author)

  17. G 126.1-0.8-14: A molecular shell related to Sh2-187

    Science.gov (United States)

    Cichowolski, S.; Pineault, S.; Gamen, R.; Ortega, M. E.; Arnal, E. M.; Suad, L. A.

    2014-10-01

    We present a multi-wavelength study of a region where a well defined molecular shell, named G 126.1-0.8-14, is observed. The distance of G 126.1-0.8-14 is about 1 kpc. Based on HI and CO data we analyze the atomic and molecular gas related to the structure and estimate its main physical properties. From the radio continuum and infrared data we analyze whether the emission associated with G 126.1-0.8-14 has a thermal origin. To disentangle the possible origin of the shell, and given the lack of catalogued O-type stars in the area, we observed with GEMINI the spectra of four OB stars located in projection inside the shell, to get their accurate spectral types and distances. The young HII region Sh2-187 is located onto the densest part of this molecular shell. A search for young stellar object candidates (cYSOs) was made using infrared point source catalogs. Several cYSOs are found spread out onto the shell. Based on all the available data, we discuss the possible origin of G 126.1-0.8-14 as well as its role in the formation of a new generation of stars.

  18. Molecular marker differences relate to developmental position and subsets of mesodiencephalic dopaminergic neurons.

    Directory of Open Access Journals (Sweden)

    Simone M Smits

    Full Text Available The development of mesodiencephalic dopaminergic (mdDA neurons located in the substantia nigra compacta (SNc and ventral tegmental area (VTA follow a number of stages marked by distinct events. After preparation of the region by signals that provide induction and patterning, several transcription factors have been identified, which are involved in specifying the neuronal fate of these cells. The specific vulnerability of SNc neurons is thought to root in these specific developmental programs. The present study examines the positions of young postmitotic mdDA neurons to relate developmental position to mdDA subset specific markers. MdDA neurons were mapped relative to the neuromeric domains (prosomeres 1-3 (P1-3, midbrain, and hindbrain as well as the longitudinal subdivisions (floor plate, basal plate, alar plate, as proposed by the prosomeric model. We found that postmitotic mdDA neurons are located mainly in the floorplate domain and very few in slightly more lateral domains. Moreover, mdDA neurons are present along a large proportion of the anterior/posterior axis extending from the midbrain to P3 in the diencephalon. The specific positions relate to some extent to the presence of specific subset markers as Ahd2. In the adult stage more of such subsets specific expressed genes are present and may represent a molecular map defining molecularly distinct groups of mdDA neurons.

  19. PHIBSS: Unified Scaling Relations of Gas Depletion Time and Molecular Gas Fractions

    Science.gov (United States)

    Tacconi, L. J.; Genzel, R.; Saintonge, A.; Combes, F.; García-Burillo, S.; Neri, R.; Bolatto, A.; Contini, T.; Förster Schreiber, N. M.; Lilly, S.; Lutz, D.; Wuyts, S.; Accurso, G.; Boissier, J.; Boone, F.; Bouché, N.; Bournaud, F.; Burkert, A.; Carollo, M.; Cooper, M.; Cox, P.; Feruglio, C.; Freundlich, J.; Herrera-Camus, R.; Juneau, S.; Lippa, M.; Naab, T.; Renzini, A.; Salome, P.; Sternberg, A.; Tadaki, K.; Übler, H.; Walter, F.; Weiner, B.; Weiss, A.

    2018-02-01

    This paper provides an update of our previous scaling relations between galaxy-integrated molecular gas masses, stellar masses, and star formation rates (SFRs), in the framework of the star formation main sequence (MS), with the main goal of testing for possible systematic effects. For this purpose our new study combines three independent methods of determining molecular gas masses from CO line fluxes, far-infrared dust spectral energy distributions, and ∼1 mm dust photometry, in a large sample of 1444 star-forming galaxies between z = 0 and 4. The sample covers the stellar mass range log(M */M ⊙) = 9.0–11.8, and SFRs relative to that on the MS, δMS = SFR/SFR(MS), from 10‑1.3 to 102.2. Our most important finding is that all data sets, despite the different techniques and analysis methods used, follow the same scaling trends, once method-to-method zero-point offsets are minimized and uncertainties are properly taken into account. The molecular gas depletion time t depl, defined as the ratio of molecular gas mass to SFR, scales as (1 + z)‑0.6 × (δMS)‑0.44 and is only weakly dependent on stellar mass. The ratio of molecular to stellar mass μ gas depends on (1+z{)}2.5× {(δ {MS})}0.52× {({M}* )}-0.36, which tracks the evolution of the specific SFR. The redshift dependence of μ gas requires a curvature term, as may the mass dependences of t depl and μ gas. We find no or only weak correlations of t depl and μ gas with optical size R or surface density once one removes the above scalings, but we caution that optical sizes may not be appropriate for the high gas and dust columns at high z. Based on observations of an IRAM Legacy Program carried out with the NOEMA, operated by the Institute for Radio Astronomy in the Millimetre Range (IRAM), which is funded by a partnership of INSU/CNRS (France), MPG (Germany), and IGN (Spain).

  20. String-like collective motion in the α- and β-relaxation of a coarse-grained polymer melt

    Science.gov (United States)

    Pazmiño Betancourt, Beatriz A.; Starr, Francis W.; Douglas, Jack F.

    2018-03-01

    Relaxation in glass-forming liquids occurs as a multi-stage hierarchical process involving cooperative molecular motion. First, there is a "fast" relaxation process dominated by the inertial motion of the molecules whose amplitude grows upon heating, followed by a longer time α-relaxation process involving both large-scale diffusive molecular motion and momentum diffusion. Our molecular dynamics simulations of a coarse-grained glass-forming polymer melt indicate that the fast, collective motion becomes progressively suppressed upon cooling, necessitating large-scale collective motion by molecular diffusion for the material to relax approaching the glass-transition. In each relaxation regime, the decay of the collective intermediate scattering function occurs through collective particle exchange motions having a similar geometrical form, and quantitative relationships are derived relating the fast "stringlet" collective motion to the larger scale string-like collective motion at longer times, which governs the temperature-dependent activation energies associated with both thermally activated molecular diffusion and momentum diffusion.

  1. Joint Inversion of 1-Hz GPS Data and Strong Motion Records for the Rupture Process of the 2008 Iwate-Miyagi Nairiku Earthquake: Objectively Determining Relative Weighting

    Science.gov (United States)

    Wang, Z.; Kato, T.; Wang, Y.

    2015-12-01

    The spatiotemporal fault slip history of the 2008 Iwate-Miyagi Nairiku earthquake, Japan, is obtained by the joint inversion of 1-Hz GPS waveforms and near-field strong motion records. 1-Hz GPS data from GEONET is processed by GAMIT/GLOBK and then a low-pass filter of 0.05 Hz is applied. The ground surface strong motion records from stations of K-NET and Kik-Net are band-pass filtered for the range of 0.05 ~ 0.3 Hz and integrated once to obtain velocity. The joint inversion exploits a broader frequency band for near-field ground motions, which provides excellent constraints for both the detailed slip history and slip distribution. A fully Bayesian inversion method is performed to simultaneously and objectively determine the rupture model, the unknown relative weighting of multiple data sets and the unknown smoothing hyperparameters. The preferred rupture model is stable for different choices of velocity structure model and station distribution, with maximum slip of ~ 8.0 m and seismic moment of 2.9 × 1019 Nm (Mw 6.9). By comparison with the single inversion of strong motion records, the cumulative slip distribution of joint inversion shows sparser slip distribution with two slip asperities. One common slip asperity extends from the hypocenter southeastward to the ground surface of breakage; another slip asperity, which is unique for joint inversion contributed by 1-Hz GPS waveforms, appears in the deep part of fault where very few aftershocks are occurring. The differential moment rate function of joint and single inversions obviously indicates that rich high frequency waves are radiated in the first three seconds but few low frequency waves.

  2. Therapy related-chronic myelomonocytic leukemia (CMML): Molecular, cytogenetic, and clinical distinctions from de novo CMML.

    Science.gov (United States)

    Patnaik, Mrinal M; Vallapureddy, Rangit; Yalniz, Fevzi F; Hanson, Curtis A; Ketterling, Rhett P; Lasho, Terra L; Finke, Christy; Al-Kali, Aref; Gangat, Naseema; Tefferi, Ayalew

    2018-01-01

    Therapy related myeloid neoplasms (t-MN) including therapy related myelodysplastic syndromes (t-MDS) and acute myeloid leukemia (t-AML) are associated with aggressive disease biologies and poor outcomes. In this large (n = 497) and informative (inclusive of molecular and cytogenetic information) chronic myelomonocytic leukemia (CMML) patient cohort, we demonstrate key biological insights and an independent prognostic impact for t-CMML. T-CMML was diagnosed in 9% of patients and occurred approximately 7 years after exposure to prior chemotherapy and/or radiation therapy. In comparison to de novo CMML, t-CMML patients had higher LDH levels, higher frequency of karyotypic abnormalities and had higher risk cytogenetic stratification. There were no differences in the distribution of gene mutations and unlike t-MDS/AML, balanced chromosomal translocations, abnormalities of chromosome 11q23 (1%) and Tp53 mutations (<2%) were uncommon. Molecularly integrated CMML prognostic models were not effective in risk stratifying t-CMML patients and responses to hypomethylating agents were dismal with no complete responses. Median overall (OS) and leukemia free survival (LFS) was shorter for t-CMML in comparison to d-CMML (Median OS 10.9 vs 26 months and median LFS 50 vs 127 months) and t-CMML independently and adversely impacted OS (P = .0001 HR 2.1 95% CI 1.4-3.0). This prognostic impact was retained in the context of the Mayo Molecular Model (P = .001, HR 2.4, 95% CI 1.5-3.7) and the GFM prognostic model (P < .0001, HR 2.15, 95% CI 1.5-3.7). In summary, we highlight the unique genetics and independent prognostic impact of t-CMML, warranting its inclusion as a separate entity in the classification schema for both CMML and t-MN. © 2017 Wiley Periodicals, Inc.

  3. Tumour biology of obesity-related cancers: understanding the molecular concept for better diagnosis and treatment.

    Science.gov (United States)

    Teoh, Seong Lin; Das, Srijit

    2016-11-01

    Obesity continues to be a major global problem. Various cancers are related to obesity and proper understanding of their aetiology, especially their molecular tumour biology is important for early diagnosis and better treatment. Genes play an important role in the development of obesity. Few genes such as leptin, leptin receptor encoded by the db (diabetes), pro-opiomelanocortin, AgRP and NPY and melanocortin-4 receptors and insulin-induced gene 2 were linked to obesity. MicroRNAs control gene expression via mRNA degradation and protein translation inhibition and influence cell differentiation, cell growth and cell death. Overexpression of miR-143 inhibits tumour growth by suppressing B cell lymphoma 2, extracellular signal-regulated kinase-5 activities and KRAS oncogene. Cancers of the breast, uterus, renal, thyroid and liver are also related to obesity. Any disturbance in the production of sex hormones and insulin, leads to distortion in the balance between cell proliferation, differentiation and apoptosis. The possible mechanism linking obesity to cancer involves alteration in the level of adipokines and sex hormones. These mediators act as biomarkers for cancer progression and act as targets for cancer therapy and prevention. Interestingly, many anti-cancerous drugs are also beneficial in treating obesity and vice versa. We also reviewed the possible link in the mechanism of few drugs which act both on cancer and obesity. The present review may be important for molecular biologists, oncologists and clinicians treating cancers and also pave the way for better therapeutic options.

  4. [Cardiofaciocutaneous syndrome, a Noonan syndrome related disorder: clinical and molecular findings in 11 patients].

    Science.gov (United States)

    Carcavilla, Atilano; García-Miñaúr, Sixto; Pérez-Aytés, Antonio; Vendrell, Teresa; Pinto, Isabel; Guillén-Navarro, Encarna; González-Meneses, Antonio; Aoki, Yoko; Grinberg, Daniel; Ezquieta, Begoña

    2015-01-20

    To describe 11 patients with cardiofaciocutaneous syndrome (CFC) and compare them with 130 patients with other RAS-MAPK syndromes (111 Noonan syndrome patients [NS] and 19 patients with LEOPARD syndrome). Clinical data from patients submitted for genetic analysis were collected. Bidirectional sequencing analysis of PTPN11, SOS1, RAF1, BRAF, and MAP2K1 focused on exons carrying recurrent mutations, and of all KRAS exons were performed. Six different mutations in BRAF were identified in 9 patients, as well as 2 MAP2K1 mutations. Short stature, developmental delay, language difficulties and ectodermal anomalies were more frequent in CFC patients when compared with other neuro-cardio-faciocutaneous syndromes (P<.05). In at least 2 cases molecular testing helped reconsider the diagnosis. CFC patients showed a rather severe phenotype but at least one patient with BRAF mutation showed no developmental delay, which illustrates the variability of the phenotypic spectrum caused by BRAF mutations. Molecular genetic testing is a valuable tool for differential diagnosis of CFC and NS related disorders. Copyright © 2014 Elsevier España, S.L.U. All rights reserved.

  5. Molecular Characterization of Natural Hybrids Formed between Five Related Indigenous Clade 6 Phytophthora Species

    Science.gov (United States)

    Burgess, Treena I.

    2015-01-01

    Most Phytophthora hybrids characterized to date have emerged from nurseries and managed landscapes, most likely generated as a consequence of biological invasions associated with the movement of living plants and germplasm for ornamental, horticultural and agricultural purposes. Presented here is evidence for natural hybridization among a group of five closely related indigenous clade 6 Phytophthora species isolated from waterways and riparian ecosystems in Western Australia. Molecular characterization of hybrids consisted of cloning and sequencing two nuclear genes (ITS and ASF), sequencing of two further nuclear loci (BT and HSP) and of two mitochondrial loci (COI and NADH). Additionally, phenotypic traits including morphology of sporangia and optima and maxima temperatures for growth were also determined. In most cases the nuclear genes were biparentally and in all cases the mtDNA were uniparentally inherited, indicating hybrid formation through sexual crosses. Some isolates bear the molecular signature of three parents suggesting additional hybrid events, although it cannot be determined from the data if these were sequential or simultaneous. These species and their hybrids co-exist in riparian ecosystems and waterways where their ability for rapid asexual proliferation would enable them to rapidly colonize green plant litter. The apparent ease of hybridization could eventually lead to the merging of species through introgression. However, at this point in time, species integrity has been maintained and a more likely scenario is that the hybrids are not stable evolutionary lineages, but rather transient hybrid clones. PMID:26248187

  6. Challenges and future direction of molecular research in air pollution-related lung cancers.

    Science.gov (United States)

    Shahadin, Maizatul Syafinaz; Ab Mutalib, Nurul Syakima; Latif, Mohd Talib; Greene, Catherine M; Hassan, Tidi

    2018-04-01

    Hazardous air pollutants or chemical release into the environment by a variety of natural and/or anthropogenic activities may give adverse effects to human health. Air pollutants such as sulphur dioxide (SO2), nitrogen oxides (NOx), carbon monoxide (CO), heavy metals and particulate matter (PM) affect number of different human organs, especially the respiratory system. The International Agency for Research on Cancer (IARC) reported that ambient air pollution is a cause of lung cancer. Recently, the agency has classified outdoor air pollution as well as PM air pollution as Group 1 carcinogens. In addition, several epidemiological studies have shown a positive association between air pollutants to lung cancer risks and mortality. However, there are only a few studies examining the molecular effects of air pollution exposure specifically in lung cancer due to multiple challenges to mimic air pollution exposure in basic experimentation. Another major issue is the lack of adequate adjustments for exposure misclassification as air pollution may differ temporo-spatially and socioeconomically. Thus, the purpose of this paper is to review the current molecular understanding of air pollution-related lung cancer and potential future direction in this challenging yet important research field. Copyright © 2018 Elsevier B.V. All rights reserved.

  7. Optimizing ultrasound molecular imaging of secreted frizzled related protein 2 expression in angiosarcoma.

    Directory of Open Access Journals (Sweden)

    James K Tsuruta

    Full Text Available Secreted frizzled related protein 2 (SFRP2 is a tumor endothelial marker expressed in angiosarcoma. Previously, we showed ultrasound molecular imaging with SFRP2-targeted contrast increased average video pixel intensity (VI of angiosarcoma vessels by 2.2 ± 0.6 VI versus streptavidin contrast. We hypothesized that redesigning our contrast agents would increase imaging performance. Improved molecular imaging reagents were created by combining NeutrAvidin™-functionalized microbubbles with biotinylated SFRP2 or IgY control antibodies. When angiosarcoma tumors in nude mice reached 8 mm, time-intensity, antibody loading, and microbubble dose experiments optimized molecular imaging. 10 minutes after injection, the control-subtracted time-intensity curve (TIC for SFRP2-targeted contrast reached a maximum, after subtracting the contribution of free-flowing contrast. SFRP2 antibody-targeted VI was greater when contrast was formulated with 10-fold molar excess of maleimide-activated NeutrAvidin™ versus 3-fold (4.5 ± 0.18 vs. 0.32 ± 0.15, VI ± SEM, 5 x 106 dose, p < 0.001. Tumor vasculature returned greater average video pixel intensity using 5 x 107 versus 5 x 106 microbubbles (21.2 ± 2.5 vs. 4.5 ± 0.18, p = 0.0011. Specificity for tumor vasculature was confirmed by low VI for SFRP2-targeted, and control contrast in peri-tumoral vasculature (3.2 ± 0.52 vs. 1.6 ± 0.71, p = 0.92. After optimization, average video pixel intensity of tumor vasculature was 14.2 ± 3.0 VI units higher with SFRP2-targeted contrast versus IgY-targeted control (22.1 ± 2.5 vs. 7.9 ± 1.6, p < 0.001. After log decompression, 14.2 ΔVI was equal to ~70% higher signal, in arbitray acoustic units (AU, for SFRP2 versus IgY. This provided ~18- fold higher acoustic signal enhancement than provided previously by 2.2 ΔVI. Basing our targeted contrast on NeutrAvidin™-functionalized microbubbles, using IgY antibodies for our control contrast, and optimizing our imaging protocol

  8. Calculation of the factor of the time's relativity in quantum area for different atoms based on the `Substantial motion' theory of Mulla Sadra

    Science.gov (United States)

    Gholibeigian, Hassan

    2015-03-01

    Iranian Philosopher, Mulla Sadra (1571-1640) in his theory of ``Substantial motion'' emphasized that ``the universe moves in its entity'', and ``the time is the fourth dimension of the universe'' This definition of space-time is proposed by him at three hundred years before Einstein. He argued that the time is magnitude of the motion (momentum) of the matter in its entity. In the other words, the time for each atom (body) is sum of the momentums of its involved fundamental particles. The momentum for each atom is different from the other atoms. In this methodology, by proposing some formulas, we can calculate the time for involved particles' momentum (time) for each atom in a second of the Eastern Time Zone (ETZ). Due to differences between these momentums during a second in ETZ, the time for each atom, will be different from the other atoms. This is the relativity in quantum physics. On the other hand, the God communicates with elementary particles via sub-particles (see my next paper) and transfers the packages (bit) of information and laws to them for processing and selection of their next step. Differences between packages like complexity and velocity of processing during the time, is the second variable in relativity of time for each atom which may be effective on the factor.

  9. Crystallographic and molecular dynamics analysis of loop motions unmasking the peptidoglycan-binding site in stator protein MotB of flagellar motor.

    Directory of Open Access Journals (Sweden)

    Cyril F Reboul

    Full Text Available BACKGROUND: The C-terminal domain of MotB (MotB-C shows high sequence similarity to outer membrane protein A and related peptidoglycan (PG-binding proteins. It is believed to anchor the power-generating MotA/MotB stator unit of the bacterial flagellar motor to the peptidoglycan layer of the cell wall. We previously reported the first crystal structure of this domain and made a puzzling observation that all conserved residues that are thought to be essential for PG recognition are buried and inaccessible in the crystal structure. In this study, we tested a hypothesis that peptidoglycan binding is preceded by, or accompanied by, some structural reorganization that exposes the key conserved residues. METHODOLOGY/PRINCIPAL FINDINGS: We determined the structure of a new crystalline form (Form B of Helicobacter pylori MotB-C. Comparisons with the existing Form A revealed conformational variations in the petal-like loops around the carbohydrate binding site near one end of the β-sheet. These variations are thought to reflect natural flexibility at this site required for insertion into the peptidoglycan mesh. In order to understand the nature of this flexibility we have performed molecular dynamics simulations of the MotB-C dimer. The results are consistent with the crystallographic data and provide evidence that the three loops move in a concerted fashion, exposing conserved MotB residues that have previously been implicated in binding of the peptide moiety of peptidoglycan. CONCLUSION/SIGNIFICANCE: Our structural analysis provides a new insight into the mechanism by which MotB inserts into the peptidoglycan mesh, thus anchoring the power-generating complex to the cell wall.

  10. Merging constitutional and motional covalent dynamics in reversible imine formation and exchange processes.

    Science.gov (United States)

    Kovaříček, Petr; Lehn, Jean-Marie

    2012-06-06

    The formation and exchange processes of imines of salicylaldehyde, pyridine-2-carboxaldehyde, and benzaldehyde have been studied, showing that the former has features of particular interest for dynamic covalent chemistry, displaying high efficiency and fast rates. The monoimines formed with aliphatic α,ω-diamines display an internal exchange process of self-transimination type, inducing a local motion of either "stepping-in-place" or "single-step" type by bond interchange, whose rate decreases rapidly with the distance of the terminal amino groups. Control of the speed of the process over a wide range may be achieved by substituents, solvent composition, and temperature. These monoimines also undergo intermolecular exchange, thus merging motional and constitutional covalent behavior within the same molecule. With polyamines, the monoimines formed execute internal motions that have been characterized by extensive one-dimensional, two-dimensional, and EXSY proton NMR studies. In particular, with linear polyamines, nondirectional displacement occurs by shifting of the aldehyde residue along the polyamine chain serving as molecular track. Imines thus behave as simple prototypes of systems displaying relative motions of molecular moieties, a subject of high current interest in the investigation of synthetic and biological molecular motors. The motional processes described are of dynamic covalent nature and take place without change in molecular constitution. They thus represent a category of dynamic covalent motions, resulting from reversible covalent bond formation and dissociation. They extend dynamic covalent chemistry into the area of molecular motions. A major further step will be to achieve control of directionality. The results reported here for imines open wide perspectives, together with other chemical groups, for the implementation of such features in multifunctional molecules toward the design of molecular devices presenting a complex combination of

  11. Chloroplast genome resources and molecular markers differentiate rubber dandelion species from weedy relatives.

    Science.gov (United States)

    Zhang, Yingxiao; Iaffaldano, Brian J; Zhuang, Xiaofeng; Cardina, John; Cornish, Katrina

    2017-02-02

    Rubber dandelion (Taraxacum kok-saghyz, TK) is being developed as a domestic source of natural rubber to meet increasing global demand. However, the domestication of TK is complicated by its colocation with two weedy dandelion species, Taraxacum brevicorniculatum (TB) and the common dandelion (Taraxacum officinale, TO). TB is often present as a seed contaminant within TK accessions, while TO is a pandemic weed, which may have the potential to hybridize with TK. To discriminate these species at the molecular level, and facilitate gene flow studies between the potential rubber crop, TK, and its weedy relatives, we generated genomic and marker resources for these three dandelion species. Complete chloroplast genome sequences of TK (151,338 bp), TO (151,299 bp), and TB (151,282 bp) were obtained using the Illumina GAII and MiSeq platforms. Chloroplast sequences were analyzed and annotated for all the three species. Phylogenetic analysis within Asteraceae showed that TK has a closer genetic distance to TB than to TO and Taraxacum species were most closely related to lettuce (Lactuca sativa). By sequencing multiple genotypes for each species and testing variants using gel-based methods, four chloroplast Single Nucleotide Polymorphism (SNP) variants were found to be fixed between TK and TO in large populations, and between TB and TO. Additionally, Expressed Sequence Tag (EST) resources developed for TO and TK permitted the identification of five nuclear species-specific SNP markers. The availability of chloroplast genomes of these three dandelion species, as well as chloroplast and nuclear molecular markers, will provide a powerful genetic resource for germplasm differentiation and purification, and the study of potential gene flow among Taraxacum species.

  12. MHD accelerated motion on a body placed symmetrical to the flow in the presence of transverse magnetic field fixed relative to the body

    International Nuclear Information System (INIS)

    Goyal, Mamta; Bansal, J.L.

    1993-01-01

    The growth of the boundary layer in an accelerated flow of an electricity conducting fluid past a symmetrical placed body in the presence of uniform transverse magnetic field fixed relative to the body has been studied. The boundary layer equation has been solved by using a method previously developed by Pozzi, based on expressing the unknown velocity in term of an error function and on using differential and integral relations obtained from the balance equation. As examples, the impulsive flow past a circular cylinder and uniformly accelerated flow over a flat plate are considered. It is found that the effect of the magnetic field is to decelerate the fluid motion which results in an earlier boundary layer separation in the impulsive flow past a circular cylinder. The results show a good agreement with the numerical data available in the literature. (author). 30 refs., 4 figs., 2 tabs

  13. Engineering description of the OMS/RCS/DAP modes used in the HP-9825A High Fidelity Relative Motion Program (HFRMP)

    Science.gov (United States)

    Wilson, S. W.

    1978-01-01

    Simplified mathematical models are reported for the space shuttle's Orbital Maneuvering System (OMS), Reaction Control System (RCS), and on-orbit Digital Autopilot (DAP) that have been incorporated in the High-Fidelity Relative Motion Program (HFRMP) for the HP-9825A desk-top calculator. Comparisons were made between data generated by the HFRMP and by the Space Shuttle Functional Simulator (SSFS), which models the cited shuttle systems in much greater detail. These data include propellant requirements for representative translational maneuvers, rotational maneuvers, and attitude maintenance options. Also included are data relating to on-orbit trajectory deviations induced by RCS translational cross coupling. Potential close-range stationkeeping problems that are suggested by HFRMP simulations of 80 millisecond (as opposed to 40 millisecond) DAP cycle effects are described. The principal function of the HFRMP is to serve as a flight design tool in the area of proximity operations.

  14. THE RELATION BETWEEN GAS AND DUST IN THE TAURUS MOLECULAR CLOUD

    International Nuclear Information System (INIS)

    Pineda, Jorge L.; Goldsmith, Paul F.; Chapman, Nicholas; Li Di; Snell, Ronald L.; Cambresy, Laurent; Brunt, Chris

    2010-01-01

    We report a study of the relation between dust and gas over a 100 deg 2 area in the Taurus molecular cloud. We compare the H 2 column density derived from dust extinction with the CO column density derived from the 12 CO and 13 CO J = 1 → 0 lines. We derive the visual extinction from reddening determined from 2MASS data. The comparison is done at an angular size of 200'' corresponding to 0.14 pc at a distance of 140 pc. We find that the relation between visual extinction A V and N(CO) is linear between A V ≅ 3 and 10 mag in the region associated with the B213-L1495 filament. In other regions, the linear relation is flattened for A V ∼> 4 mag. We find that the presence of temperature gradients in the molecular gas affects the determination of N(CO) by ∼30%-70% with the largest difference occurring at large column densities. Adding a correction for this effect and accounting for the observed relation between the column density of CO and CO 2 ices and A V , we find a linear relationship between the column of carbon monoxide and dust for observed visual extinctions up to the maximum value in our data ≅23 mag. We have used these data to study a sample of dense cores in Taurus. Fitting an analytical column density profile to these cores we derive an average volume density of about 1.4 x 10 4 cm -3 and a CO depletion age of about 4.2 x 10 5 yr. At visual extinctions smaller than ∼3 mag, we find that the CO fractional abundance is reduced by up to two orders of magnitude. The data show a large scatter suggesting a range of physical conditions of the gas. We estimate the H 2 mass of Taurus to be about 1.5 x 10 4 M sun , independently derived from the A V and N(CO) maps. We derive a CO integrated intensity to H 2 conversion factor of about 2.1 x 10 20 cm -2 (K km s -1 ) -1 , which applies even in the region where the [CO]/[H 2 ] ratio is reduced by up to two orders of magnitude. The distribution of column densities in our Taurus maps resembles a log

  15. Gender-related differences in lower limb alignment, range of joint motion, and the incidence of sports injuries in Japanese university athletes.

    Science.gov (United States)

    Mitani, Yasuhiro

    2017-01-01

    [Purpose] To investigate the gender-related differences in lower limb alignment, range of joint motion, and history of lower limb sports injuries in Japanese university athletes. [Subjects and Methods] The subjects were 224 Japanese university athletes (154 males and 70 females). The quadriceps angle (Q-angle), arch height index, and ranges of internal and external rotation of the hip joints were measured. History of lower limb sports injury was surveyed using a questionnaire. [Results] Females had a significantly higher Q-angle and hip joint internal rotation angle and a significantly lower arch height index than males. The survey revealed that a significantly higher proportion of females had a history of lower limb sports injuries, and that the proportion of those with a history of foot/ankle injuries was particularly high. [Conclusion] These results suggested that females experience more lower limb sports injuries than males, and that a large proportion of these injuries involve the foot/ankle. Reduced lower limb alignment and increased range of joint motion in females may be risk factors for injury because they lead to increased physical stress being exerted on the lower legs during sporting activities.

  16. Molecular diagnostics of FUV and accretion-related heating in protoplanetary disks

    Science.gov (United States)

    Adamkovics, Mate; Najita, Joan R.

    2017-10-01

    Emission lines from the terrestrial planet forming regions of disks are diagnostic of both the physical processes that heat the gas and the chemistry that determines the inventory of nebular material available during the epoch of planet formation. Interpreting emission spectra is informed by models of radiative, thermal, physical, and chemical processes, such as: (i) the radiation transfer of X-rays and FUV --- both continuum and Ly-alpha, (ii) direct and indirect heating processes such as the photoelectric effect and photochemical heating, (iii) heating related to turbulent processes and viscous dissipation, and (iv) gas phase chemical reaction kinetics. Many of these processes depend on a the spatial distribution of dust grains and their properties, which temporally evolve during the lifetime of the disk and the formation of planets. Studies of disks atmospheres often predict a layered structure of hot (a few thousand K) atomic gas overlying warm (a few hundred K) molecular gas, which is generally consistent with the isothermal slab emission models that are used to interpret emission spectra. However, detailed comparison between observed spectra and models (e.g., comparing the total columns and the radial extent of warm emitting species) is rare.We present results including the implementation of Ly-alpha scattering, which is an important part of the photochemical heating and FUV heating radiation budget. By including these processes we find a new component of the disk atmosphere; hot molecular gas at ~2000K within radial distances of ~0.5AU, which is consistent with observations of UV-fluorescent H2 emission (Ádámkovics, Najita & Glassgold, 2016). Constraining the most optimistic contribution of radiative heating mechanisms via X-rays and FUV together with a favorable comparison to observations, allows us to explore and evaluate additional heating mechanisms. We find that the total columns of warm (90-400K) emitting molecules such as CO, arising directly below

  17. Topography of somatostatin gene expression relative to molecular progenitor domains during ontogeny of the mouse hypothalamus

    Directory of Open Access Journals (Sweden)

    Nicanor eMorales-Delgado

    2011-02-01

    Full Text Available The hypothalamus comprises alar, basal and floor plate developmental compartments. Recent molecular data support a rostro-caudal subdivision into rostral (terminal and caudal (peduncular halves. In this context, the distribution of neuronal populations expressing somatostatin (Sst mRNA was analyzed in the developing mouse hypothalamus, comparing with the expression pattern of the genes Orthopedia (Otp, Distal-less 5 (Dlx5, Sonic Hedgehog (Shh and Nk2 homeobox 1 (Nkx2.1. At embryonic day 10.5 (E10.5, Sst mRNA was first detectable in the anterobasal nucleus, a Nkx2.1-, Shh- and Otp- positive basal domain. By E13.5, nascent Sst expression was also related to two additional Otp-positive domains within the alar plate and one in the basal plate. In the alar plate, Sst-positive cells were observed in rostral and caudal ventral subdomains of the Otp-positive paraventricular complex. An additional basal Sst-expressing cell group was found within a longitudinal Otp-positive periretromamillary band that separates the retromamillary area from tuberal areas. Apart of subsequent growth of these initial populations, at E13.5 and E15.5 some Sst-positive derivatives migrate tangentially into neighboring regions. A subset of cells produced at the anterobasal nucleus disperses ventralwards into the shell of the ventromedial hypothalamic nucleus and the arcuate nucleus. Cells from the rostroventral paraventricular subdomain reach the suboptic nucleus, whereas a caudal contingent migrates radially into lateral paraventricular, perifornical and entopeduncular nuclei. Our data provide a topologic map of molecularly-defined progenitor areas originating a specific neuron type during early hypothalamic development. Identification of four main separate sources helps to understand causally its complex adult organization.

  18. LGI1, CASPR2 and related antibodies: a molecular evolution of the phenotypes.

    Science.gov (United States)

    Binks, Sophie N M; Klein, Christopher J; Waters, Patrick; Pittock, Sean J; Irani, Sarosh R

    2018-05-01

    Recent biochemical observations have helped redefine antigenic components within the voltage-gated potassium channel (VGKC) complex. The related autoantibodies may be now divided into likely pathogenic entities, which target the extracellular domains of leucine-rich glioma-inactivated 1 (LGI1) and contactin-associated protein-like 2 (CASPR2), and species that target intracellular neuronal components and are likely non-pathogenic. This distinction has enhanced clinical practice as direct determination of LGI1 and CASPR2 antibodies offers optimal sensitivity and specificity. In this review, we describe and compare the clinical features associated with pathogenic LGI1 and CASPR2 antibodies, illustrate emerging laboratory techniques for antibody determination and describe the immunological mechanisms that may mediate antibody-induced pathology. We highlight marked clinical overlaps between patients with either LGI1 or CASPR2 antibodies that include frequent focal seizures, prominent amnesia, dysautonomia, neuromyotonia and neuropathic pain. Although occurring at differing rates, these commonalities are striking and only faciobrachial dystonic seizures reliably differentiate these two conditions. Furthermore, the coexistence of both LGI1 and CASPR2 antibodies in an individual occurs surprisingly frequently. Patients with either antibody respond well to immunotherapies, although systematic studies are required to determine the magnitude of the effect beyond placebo. Finally, data have suggested that CASPR2 and LGI1 modulation via genetic or autoimmune mechanisms may share common intermediate molecules. Taken together, the biochemical distinction of antigenic targets has led to important clinical advances for patient care. However, the striking syndrome similarities, coexistence of two otherwise rare antibodies and molecular insights suggest the VGKC complex may yet be a common functional effector of antibody action. Hence, we argue for a molecular evolution alongside a

  19. LGI1, CASPR2 and related antibodies: a molecular evolution of the phenotypes

    Science.gov (United States)

    Binks, Sophie N M; Klein, Christopher J; Waters, Patrick; Pittock, Sean J; Irani, Sarosh R

    2018-01-01

    Recent biochemical observations have helped redefine antigenic components within the voltage-gated potassium channel (VGKC) complex. The related autoantibodies may be now divided into likely pathogenic entities, which target the extracellular domains of leucine-rich glioma-inactivated 1 (LGI1) and contactin-associated protein-like 2 (CASPR2), and species that target intracellular neuronal components and are likely non-pathogenic. This distinction has enhanced clinical practice as direct determination of LGI1 and CASPR2 antibodies offers optimal sensitivity and specificity. In this review, we describe and compare the clinical features associated with pathogenic LGI1 and CASPR2 antibodies, illustrate emerging laboratory techniques for antibody determination and describe the immunological mechanisms that may mediate antibody-induced pathology. We highlight marked clinical overlaps between patients with either LGI1 or CASPR2 antibodies that include frequent focal seizures, prominent amnesia, dysautonomia, neuromyotonia and neuropathic pain. Although occurring at differing rates, these commonalities are striking and only faciobrachial dystonic seizures reliably differentiate these two conditions. Furthermore, the coexistence of both LGI1 and CASPR2 antibodies in an individual occurs surprisingly frequently. Patients with either antibody respond well to immunotherapies, although systematic studies are required to determine the magnitude of the effect beyond placebo. Finally, data have suggested that CASPR2 and LGI1 modulation via genetic or autoimmune mechanisms may share common intermediate molecules. Taken together, the biochemical distinction of antigenic targets has led to important clinical advances for patient care. However, the striking syndrome similarities, coexistence of two otherwise rare antibodies and molecular insights suggest the VGKC complex may yet be a common functional effector of antibody action. Hence, we argue for a molecular evolution alongside a

  20. The Relation between Recombination Rate and Patterns of Molecular Evolution and Variation in Drosophila melanogaster

    Science.gov (United States)

    Campos, José L.; Halligan, Daniel L.; Haddrill, Penelope R.; Charlesworth, Brian

    2014-01-01

    Genetic recombination associated with sexual reproduction increases the efficiency of natural selection by reducing the strength of Hill–Robertson interference. Such interference can be caused either by selective sweeps of positively selected alleles or by background selection (BGS) against deleterious mutations. Its consequences can be studied by comparing patterns of molecular evolution and variation in genomic regions with different rates of crossing over. We carried out a comprehensive study of the benefits of recombination in Drosophila melanogaster, both by contrasting five independent genomic regions that lack crossing over with the rest of the genome and by comparing regions with different rates of crossing over, using data on DNA sequence polymorphisms from an African population that is geographically close to the putatively ancestral population for the species, and on sequence divergence from a related species. We observed reductions in sequence diversity in noncrossover (NC) regions that are inconsistent with the effects of hard selective sweeps in the absence of recombination. Overall, the observed patterns suggest that the recombination rate experienced by a gene is positively related to an increase in the efficiency of both positive and purifying selection. The results are consistent with a BGS model with interference among selected sites in NC regions, and joint effects of BGS, selective sweeps, and a past population expansion on variability in regions of the genome that experience crossing over. In such crossover regions, the X chromosome exhibits a higher rate of adaptive protein sequence evolution than the autosomes, implying a Faster-X effect. PMID:24489114

  1. Motion camouflage in three dimensions

    OpenAIRE

    Reddy, P. V.; Justh, E. W.; Krishnaprasad, P. S.

    2006-01-01

    We formulate and analyze a three-dimensional model of motion camouflage, a stealth strategy observed in nature. A high-gain feedback law for motion camouflage is formulated in which the pursuer and evader trajectories are described using natural Frenet frames (or relatively parallel adapted frames), and the corresponding natural curvatures serve as controls. The biological plausibility of the feedback law is discussed, as is its connection to missile guidance. Simulations illustrating motion ...

  2. Molecular basis of structural make-up of feeds in relation to nutrient absorption in ruminants, revealed with advanced molecular spectroscopy: A review on techniques and models

    Energy Technology Data Exchange (ETDEWEB)

    Rahman, Md. Mostafizar [Department of Animal and Poultry Science, University of Saskatchewan, Saskatoon, Saskatchewan, Canada; Yu, Peiqiang [Department of Animal and Poultry Science, University of Saskatchewan, Saskatoon, Saskatchewan, Canada

    2017-01-31

    Progress in ruminant feed research is no more feasible only based on wet chemical analysis, which is merely able to provide information on chemical composition of feeds regardless of their digestive features and nutritive value in ruminants. Studying internal structural make-up of functional groups/feed nutrients is often vital for understanding the digestive behaviors and nutritive values of feeds in ruminant because the intrinsic structure of feed nutrients is more related to its overall absorption. In this article, the detail information on the recent developments in molecular spectroscopic techniques to reveal microstructural information of feed nutrients and the use of nutrition models in regards to ruminant feed research was reviewed. The emphasis of this review was on (1) the technological progress in the use of molecular spectroscopic techniques in ruminant feed research; (2) revealing spectral analysis of functional groups of biomolecules/feed nutrients; (3) the use of advanced nutrition models for better prediction of nutrient availability in ruminant systems; and (4) the application of these molecular techniques and combination of nutrient models in cereals, co-products and pulse crop research. The information described in this article will promote better insight in the progress of research on molecular structural make-up of feed nutrients in ruminants.

  3. Six-degree-of-freedom near-source seismic motions I: rotation-to-translation relations and synthetic examples

    Czech Academy of Sciences Publication Activity Database

    Brokešová, J.; Málek, Jiří

    2015-01-01

    Roč. 19, č. 2 (2015), s. 491-509 ISSN 1383-4649 R&D Projects: GA ČR GAP210/10/0925; GA MŠk LM2010008; GA ČR GA15-02363S Institutional support: RVO:67985891 Keywords : seismic rotation * near-source region * rotation-to-translation relations * numerical simulations * S-wave velocity Subject RIV: DC - Siesmology, Volcanology, Earth Structure Impact factor: 1.550, year: 2015

  4. Algebraic Description of Motion

    Science.gov (United States)

    Davidon, William C.

    1974-01-01

    An algebraic definition of time differentiation is presented and used to relate independent measurements of position and velocity. With this, students can grasp certain essential physical, geometric, and algebraic properties of motion and differentiation before undertaking the study of limits. (Author)

  5. Rotational motion in nuclei

    International Nuclear Information System (INIS)

    Bohr, A.

    1977-01-01

    History is surveyed of the development of the theory of rotational states in nuclei. The situation in the 40's when ideas formed of the collective states of a nucleus is evoked. The general rotation theory and the relation between the single-particle and rotational motion are briefly discussed. Future prospects of the rotation theory development are indicated. (I.W.)

  6. Control of body's center of mass motion relative to center of pressure during uphill walking in the elderly.

    Science.gov (United States)

    Hong, Shih-Wun; Leu, Tsai-Hsueh; Wang, Ting-Ming; Li, Jia-Da; Ho, Wei-Pin; Lu, Tung-Wu

    2015-10-01

    Uphill walking places more challenges on the locomotor system than level walking does when the two limbs work together to ensure the stability and continuous progression of the body over the base of support. With age-related degeneration older people may have more difficulty in maintaining balance during uphill walking, and may thus experience an increased risk of falling. The current study aimed to investigate using gait analysis techniques to determine the effects of age and slope angles on the control of the COM relative to the COP in terms of their inclination angles (IA) and the rate of change of IA (RCIA) during uphill walking. The elderly were found to show IAs similar to those of the young, but with reduced self-selected walking speed and RCIAs (PIA in the sagittal plane (PIA and RCIA during walking provide a sensitive measure to differentiate individuals with different balance control abilities. The current results and findings may serve as baseline data for future clinical and ergonomic applications. Copyright © 2015 Elsevier B.V. All rights reserved.

  7. Molecular phylogeny of Glossodoris (Ehrenberg, 1831) nudibranchs and related genera reveals cryptic and pseudocryptic species complexes

    KAUST Repository

    Matsuda, Shayle B.; Gosliner, Terrence M.

    2017-01-01

    Chromodorid nudibranchs (Chromodorididae) are brightly coloured sea slugs that live in some of the most biodiverse and threatened coral reefs on the planet. However, the evolutionary relationships within this family have not been well understood, especially in the genus Glossodoris. Members of Glossodoris have experienced large-scale taxonomic instability over the last century and have been the subject of repeated taxonomic changes, in part due to morphological characters being the sole traditional taxonomic sources of data. Changing concepts of traditional generic boundaries based on morphology also have contributed to this instability. Despite recent advances in molecular systematics, many aspects of chromodorid taxonomy remain poorly understood, particularly at the traditional species and generic levels. In this study, 77 individuals comprising 32 previously defined species were used to build the most robust phylogenetic tree of Glossodoris and related genera using mitochondrial genes cytochrome c oxidase subunit I and 16S, and the nuclear gene 28S. Bayesian inference, maximum likelihood, and maximum parsimony analyses verify the most recent hypothesized evolutionary relationships within Glossodoris. Additionally, a pseudocryptic and cryptic species complex within Glossodoris cincta and a pseudocryptic complex within Glossodoris pallida emerged, and three new species of Doriprismatica are identified.

  8. Sequence-Related Amplified Polymorphism (SRAP Markers: A Potential Resource for Studies in Plant Molecular Biology

    Directory of Open Access Journals (Sweden)

    Daniel W. H. Robarts

    2014-07-01

    Full Text Available In the past few decades, many investigations in the field of plant biology have employed selectively neutral, multilocus, dominant markers such as inter-simple sequence repeat (ISSR, random-amplified polymorphic DNA (RAPD, and amplified fragment length polymorphism (AFLP to address hypotheses at lower taxonomic levels. More recently, sequence-related amplified polymorphism (SRAP markers have been developed, which are used to amplify coding regions of DNA with primers targeting open reading frames. These markers have proven to be robust and highly variable, on par with AFLP, and are attained through a significantly less technically demanding process. SRAP markers have been used primarily for agronomic and horticultural purposes, developing quantitative trait loci in advanced hybrids and assessing genetic diversity of large germplasm collections. Here, we suggest that SRAP markers should be employed for research addressing hypotheses in plant systematics, biogeography, conservation, ecology, and beyond. We provide an overview of the SRAP literature to date, review descriptive statistics of SRAP markers in a subset of 171 publications, and present relevant case studies to demonstrate the applicability of SRAP markers to the diverse field of plant biology. Results of these selected works indicate that SRAP markers have the potential to enhance the current suite of molecular tools in a diversity of fields by providing an easy-to-use. highly variable marker with inherent biological significance.

  9. Molecular evolution of candidate genes for crop-related traits in sunflower (Helianthus annuus L.).

    Science.gov (United States)

    Mandel, Jennifer R; McAssey, Edward V; Nambeesan, Savithri; Garcia-Navarro, Elena; Burke, John M

    2014-01-01

    Evolutionary analyses aimed at detecting the molecular signature of selection during crop domestication and/or improvement can be used to identify genes or genomic regions of likely agronomic importance. Here, we describe the DNA sequence-based characterization of a pool of candidate genes for crop-related traits in sunflower. These genes, which were identified based on homology to genes of known effect in other study systems, were initially sequenced from a panel of improved lines. All genes that exhibited a paucity of sequence diversity, consistent with the possible effects of selection during the evolution of cultivated sunflower, were then sequenced from a panel of wild sunflower accessions an outgroup. These data enabled formal tests for the effects of selection in shaping sequence diversity at these loci. When selection was detected, we further sequenced these genes from a panel of primitive landraces, thereby allowing us to investigate the likely timing of selection (i.e., domestication vs. improvement). We ultimately identified seven genes that exhibited the signature of positive selection during either domestication or improvement. Genetic mapping of a subset of these genes revealed co-localization between candidates for genes involved in the determination of flowering time, seed germination, plant growth/development, and branching and QTL that were previously identified for these traits in cultivated × wild sunflower mapping populations.

  10. Molecular phylogeny of Glossodoris (Ehrenberg, 1831) nudibranchs and related genera reveals cryptic and pseudocryptic species complexes

    KAUST Repository

    Matsuda, Shayle B.

    2017-03-01

    Chromodorid nudibranchs (Chromodorididae) are brightly coloured sea slugs that live in some of the most biodiverse and threatened coral reefs on the planet. However, the evolutionary relationships within this family have not been well understood, especially in the genus Glossodoris. Members of Glossodoris have experienced large-scale taxonomic instability over the last century and have been the subject of repeated taxonomic changes, in part due to morphological characters being the sole traditional taxonomic sources of data. Changing concepts of traditional generic boundaries based on morphology also have contributed to this instability. Despite recent advances in molecular systematics, many aspects of chromodorid taxonomy remain poorly understood, particularly at the traditional species and generic levels. In this study, 77 individuals comprising 32 previously defined species were used to build the most robust phylogenetic tree of Glossodoris and related genera using mitochondrial genes cytochrome c oxidase subunit I and 16S, and the nuclear gene 28S. Bayesian inference, maximum likelihood, and maximum parsimony analyses verify the most recent hypothesized evolutionary relationships within Glossodoris. Additionally, a pseudocryptic and cryptic species complex within Glossodoris cincta and a pseudocryptic complex within Glossodoris pallida emerged, and three new species of Doriprismatica are identified.

  11. Molecular biological approaches to the study of vectors in relation to malaria control

    Directory of Open Access Journals (Sweden)

    J. M. Crampton

    1992-01-01

    Full Text Available To a large extent, control of malaria vectors relies on the elimination of breeding sites and the application of chemical agents. There are increasing problems associated with the use of synthetic insecticides for vector control, including the evolution of resistance, the high cost of developing and registering new insecticides and an awareness of pollution from insecticide residues. These factors have stimulated interest in the application of molecular biology to the study of mosquito vectors of malaria; focussing primarily on two aspects. First, the improvement of existing control measures through the development of simplified DNA probe systems suitable for identification of vectors of malaria. The development of synthetic, non-radioactive DNA probes suitable for identification of species in the Anopheles gambiae complex is described with the aim of defining a simplified methodology wich is suitable for entomologist in the field. The second aspect to be considered is the development of completely novel strategies through the development of completely novel strategies through the genetic manipulation of insect vectors of malaria in order to alter their ability to transmit the disease. The major requirements for producing transgenic mosquitoes are outlined together with the progress wich has been made to date and discussed in relation to the prospects which this type of approach has for the future control of malaria.

  12. Molecular confirmation of Bacillus Calmette Guerin vaccine related adverse events among Saudi Arabian children.

    Directory of Open Access Journals (Sweden)

    Sahal Al-Hajoj

    Full Text Available Bacillus Calmette Guerin (BCG is the only available vaccine for tuberculosis (TB. Low grade complications in healthy recipients and disseminated vaccine associated complications among immuno-suppressed individuals were noticed globally after administration. Recently a series of clinically suspected BCG associated suppurative and non-suppurative lymphadenitis cases were reported from different regions of Saudi Arabia. However a molecular confirmative analysis was lacking to prove these claims.During 2009-2010, 42 Mycobacterium bovis BCG suspected clinical isolates from children diagnosed with suppurative lymphadenitis from different provinces of the country were collected and subjected to 24 loci based MIRU-VNTR typing, spoligotyping and first line anti-TB drugs susceptibility testing.Of the total 42 cases, 41 (97.6% were Saudi nationals and particularly male (64.3%. Majority of the cases were aged below 6 months (83.3% with a median of age 4 months. All the enrolled subjects showed left axillary mass which suppurated in a median of 4 months after vaccination. Among the study subjects, 1 (2.4% case was reactive to HIV antigen and 2 (4.8% case had severe combined immunodeficiency. Genotyping results showed that, 41 (97.6% isolates were identical to the vaccine strain Danish 1331 and one to Tokyo 172-1. Phylogenetic analysis revealed all the Danish 1331 isolates in a single cluster.Elevated proportion of suppurative lymphadenitis caused by M. bovis BCG reported in the country recently is majorly related to the vaccine strain Danish 1331. However lack of nationwide data on real magnitude of BCG related adverse events warrants population centric, long term future studies.

  13. Late Tertiary Motion of the Hawaiian Hot Spot Relative to the Spin Axis and Implications for True Polar Wander

    Science.gov (United States)

    Gaastra, K.; Gordon, R. G.

    2017-12-01

    Recent work on Pacific plate paleomagnetic poles, when combined with analyses of equatorial sediment facies [Suárez and Molnar, 1980; Gordon and Cape, 1981; Parés and Moore, 2005], demonstrates that the Hawaiian hotspot lay 3° to 4° north of its present latitude during formation of most of the Hawaiian chain [Woodworth et al., this meeting]. Available Pacific plate paleomagnetic and equatorial sediment facies data constrain the hotspot to this latitude from 44 Ma until 12 Ma, with the hotspot shifting to its present latitude since 12 Ma. Comparison with the apparent polar wander of the Indo-Atlantic hotspots inferred from continental paleomagnetic poles combined with plate reconstructions indicates that global hotspots have moved in unison relative to the spin axis since 12 Ma, indicating the occurrence of an episode of true polar wander, but the timing is not well constrained from available data. The direction of the indicated true polar wander is similar to that observed over the past few decades from space geodetic data [Argus and Gross, 2004], which suggests that the same episode of true polar wander may be occurring today.For these reasons we present a skewness analysis of marine magnetic anomaly 3r ( 5.5 Ma) with the goal of limiting the timing and rate of the shift of the Hawaiian hotspot (and other hotspots) relative to the spin axis. We will determine whether the shift occurred partly or entirely in the past 5.5 Ma, which has implications for the hotspot and paleomagnetic reference frames.

  14. Ground motion predictions

    Energy Technology Data Exchange (ETDEWEB)

    Loux, P C [Environmental Research Corporation, Alexandria, VA (United States)

    1969-07-01

    Nuclear generated ground motion is defined and then related to the physical parameters that cause it. Techniques employed for prediction of ground motion peak amplitude, frequency spectra and response spectra are explored, with initial emphasis on the analysis of data collected at the Nevada Test Site (NTS). NTS postshot measurements are compared with pre-shot predictions. Applicability of these techniques to new areas, for example, Plowshare sites, must be questioned. Fortunately, the Atomic Energy Commission is sponsoring complementary studies to improve prediction capabilities primarily in new locations outside the NTS region. Some of these are discussed in the light of anomalous seismic behavior, and comparisons are given showing theoretical versus experimental results. In conclusion, current ground motion prediction techniques are applied to events off the NTS. Predictions are compared with measurements for the event Faultless and for the Plowshare events, Gasbuggy, Cabriolet, and Buggy I. (author)

  15. Ground motion predictions

    International Nuclear Information System (INIS)

    Loux, P.C.

    1969-01-01

    Nuclear generated ground motion is defined and then related to the physical parameters that cause it. Techniques employed for prediction of ground motion peak amplitude, frequency spectra and response spectra are explored, with initial emphasis on the analysis of data collected at the Nevada Test Site (NTS). NTS postshot measurements are compared with pre-shot predictions. Applicability of these techniques to new areas, for example, Plowshare sites, must be questioned. Fortunately, the Atomic Energy Commission is sponsoring complementary studies to improve prediction capabilities primarily in new locations outside the NTS region. Some of these are discussed in the light of anomalous seismic behavior, and comparisons are given showing theoretical versus experimental results. In conclusion, current ground motion prediction techniques are applied to events off the NTS. Predictions are compared with measurements for the event Faultless and for the Plowshare events, Gasbuggy, Cabriolet, and Buggy I. (author)

  16. Algorithmic Issues in Modeling Motion

    DEFF Research Database (Denmark)

    Agarwal, P. K; Guibas, L. J; Edelsbrunner, H.

    2003-01-01

    This article is a survey of research areas in which motion plays a pivotal role. The aim of the article is to review current approaches to modeling motion together with related data structures and algorithms, and to summarize the challenges that lie ahead in producing a more unified theory of mot...

  17. Investigation of the Linker Swing Motion in the Zeolitic Imidazolate Framework ZIF-90

    KAUST Repository

    Zheng, Bin

    2018-03-13

    The linker swing motion in the zeolitic imidazolate framework ZIF-90 is investigated by density functional theory (DFT) calculation, molecular dynamics (MD) and grand-canonical Monte Carlo (GCMC) simulations. The relation between the terminal aldehyde group rotation and the linker swing motion is revealed. The extremely high activation energy of the linker swing motion in ZIF-90 can be attributed to the asymmetric geometry and electron distribution of aldehyde groups. The change in the gate structure resulting from the linker rotation is used to understand the guest adsorption in ZIF-90. This study shows that it is possible to tune the linker swing motion and then the properties of ZIF-90 by manipulating the terminal group rotation. The results highlight the importance of considering the internal freedom effects to correctly describe the linker swing motion and the flexibility of metal-organic frameworks (MOFs).

  18. FNDC5/irisin, a molecular target for boosting reward-related learning and motivation.

    Science.gov (United States)

    Zsuga, Judit; Tajti, Gabor; Papp, Csaba; Juhasz, Bela; Gesztelyi, Rudolf

    2016-05-01

    Interventions focusing on the prevention and treatment of chronic non-communicable diseases are on rise. In the current article, we propose that dysfunction of the mesocortico-limbic reward system contributes to the emergence of the WHO-identified risk behaviors (tobacco use, unhealthy diet, physical inactivity and harmful use of alcohol), behaviors that underlie the evolution of major non-communicable diseases (e.g. cardiovascular diseases, cancer, diabetes and chronic respiratory diseases). Given that dopaminergic neurons of the mesocortico-limbic system are tightly associated with reward-related processes and motivation, their dysfunction may fundamentally influence behavior. While nicotine and alcohol alter dopamine neuron function by influencing some receptors, mesocortico-limbic system dysfunction was associated with elevation of metabolic set-point leading to hedonic over-eating. Although there is some empirical evidence, precise molecular mechanism for linking physical inactivity and mesocortico-limbic dysfunction per se seems to be missing; identification of which may contribute to higher success rates for interventions targeting lifestyle changes pertaining to physical activity. In the current article, we compile evidence in support of a link between exercise and the mesocortico-limbic system by elucidating interactions on the axis of muscle - irisin - brain derived neurotrophic factor (BDNF) - and dopaminergic function of the midbrain. Irisin is a contraction-regulated myokine formed primarily in skeletal muscle but also in the brain. Irisin stirred considerable interest, when its ability to induce browning of white adipose tissue parallel to increasing thermogenesis was discovered. Furthermore, it may also play a role in the regulation of behavior given it readily enters the central nervous system, where it induces BDNF expression in several brain areas linked to reward processing, e.g. the ventral tegmental area and the hippocampus. BDNF is a

  19. Nuclear methods applied for studies of contact phenomena in metal-fluid media and between metallic components in relative motion

    International Nuclear Information System (INIS)

    Racolta, P.M.; Popa-Simil, L.; Voiculescu, Dana; Muntele, C. I.

    1997-01-01

    The two main goals of this research project were: establishing of an activation methodology for metallic structures using accelerated beams obtained at our cyclotron and adapting the spectrometric analysis methods of the gamma radiations for corrosion level determinations. The developed methods, including the calibration (relations between the radioactivity level and the thickness of removed layer due to corrosion), were based on the remnant radioactivity measuring method. The experiments were focused on a proper selection of the nuclear reaction to be utilised for measurements, depending on the type of metallic alloys investigated. This study also consisted of optimizing the irradiation (particle, energy and dose) and cooling time so as to obtain a measuring sensitivity of 0.1-1μm for Fe, Ti, V, Cr, Cu, Mo based alloys. A portable two-channel γ-spectrometric installation was adapted to a customer's corrosion testing stand. Corrosion levels of a Romanian-made injection pump working with different types of Diesel oils and Diesel oil + special additives + water mixtures were determined. The nuclear reactions used were 56 Fe (p,n) 56 Co and 56 Fe (d,n) 57 Co. A selected area of the pump's piston was activated up to 30 μm. The testing programme was made for 300 h working times on the test stand; corrosion levels of approx. 0.3 μm were observed. In cooperation with a group from Tribology Laboratory from the Bucharest Technical University, Ti-coated pallets of a water pump were tested in their near real working environment - salty and sandy water. The 48 Ti (p,n) 48 V nuclear reaction was used for labelling a Ti thickness up to 50 μm. In this experiment, the main interest was to determine the minimum detectable corroded thickness by this radiotracer - based method. Our measurements showed that sensitivities of 0.05 - 1 μm can be achieved. In 1996, in cooperation with the National Institute for Thermal Engines, the wear of the piston ring - cylinder jacket friction

  20. Relation between the characteristic molecular volume and hydrophobicity of nonpolar molecules

    Energy Technology Data Exchange (ETDEWEB)

    Sedov, Igor A., E-mail: igor_sedov@inbox.ru; Solomonov, Boris N., E-mail: boris.solomonov@ksu.r

    2010-09-15

    Experimental values of the Gibbs free energies of hydration for a set of nonpolar or very slightly polar compounds are analyzed in order to investigate how does the hydrophobic effect depend on molecular structure and shape. The contribution due to the hydrophobic effect is evaluated using a method we suggested previously. A number of values of the Gibbs free energies of solvation in dimethyl sulfoxide and in hexadecane, which are required for calculation, were determined by gas chromatographic headspace analysis. It is found that the Gibbs hydrophobic effect energy is linearly dependent on characteristic molecular volume for a large variety of solutes with branched and unbranched carbon chains, different functional groups and atomic composition. Molecular structure and shape do not significantly affect the hydrophobicity of chemical species, and molecular volume is a main factor determining it.

  1. The application of 3D Zernike moments for the description of "model-free" molecular structure, functional motion, and structural reliability.

    Science.gov (United States)

    Grandison, Scott; Roberts, Carl; Morris, Richard J

    2009-03-01

    Protein structures are not static entities consisting of equally well-determined atomic coordinates. Proteins undergo continuous motion, and as catalytic machines, these movements can be of high relevance for understanding function. In addition to this strong biological motivation for considering shape changes is the necessity to correctly capture different levels of detail and error in protein structures. Some parts of a structural model are often poorly defined, and the atomic displacement parameters provide an excellent means to characterize the confidence in an atom's spatial coordinates. A mathematical framework for studying these shape changes, and handling positional variance is therefore of high importance. We present an approach for capturing various protein structure properties in a concise mathematical framework that allows us to compare features in a highly efficient manner. We demonstrate how three-dimensional Zernike moments can be employed to describe functions, not only on the surface of a protein but throughout the entire molecule. A number of proof-of-principle examples are given which demonstrate how this approach may be used in practice for the representation of movement and uncertainty.

  2. Investigating the relative influences of molecular dimensions and binding energies on diffusivities of guest species inside nanoporous crystalline materials

    NARCIS (Netherlands)

    Krishna, R.; van Baten, J.M.

    2012-01-01

    The primary objective of this article is to investigate the relative influences of molecular dimensions and adsorption binding energies on unary diffusivities of guest species inside nanoporous crystalline materials such as zeolites and metal-organic frameworks (MOFs). The investigations are based

  3. Meta-Analysis of Placental Transcriptome Data Identifies a Novel Molecular Pathway Related to Preeclampsia.

    Science.gov (United States)

    van Uitert, Miranda; Moerland, Perry D; Enquobahrie, Daniel A; Laivuori, Hannele; van der Post, Joris A M; Ris-Stalpers, Carrie; Afink, Gijs B

    2015-01-01

    Studies using the placental transcriptome to identify key molecules relevant for preeclampsia are hampered by a relatively small sample size. In addition, they use a variety of bioinformatics and statistical methods, making comparison of findings challenging. To generate a more robust preeclampsia gene expression signature, we performed a meta-analysis on the original data of 11 placenta RNA microarray experiments, representing 139 normotensive and 116 preeclamptic pregnancies. Microarray data were pre-processed and analyzed using standardized bioinformatics and statistical procedures and the effect sizes were combined using an inverse-variance random-effects model. Interactions between genes in the resulting gene expression signature were identified by pathway analysis (Ingenuity Pathway Analysis, Gene Set Enrichment Analysis, Graphite) and protein-protein associations (STRING). This approach has resulted in a comprehensive list of differentially expressed genes that led to a 388-gene meta-signature of preeclamptic placenta. Pathway analysis highlights the involvement of the previously identified hypoxia/HIF1A pathway in the establishment of the preeclamptic gene expression profile, while analysis of protein interaction networks indicates CREBBP/EP300 as a novel element central to the preeclamptic placental transcriptome. In addition, there is an apparent high incidence of preeclampsia in women carrying a child with a mutation in CREBBP/EP300 (Rubinstein-Taybi Syndrome). The 388-gene preeclampsia meta-signature offers a vital starting point for further studies into the relevance of these genes (in particular CREBBP/EP300) and their concomitant pathways as biomarkers or functional molecules in preeclampsia. This will result in a better understanding of the molecular basis of this disease and opens up the opportunity to develop rational therapies targeting the placental dysfunction causal to preeclampsia.

  4. Invariance of molecular charge transport upon changes of extended molecule size and several related issues

    Directory of Open Access Journals (Sweden)

    Ioan Bâldea

    2016-03-01

    Full Text Available As a sanity test for the theoretical method employed, studies on (steady-state charge transport through molecular devices usually confine themselves to check whether the method in question satisfies the charge conservation. Another important test of the theory’s correctness is to check that the computed current does not depend on the choice of the central region (also referred to as the “extended molecule”. This work addresses this issue and demonstrates that the relevant transport and transport-related properties are indeed invariant upon changing the size of the extended molecule, when the embedded molecule can be described within a general single-particle picture (namely, a second-quantized Hamiltonian bilinear in the creation and annihilation operators. It is also demonstrates that the invariance of nonequilibrium properties is exhibited by the exact results but not by those computed approximately within ubiquitous wide- and flat-band limits (WBL and FBL, respectively. To exemplify the limitations of the latter, the phenomenon of negative differential resistance (NDR is considered. It is shown that the exactly computed current may exhibit a substantial NDR, while the NDR effect is absent or drastically suppressed within the WBL and FBL approximations. The analysis done in conjunction with the WBLs and FBLs reveals why general studies on nonequilibrium properties require a more elaborate theoretical than studies on linear response properties (e.g., ohmic conductance and thermopower at zero temperature. Furthermore, examples are presented that demonstrate that treating parts of electrodes adjacent to the embedded molecule and the remaining semi-infinite electrodes at different levels of theory (which is exactly what most NEGF-DFT approaches do is a procedure that yields spurious structures in nonlinear ranges of current–voltage curves.

  5. Meta-Analysis of Placental Transcriptome Data Identifies a Novel Molecular Pathway Related to Preeclampsia.

    Directory of Open Access Journals (Sweden)

    Miranda van Uitert

    Full Text Available Studies using the placental transcriptome to identify key molecules relevant for preeclampsia are hampered by a relatively small sample size. In addition, they use a variety of bioinformatics and statistical methods, making comparison of findings challenging. To generate a more robust preeclampsia gene expression signature, we performed a meta-analysis on the original data of 11 placenta RNA microarray experiments, representing 139 normotensive and 116 preeclamptic pregnancies. Microarray data were pre-processed and analyzed using standardized bioinformatics and statistical procedures and the effect sizes were combined using an inverse-variance random-effects model. Interactions between genes in the resulting gene expression signature were identified by pathway analysis (Ingenuity Pathway Analysis, Gene Set Enrichment Analysis, Graphite and protein-protein associations (STRING. This approach has resulted in a comprehensive list of differentially expressed genes that led to a 388-gene meta-signature of preeclamptic placenta. Pathway analysis highlights the involvement of the previously identified hypoxia/HIF1A pathway in the establishment of the preeclamptic gene expression profile, while analysis of protein interaction networks indicates CREBBP/EP300 as a novel element central to the preeclamptic placental transcriptome. In addition, there is an apparent high incidence of preeclampsia in women carrying a child with a mutation in CREBBP/EP300 (Rubinstein-Taybi Syndrome. The 388-gene preeclampsia meta-signature offers a vital starting point for further studies into the relevance of these genes (in particular CREBBP/EP300 and their concomitant pathways as biomarkers or functional molecules in preeclampsia. This will result in a better understanding of the molecular basis of this disease and opens up the opportunity to develop rational therapies targeting the placental dysfunction causal to preeclampsia.

  6. On the Brownian motion of a massive sphere suspended in a hard-sphere fluid. II. Molecular dynamics estimates of the friction coefficient

    International Nuclear Information System (INIS)

    Bocquet, L.; Hansen, J.P.; Piasecki, J.

    1994-01-01

    The friction coefficient γ exerted by a hard-sphere fluid on an infinitely massive Brownian sphere is calculated for several size ratios Σ/σ where Σ and σ are the diameters of the Brownian and fluid spheres, respectively. The exact microscopic expression derived in part I of this work from kinetic theory is transformed and shown to be proportional to the time integral of the autocorrelation function of the momentum transferred from the fluid to the Brownian sphere during instantaneous collisions. Three different methods are described to extract the friction coefficient from molecular dynamics simulations carried out on finite systems. The three independent methods lead to estimates of γ which agree within statistical errors (typically 5%). The results are compared to the predictions of Enskog theory and of the hydrodynamic Stokes law. The former breaks down as the size ratio and/or the packing fraction of the fluid increase. Somewhat surprisingly, Stokes' law is found to hold with stick boundary conditions, in the range 1 ≤ Σ/σ ≤ 4.5 explored in the present simulations, with a hydrodynamic diameter d=Σ. The analysis of the molecular dynamics data on the basis of Stokes' law with slip boundary conditions is less conclusive, although the right trend is found as Σ/σ increases

  7. Superluminal motion (review)

    Science.gov (United States)

    Malykin, G. B.; Romanets, E. A.

    2012-06-01

    Prior to the development of Special Relativity, no restrictions were imposed on the velocity of the motion of particles and material bodies, as well as on energy transfer and signal propagation. At the end of the 19th century and the beginning of the 20th century, it was shown that a charge that moves at a velocity faster than the speed of light in an optical medium, in particular, in vacuum, gives rise to impact radiation, which later was termed the Vavilov-Cherenkov radiation. Shortly after the development of Special Relativity, some researchers considered the possibility of superluminal motion. In 1923, the Soviet physicist L.Ya. Strum suggested the existence of tachyons, which, however, have not been discovered yet. Superluminal motions can occur only for images, e.g., for so-called "light spots," which were considered in 1972 by V.L. Ginzburg and B.M. Bolotovskii. These spots can move with a superluminal phase velocity but are incapable of transferring energy and information. Nevertheless, these light spots may induce quite real generation of microwave radiation in closed waveguides and create the Vavilov-Cherenkov radiation in vacuum. In this work, we consider various paradoxes, illusions, and artifacts associated with superluminal motion.

  8. Observing electron motion in molecules

    International Nuclear Information System (INIS)

    Chelkowski, S; Yudin, G L; Bandrauk, A D

    2006-01-01

    We study analytically the possibility for monitoring electron motion in a molecule using two ultrashort laser pulses. The first prepares a coherent superposition of two electronic molecular states whereas the second (attosecond pulse) photoionizes the molecule. We show that interesting information about electron dynamics can be obtained from measurement of the photoelectron spectra as a function of the time delay between two pulses. In particular, asymmetries in photoelectron angular distribution provide a simple signature of the electron motion within the initial time-dependent coherently coupled two molecular states. Both asymmetries and electron spectra show very strong two-centre interference patterns. We illustrate these effects using as an example a dissociating hydrogen molecular ion probed by the attosecond pulses

  9. Best practice guidelines for the molecular genetic diagnosis of Type 1 (HFE-related hereditary haemochromatosis

    Directory of Open Access Journals (Sweden)

    Barton David E

    2006-11-01

    Full Text Available Abstract Background Hereditary haemochromatosis (HH is a recessively-inherited disorder of iron over-absorption prevalent in Caucasian populations. Affected individuals for Type 1 HH are usually either homozygous for a cysteine to tyrosine amino acid substitution at position 282 (C282Y of the HFE gene, or compound heterozygotes for C282Y and for a histidine to aspartic acid change at position 63 (H63D. Molecular genetic testing for these two mutations has become widespread in recent years. With diverse testing methods and reporting practices in use, there was a clear need for agreed guidelines for haemochromatosis genetic testing. The UK Clinical Molecular Genetics Society has elaborated a consensus process for the development of disease-specific best practice guidelines for genetic testing. Methods A survey of current practice in the molecular diagnosis of haemochromatosis was conducted. Based on the results of this survey, draft guidelines were prepared using the template developed by UK Clinical Molecular Genetics Society. A workshop was held to develop the draft into a consensus document. The consensus document was then posted on the Clinical Molecular Genetics Society website for broader consultation and amendment. Results Consensus or near-consensus was achieved on all points in the draft guidelines. The consensus and consultation processes worked well, and outstanding issues were documented in an appendix to the guidelines. Conclusion An agreed set of best practice guidelines were developed for diagnostic, predictive and carrier testing for hereditary haemochromatosis and for reporting the results of such testing.

  10. Murine transgenic embryonic stem cell lines for the investigation of sinoatrial node-related molecular pathways

    Directory of Open Access Journals (Sweden)

    Stefanie Schmitteckert

    2017-12-01

    Full Text Available The elucidation of molecular mechanisms that restrict the potential of pluripotent stem cells and promote cardiac lineage differentiation is of crucial relevance, since embryonic stem cells (ESCs hold great potential for cell based heart therapies. The homeodomain transcription factor Shox2 is essential for the development and proper function of the native cardiac pacemaker, the sinoatrial node. This prompted us to develop a cardiac differentiation model using ESC lines isolated from blastocysts of Shox2-deficient mice. The established cell model provides a fundamental basis for the investigation of molecular pathways under physiological and pathophysiological conditions for evaluating novel therapeutic approaches.

  11. Auditory Motion Elicits a Visual Motion Aftereffect

    Directory of Open Access Journals (Sweden)

    Christopher C. Berger

    2016-12-01

    Full Text Available The visual motion aftereffect is a visual illusion in which exposure to continuous motion in one direction leads to a subsequent illusion of visual motion in the opposite direction. Previous findings have been mixed with regard to whether this visual illusion can be induced cross-modally by auditory stimuli. Based on research on multisensory perception demonstrating the profound influence auditory perception can have on the interpretation and perceived motion of visual stimuli, we hypothesized that exposure to auditory stimuli with strong directional motion cues should induce a visual motion aftereffect. Here, we demonstrate that horizontally moving auditory stimuli induced a significant visual motion aftereffect—an effect that was driven primarily by a change in visual motion perception following exposure to leftward moving auditory stimuli. This finding is consistent with the notion that visual and auditory motion perception rely on at least partially overlapping neural substrates.

  12. Auditory Motion Elicits a Visual Motion Aftereffect.

    Science.gov (United States)

    Berger, Christopher C; Ehrsson, H Henrik

    2016-01-01

    The visual motion aftereffect is a visual illusion in which exposure to continuous motion in one direction leads to a subsequent illusion of visual motion in the opposite direction. Previous findings have been mixed with regard to whether this visual illusion can be induced cross-modally by auditory stimuli. Based on research on multisensory perception demonstrating the profound influence auditory perception can have on the interpretation and perceived motion of visual stimuli, we hypothesized that exposure to auditory stimuli with strong directional motion cues should induce a visual motion aftereffect. Here, we demonstrate that horizontally moving auditory stimuli induced a significant visual motion aftereffect-an effect that was driven primarily by a change in visual motion perception following exposure to leftward moving auditory stimuli. This finding is consistent with the notion that visual and auditory motion perception rely on at least partially overlapping neural substrates.

  13. Auditory motion capturing ambiguous visual motion

    Directory of Open Access Journals (Sweden)

    Arjen eAlink

    2012-01-01

    Full Text Available In this study, it is demonstrated that moving sounds have an effect on the direction in which one sees visual stimuli move. During the main experiment sounds were presented consecutively at four speaker locations inducing left- or rightwards auditory apparent motion. On the path of auditory apparent motion, visual apparent motion stimuli were presented with a high degree of directional ambiguity. The main outcome of this experiment is that our participants perceived visual apparent motion stimuli that were ambiguous (equally likely to be perceived as moving left- or rightwards more often as moving in the same direction than in the opposite direction of auditory apparent motion. During the control experiment we replicated this finding and found no effect of sound motion direction on eye movements. This indicates that auditory motion can capture our visual motion percept when visual motion direction is insufficiently determinate without affecting eye movements.

  14. Chronic Neck Pain and Cervico-Craniofacial Pain Patients Express Similar Levels of Neck Pain-Related Disability, Pain Catastrophizing, and Cervical Range of Motion

    Science.gov (United States)

    Muñoz-García, Daniel; Gil-Martínez, Alfonso; López-López, Almudena; Lopez-de-Uralde-Villanueva, Ibai; La Touche, Roy; Fernández-Carnero, Josué

    2016-01-01

    Background. Neck pain (NP) is strongly associated with cervico-craniofacial pain (CCFP). The primary aim of the present study was to compare the neck pain-related disability, pain catastrophizing, and cervical and mandibular ROM between patients with chronic mechanical NP and patients with CCFP, as well as asymptomatic subjects. Methods. A total of 64 participants formed three groups. All participants underwent a clinical examination evaluating the cervical range of motion and maximum mouth opening, neck disability index (NDI), and psychological factor of Pain Catastrophizing Scale (PCS). Results. There were no statistically significant differences between patients with NP and CCFP for NDI and PCS (P > 0.05). One- way ANOVA revealed significant differences for all ROM measurements. The post hoc analysis showed no statistically significant differences in cervical extension and rotation between the two patient groups (P > 0.05). The Pearson correlation analysis shows a moderate positive association between NDI and the PCS for the group of patients with NP and CCFP. Conclusion. The CCFP and NP patient groups have similar neck disability levels and limitation in cervical ROM in extension and rotation. Both groups had positively correlated the NDI with the PCS. PMID:27119020

  15. Molecular Chaperones of Leishmania: Central Players in Many Stress-Related and -Unrelated Physiological Processes

    Directory of Open Access Journals (Sweden)

    Jose M. Requena

    2015-01-01

    Full Text Available Molecular chaperones are key components in the maintenance of cellular homeostasis and survival, not only during stress but also under optimal growth conditions. Folding of nascent polypeptides is supported by molecular chaperones, which avoid the formation of aggregates by preventing nonspecific interactions and aid, when necessary, the translocation of proteins to their correct intracellular localization. Furthermore, when proteins are damaged, molecular chaperones may also facilitate their refolding or, in the case of irreparable proteins, their removal by the protein degradation machinery of the cell. During their digenetic lifestyle, Leishmania parasites encounter and adapt to harsh environmental conditions, such as nutrient deficiency, hypoxia, oxidative stress, changing pH, and shifts in temperature; all these factors are potential triggers of cellular stress. We summarize here our current knowledge on the main types of molecular chaperones in Leishmania and their functions. Among them, heat shock proteins play important roles in adaptation and survival of this parasite against temperature changes associated with its passage from the poikilothermic insect vector to the warm-blooded vertebrate host. The study of structural features and the function of chaperones in Leishmania biology is providing opportunities (and challenges for drug discovery and improving of current treatments against leishmaniasis.

  16. Management of insect pests: Nuclear and related molecular and genetic techniques

    International Nuclear Information System (INIS)

    1993-01-01

    The conference was organized in eight sessions: opening, genetic engineering and molecular biology, genetics, operational programmes, F 1 sterility and insect behaviour, biocontrol, research and development on the tsetse fly, and quarantine. The 64 individual contributions have been indexed separately for INIS. Refs, figs and tabs

  17. Molecular Chaperones of Leishmania: Central Players in Many Stress-Related and -Unrelated Physiological Processes

    Science.gov (United States)

    Requena, Jose M.; Montalvo, Ana M.; Fraga, Jorge

    2015-01-01

    Molecular chaperones are key components in the maintenance of cellular homeostasis and survival, not only during stress but also under optimal growth conditions. Folding of nascent polypeptides is supported by molecular chaperones, which avoid the formation of aggregates by preventing nonspecific interactions and aid, when necessary, the translocation of proteins to their correct intracellular localization. Furthermore, when proteins are damaged, molecular chaperones may also facilitate their refolding or, in the case of irreparable proteins, their removal by the protein degradation machinery of the cell. During their digenetic lifestyle, Leishmania parasites encounter and adapt to harsh environmental conditions, such as nutrient deficiency, hypoxia, oxidative stress, changing pH, and shifts in temperature; all these factors are potential triggers of cellular stress. We summarize here our current knowledge on the main types of molecular chaperones in Leishmania and their functions. Among them, heat shock proteins play important roles in adaptation and survival of this parasite against temperature changes associated with its passage from the poikilothermic insect vector to the warm-blooded vertebrate host. The study of structural features and the function of chaperones in Leishmania biology is providing opportunities (and challenges) for drug discovery and improving of current treatments against leishmaniasis. PMID:26167482

  18. Motion control report

    CERN Document Server

    2013-01-01

    Please note this is a short discount publication. In today's manufacturing environment, Motion Control plays a major role in virtually every project.The Motion Control Report provides a comprehensive overview of the technology of Motion Control:* Design Considerations* Technologies* Methods to Control Motion* Examples of Motion Control in Systems* A Detailed Vendors List

  19. Managing cancer-related venous thromboembolic disease: low-molecular-weight heparins and beyond.

    Science.gov (United States)

    O'Connell, Casey L; Liebman, Howard A

    2008-12-01

    Venous thromboembolism is a major contributor to the morbidity and mortality of patients with cancer. For patients undergoing cancer surgery, several trials support the safety and efficacy of unfractionated heparin and of low-molecular-weight heparin for the prevention of venous thromboembolism, while data regarding the efficacy and safety of these agents in the setting of medical hospitalization is less definitive and must be extracted from trials including noncancer patients with different thrombotic risk factors. Randomized clinical studies confirm that patients with cancer who develop venous thromboembolism have superior outcomes when treated with long-term low-molecular-weight heparin as compared with warfarin. Novel anticoagulants that are orally bioavailable and function by directly inhibiting factor Xa or thrombin are entering the market. To date, data regarding the efficacy and safety of these novel anticoagulants as venous thromboembolism prophylaxis and treatment in cancer patients are not available and must be extracted from larger trials with heterogeneous patient populations.

  20. PPAR? population shift produces disease-related changes in molecular networks associated with metabolic syndrome

    OpenAIRE

    Jurkowski, W; Roomp, K; Crespo, I; Schneider, J G; del Sol, A

    2011-01-01

    Peroxisome proliferator-activated receptor gamma (PPARγ) is a key regulator of adipocyte differentiation and has an important role in metabolic syndrome. Phosphorylation of the receptor's ligand-binding domain at serine 273 has been shown to change the expression of a large number of genes implicated in obesity. The difference in gene expression seen when comparing wild-type phosphorylated with mutant non-phosphorylated PPARγ may have important consequences for the cellular molecular network,...

  1. Molecular phylogeny of pearl oysters and their relatives (Mollusca, Bivalvia, Pterioidea

    Directory of Open Access Journals (Sweden)

    Tëmkin Ilya

    2010-11-01

    Full Text Available Abstract Background The superfamily Pterioidea is a morphologically and ecologically diverse lineage of epifaunal marine bivalves distributed throughout the tropical and subtropical continental shelf regions. This group includes commercially important pearl culture species and model organisms used for medical studies of biomineralization. Recent morphological treatment of selected pterioideans and molecular phylogenetic analyses of higher-level relationships in Bivalvia have challenged the traditional view that pterioidean families are monophyletic. This issue is examined here in light of molecular data sets composed of DNA sequences for nuclear and mitochondrial loci, and a published character data set of anatomical and shell morphological characters. Results The present study is the first comprehensive species-level analysis of the Pterioidea to produce a well-resolved, robust phylogenetic hypothesis for nearly all extant taxa. The data were analyzed for potential biases due to taxon and character sampling, and idiosyncracies of different molecular evolutionary processes. The congruence and contribution of different partitions were quantified, and the sensitivity of clade stability to alignment parameters was explored. Conclusions Four primary conclusions were reached: (1 the results strongly supported the monophyly of the Pterioidea; (2 none of the previously defined families (except for the monotypic Pulvinitidae were monophyletic; (3 the arrangement of the genera was novel and unanticipated, however strongly supported and robust to changes in alignment parameters; and (4 optimizing key morphological characters onto topologies derived from the analysis of molecular data revealed many instances of homoplasy and uncovered synapomorphies for major nodes. Additionally, a complete species-level sampling of the genus Pinctada provided further insights into the on-going controversy regarding the taxonomic identity of major pearl culture species.

  2. Molecular phylogeny of pearl oysters and their relatives (Mollusca, Bivalvia, Pterioidea)

    Science.gov (United States)

    2010-01-01

    Background The superfamily Pterioidea is a morphologically and ecologically diverse lineage of epifaunal marine bivalves distributed throughout the tropical and subtropical continental shelf regions. This group includes commercially important pearl culture species and model organisms used for medical studies of biomineralization. Recent morphological treatment of selected pterioideans and molecular phylogenetic analyses of higher-level relationships in Bivalvia have challenged the traditional view that pterioidean families are monophyletic. This issue is examined here in light of molecular data sets composed of DNA sequences for nuclear and mitochondrial loci, and a published character data set of anatomical and shell morphological characters. Results The present study is the first comprehensive species-level analysis of the Pterioidea to produce a well-resolved, robust phylogenetic hypothesis for nearly all extant taxa. The data were analyzed for potential biases due to taxon and character sampling, and idiosyncracies of different molecular evolutionary processes. The congruence and contribution of different partitions were quantified, and the sensitivity of clade stability to alignment parameters was explored. Conclusions Four primary conclusions were reached: (1) the results strongly supported the monophyly of the Pterioidea; (2) none of the previously defined families (except for the monotypic Pulvinitidae) were monophyletic; (3) the arrangement of the genera was novel and unanticipated, however strongly supported and robust to changes in alignment parameters; and (4) optimizing key morphological characters onto topologies derived from the analysis of molecular data revealed many instances of homoplasy and uncovered synapomorphies for major nodes. Additionally, a complete species-level sampling of the genus Pinctada provided further insights into the on-going controversy regarding the taxonomic identity of major pearl culture species. PMID:21059254

  3. THE FAR-INFRARED, UV, AND MOLECULAR GAS RELATION IN GALAXIES UP TO z = 2.5

    International Nuclear Information System (INIS)

    Nordon, R.; Lutz, D.; Saintonge, A.; Berta, S.; Wuyts, S.; Förster Schreiber, N. M.; Genzel, R.; Magnelli, B.; Poglitsch, A.; Popesso, P.; Rosario, D.; Sturm, E.; Tacconi, L. J.

    2013-01-01

    We use the infrared excess (IRX) FIR/UV luminosity ratio to study the relation between the effective UV attenuation (A IRX ) and the UV spectral slope (β) in a sample of 450 1 * ) > 9.3. Thus, we are able to study galaxies on and even below the main SFR-stellar mass relation (main sequence). We find that main-sequence galaxies form a tight sequence in the IRX-β plane, which has a flatter slope than commonly used relations. This slope favors a Small-Magellanic-Cloud-like UV extinction curve, though the interpretation is model dependent. The scatter in the A IRX -β plane correlates with the position of the galaxies in the SFR-M * plane. Using a smaller sample of galaxies with CO gas masses, we study the relation between the UV attenuation and the molecular gas content. We find a very tight relation between the scatter in the IRX-β plane and the specific attenuation S A , a quantity that represents the attenuation contributed by the molecular gas mass per young star. S A is sensitive to both the geometrical arrangement of stars and dust and to the compactness of the star-forming regions. We use this empirical relation to derive a method for estimating molecular gas masses using only widely available integrated rest-frame UV and FIR photometry. The method produces gas masses with an accuracy between 0.12 and 0.16 dex in samples of normal galaxies between z ∼ 0 and z ∼ 1.5. Major mergers and submillimeter galaxies follow a different S A relation.

  4. The analytic gradient with a reduced molecular orbital space for the equation-of-motion coupled-cluster theory: systematic study of the magnitudes and trends in simple molecules

    International Nuclear Information System (INIS)

    Baeck, Kyoung K.; Jeon, Sang Il

    2000-01-01

    The analytic gradient method for the equation-of-motion coupled-cluster singles and doubles (EOM-CCSD) energy has been extended to employ a reduced molecular orbital (MO) space. Not only the innermost core MO s but also some of the outermost virtual MO s can be dropped in the reduced MO space, and a substantial amount of computation time can be reduced without deteriorating the results. In order to study the magnitudes and trends of the effects of the dropped MO s , the geometries and vibrational properties of the ground and excited states of BF, CO, CN, N 2 , AlCl, SiS, P 2 , BCl, AlF, CS, SiO, PN and GeSe are calculated with different sizes of molecular orbital space. The 6-31G and the aug-cc-pVTZ basis sets are employed for all molecules except GeSe for which the 6-311 G and the TZV+f basis sets are used. It is shown that the magnitudes of the drop MO effects are about 0.005 A in bond lengths and about 1% on harmonic frequencies and IR intensities provided that the dropped MO s correspond to (1s), (1s,2s,2p), and (1s,2s,2p,3s,3p) atomic orbitals of the first, the second, and the third row atoms, respectively. The geometries and vibrational properties of the first and the second excited states of HCN and HCN are calculated by using a drastically reduced virtual MO space as well as with the well defined frozen core MO space. The results suggest the possibility of using a very small MO space for qualitative study of valence excited states

  5. Opportunities and limitations related to the application of plant-derived lipid molecular proxies in soil science

    Directory of Open Access Journals (Sweden)

    B. Jansen

    2017-11-01

    Full Text Available The application of lipids in soils as molecular proxies, also often referred to as biomarkers, has dramatically increased in the last decades. Applications range from inferring changes in past vegetation composition, climate, and/or human presence to unraveling the input and turnover of soil organic matter (SOM. The molecules used are extractable and non-extractable lipids, including ester-bound lipids. In addition, the carbon or hydrogen isotopic composition of such molecules is used. While holding great promise, the application of soil lipids as molecular proxies comes with several constraining factors, the most important of which are (i variability in the molecular composition of plant-derived organic matter both internally and between individual plants, (ii variability in (the relative contribution of input pathways into the soil, and (iii the transformation and/or (selective degradation of (some of the molecules once present in the soil. Unfortunately, the information about such constraining factors and their impact on the applicability of molecular proxies is fragmented and scattered. The purpose of this study is to provide a critical review of the current state of knowledge with respect to the applicability of molecular proxies in soil science, specifically focusing on the factors constraining such applicability. Variability in genetic, ontogenetic, and environmental factors influences plant n-alkane patterns in such a way that no unique compounds or specific molecular proxies pointing to, for example, plant community differences or environmental influences, exist. Other components, such as n-alcohols, n-fatty acids, and cutin- and suberin-derived monomers, have received far less attention in this respect. Furthermore, there is a high diversity of input pathways offering both opportunities and limitations for the use of molecular proxies at the same time. New modeling approaches might offer a possibility to unravel such mixed input

  6. Analytical Analysis of Motion Separability

    Directory of Open Access Journals (Sweden)

    Marjan Hadian Jazi

    2013-01-01

    Full Text Available Motion segmentation is an important task in computer vision and several practical approaches have already been developed. A common approach to motion segmentation is to use the optical flow and formulate the segmentation problem using a linear approximation of the brightness constancy constraints. Although there are numerous solutions to solve this problem and their accuracies and reliabilities have been studied, the exact definition of the segmentation problem, its theoretical feasibility and the conditions for successful motion segmentation are yet to be derived. This paper presents a simplified theoretical framework for the prediction of feasibility, of segmentation of a two-dimensional linear equation system. A statistical definition of a separable motion (structure is presented and a relatively straightforward criterion for predicting the separability of two different motions in this framework is derived. The applicability of the proposed criterion for prediction of the existence of multiple motions in practice is examined using both synthetic and real image sequences. The prescribed separability criterion is useful in designing computer vision applications as it is solely based on the amount of relative motion and the scale of measurement noise.

  7. Feeling Motion

    DEFF Research Database (Denmark)

    Thelle, Mikkel

    2015-01-01

    The article relates the study of mobility history to the fields of history of emotion and affect theory in the promotion of a cross-disciplinary research agenda. Taking as its point of departure a workshop in Copenhagen on feeling and space, the text draws lines and points of potential interface...... between historical mobility studies and the two related fields....

  8. The Effect of Yoga on Arm Volume, Strength, and Range of Motion in Women at Risk for Breast Cancer-Related Lymphedema.

    Science.gov (United States)

    Mazor, Melissa; Lee, Jeannette Q; Peled, Anne; Zerzan, Sarah; Irwin, Chetan; Chesney, Margaret A; Serrurier, Katherine; Sbitany, Hani; Dhruva, Anand; Sacks, Devorah; Smoot, Betty

    2018-02-01

    To assess the feasibility, safety, and initial estimates of efficacy of a yoga program in postoperative care for women at high risk for breast cancer-related lymphedema (BCRL). Single-group pretest-post-test design. Patients were recruited from the University of California, San Francisco Carol Franc Buck Breast Care Center. Twenty-one women were enrolled in the study. Women were >18 years of age, had undergone surgical treatment for breast cancer, and were at high risk for BCRL. The women participated in an Ashtanga yoga intervention for 8 weeks. Sessions consisted of once/week instructor-led practice and once/week home practice. Particular attention was given to poses that emphasized upper body strength and flexibility, while avoiding significant time with the upper extremity (UE) in a dependent position. UE volume was assessed through circumferential forearm measurement, which was converted to volume using the formula for a truncated cone. Range of motion (ROM) was assessed for the shoulders, elbows, and wrists, using a standard goniometer. UE strength was assessed for shoulder abduction, elbow flexion, wrist flexion, and grip using a dynamometer. Twenty women completed the yoga intervention, with 17 returning for final assessment. Mean age was 52 (±9.1) years and body mass index was 24.8 (±5.1) kg/m 2 . Postintervention, mean volume in the at-risk UE was slightly reduced (p = 0.397). ROM for shoulder flexion (p yoga is feasible and safe for women who are at risk for BCRL and may result in small improvements in shoulder ROM and UE strength.

  9. Investigation of Molecular Structure and Thermal Properties of Thermo-Oxidative Aged SBS in Blends and Their Relations.

    Science.gov (United States)

    Xu, Xiong; Yu, Jianying; Xue, Lihui; Zhang, Canlin; Zha, Yagang; Gu, Yi

    2017-07-07

    Tri-block copolymer styrene-butadiene (SBS) is extensively applied in bituminous highway construction due to its high elasticity and excellent weather resistance. With the extension of time, tri-block structural SBS automatically degrades into bi-block structural SB- with some terminal oxygen-containing groups under the comprehensive effects of light, heat, oxygen, etc. In this paper, the effects of aging temperature, aging time and oxygen concentration on the molecular structure of thermo-oxidative aged SBS were mainly investigated using Fourier transform infrared spectroscopy (FTIR) and X-ray photoelectron spectroscopy (XPS), and the correlation between oxygen-containing groups and thermal properties (TG-DTG) was further discussed. The FTIR and XPS results show that rapid decomposition of SBS will occur with increments of aging temperature, aging time and oxygen concentration, and a large number of oxygen-containing groups such as -OH, C=O, -COOH, etc. will be formed during thermo-oxidative aging. In short-term aging, changes in aging temperature and oxygen concentration have a significant impact on the structural damage of SBS. However, in long-term aging, it has no further effect on the molecular structure of SBS or on increasing oxygen concentration. The TG and DTG results indicate that the concentration of substances with low molecular weight gradually increases with the improvement of the degree of aging of the SBS, while the initial decomposition rate increases at the beginning of thermal weightlessness and the decomposition rate slows down in comparison with neat SBS. From the relation between the XPS and TG results, it can be seen that the initial thermal stability of SBS rapidly reduces as the relative concentration of the oxygen-containing groups accumulates around 3%, while the maximum decomposition temperature slowly decreases when the relative concentration of the oxygen-containing groups is more than 3%, due to the difficult damage to strong bonds

  10. [Sentinel node biopsy after neoadjuvant chemotherapy in breast cancer. Its relation with molecular subtypes].

    Science.gov (United States)

    Ruano, R; Ramos, M; García-Talavera, J R; Ramos, T; Rosero, A S; González-Orus, J M; Sancho, M

    2014-01-01

    To evaluate the influence of the molecular subtype (MS) in the Sentinel Node Biopsy (SNB) technique after neoadjuvant chemotherapy (NAC) in women with locally advanced breast cancer (BC) and a complete axillary response (CR). A prospective study involving 70 patients with BC treated with NAC was carried out. An axillary lymph node dissection was performed in the first 48 patients (validation group: VG), and in case of micro- or macrometastases in the therapeutic application phase (therapy group:TG). Classified according to MS: 14 luminal A; 16 luminal B HER2-, 13 luminal B HER2+, 10HER2+ non-luminal, 17 triple-negative. SNB was carried out in 98.6% of the cases, with only one false negative result in the VG (FN=2%). Molecular subtype did not affect SN detection. Despite the existence of axillary CR, statistically significant differences were found in the proportion of macrometastasis (16.7% vs. 35.7%, p=0.043) on comparing the pre-NAC cN0 and cN+. Breast tumor response to NAC varied among the different MS, this being lowest in luminal A (21.5%) and highest in non-luminal HER2+ group (80%). HER2+ and triple-negative were the groups with the best axillary histological response both when there was prior clinical involvement and when there was not. Molecular subtype is a predictive factor of the degree of tumor response to NAC in breast cancer. However, it does not affect SNB detection and efficiency. SNB can also be used safely in women with prior node involvement as long as a complete clinical and radiological assessment is made of the node response to NAC. Copyright © 2014 Elsevier España, S.L.U. and SEMNIM. All rights reserved.

  11. A Probabilistic Framework for Constructing Temporal Relations in Replica Exchange Molecular Trajectories.

    Science.gov (United States)

    Chattopadhyay, Aditya; Zheng, Min; Waller, Mark Paul; Priyakumar, U Deva

    2018-05-23

    Knowledge of the structure and dynamics of biomolecules is essential for elucidating the underlying mechanisms of biological processes. Given the stochastic nature of many biological processes, like protein unfolding, it's almost impossible that two independent simulations will generate the exact same sequence of events, which makes direct analysis of simulations difficult. Statistical models like Markov Chains, transition networks etc. help in shedding some light on the mechanistic nature of such processes by predicting long-time dynamics of these systems from short simulations. However, such methods fall short in analyzing trajectories with partial or no temporal information, for example, replica exchange molecular dynamics or Monte Carlo simulations. In this work we propose a probabilistic algorithm, borrowing concepts from graph theory and machine learning, to extract reactive pathways from molecular trajectories in the absence of temporal data. A suitable vector representation was chosen to represent each frame in the macromolecular trajectory (as a series of interaction and conformational energies) and dimensionality reduction was performed using principal component analysis (PCA). The trajectory was then clustered using a density-based clustering algorithm, where each cluster represents a metastable state on the potential energy surface (PES) of the biomolecule under study. A graph was created with these clusters as nodes with the edges learnt using an iterative expectation maximization algorithm. The most reactive path is conceived as the widest path along this graph. We have tested our method on RNA hairpin unfolding trajectory in aqueous urea solution. Our method makes the understanding of the mechanism of unfolding in RNA hairpin molecule more tractable. As this method doesn't rely on temporal data it can be used to analyze trajectories from Monte Carlo sampling techniques and replica exchange molecular dynamics (REMD).

  12. Thermally driven molecular linear motors - A molecular dynamics study

    DEFF Research Database (Denmark)

    Zambrano, Harvey A; Walther, Jens Honore; Jaffe, Richard Lawrence

    2009-01-01

    We conduct molecular dynamics simulations of a molecular linear motor consisting of coaxial carbon nanotubes with a long outer carbon nanotube confining and guiding the motion of an inner short, capsule-like nanotube. The simulations indicate that the motion of the capsule can be controlled by th...

  13. Investigation of molecular markers related to fecundity in local egyptian sheep

    International Nuclear Information System (INIS)

    Hassanin, W.F.E.

    2011-01-01

    The present experimental work aimed to investigate a number of molecular makers that influence fecundity in local Egyptian sheep. In the present study, twenty two (11 twin producing crossbred ewes, 7 single lamb producing crossbred ewes, 2 crossbred rams from twin producing ewes and 2 pure bred rams from twin producing ewes) were tested. They were carefully selected from the records of the Egyptian Nuclear Research Centre. The ewes were selected for their twin production in three repetitive production cycles while the rams were selected for being produced from prolific ewes as above. The presence of the booroola fecundity gene (FecB) (FecB mutation in bone morphogenic protein receptor gene 1B (BMPR1B)) and the Inverdale gene (FecX I ) (FecX I mutation in bone morphogenic receptor gene (BMP15)) using Forced restriction PCR of the FecB and FecX I mutations, 190 base pair (bp) was amplified using specific primer which was forward (5 ' -CCAGAGGACAATAGCAAAGCAAA -3 ' ) and reverse (5 ' -CAAGATGTTTTCATGCCTCATCAACAGGTC -3 ' ) and designed to introduce a point mutation in the resulting PCR products with FecB carrier sheep containing an AvaII restriction site (G|GACC). The FecB DNA test showed that there were no carriers for the FecB mutation in the selected prolific sheep sample. When a specific primer which was forward (5 ' -GAAGTAACCAGTGTTCCCTCCACCCTTTTCT-3 ' ) and reverse (5 ' -CATGATTGGGAGAATTGAGACC-3 ' ) used to test the presence of FecX I mutation no amplification resulted from DNA samples of the twin producing ewes while two amplified DNA fragments of molecular size 154 bp and 120 bp resulted from the single lamb producing females and male sheep under study. Serum samples were collected from sheep under study and tested using totallab 120 computer software analyses for Native protein gel images. Gel images revealed a protein pattern in twin producing ewe samples characterized by the presence of three bands with molecular weights 679.7, 524.3, and 431.1 kd and the

  14. The effect of fasting on the important molecular mechanisms related to cancer treatment

    Directory of Open Access Journals (Sweden)

    Vahideh Keyvani

    2014-11-01

    Full Text Available Fasting does have remarkable benefits in the treatment of cancer and another diseases such as metabolic syndrome, diabetes, and a multitude of other chronic diseases. It has been determined that fasting could play an important role during cancer treatment and progression via the regulation of insulin-like growth factor-1 (IGF-1 as well as other growth factors. Also, it has been shown that fasting would enhance the chemotherapy effect in cancer patients, selectively protects normal cells and organisms from chemotherapy toxicity, while simultaneously sensitizing tumors. In this article, we discuss the benefits of fasting in the treatment of cancer through several different molecular pathways.

  15. Molecular Relationship Between BALADI And Crossbred Bovine Female Calves Using AP-PCR And Its Relation To Body Weight

    International Nuclear Information System (INIS)

    EL-FOOLY, H.A.; EL-MASRY, K.A.; TEAMA, F.E.

    2009-01-01

    This experiment was conducted in the bovine farm of Experimental Farms Project of Nuclear Research Centre, Atomic Energy Authority of Egypt, which is located in the desert area of Inshas. DNA fingerprinting analysis using arbitrarily primed-polymerase chain reaction (AP-PCR) is a powerful technique for detecting markers that can be used for establishment of genetic variations, molecular relationships and taxonomy identifications between different animal breeds. In the present study, for detecting the genetic relationship between Egyptian bovine Baladi female and crossbred calves (Brown Swiss Baladi) previously imported, blood samples were collected from 10 animals (5 for each breed), DNA was isolated and AP-PCR technique was applied using four random primers to establish fingerprinting and molecular relationship between the two breeds using radioactive 32 P-dCTP for labelling the fragments amplified in PCR.. The band sharing coefficient between the two groups was calculated, and the quantity of DNA was correlated with average daily gain (ADG). The data showed non- significant correlation between the quantity of DNA and average daily gain. Also, data showed the powerful of the technique for detecting the molecular variations and there is a specific pattern for certain breeds especially when using the Knp-X primer. The present study also revealed that there was a close genetic relationship between the Egyptian Baladi breed and the crossbred calves (Brown Swiss Baladi) in about seventy percent of the genetic materials as represented by band-sharing (BS) = 0.7. In conclusion, the AP-PCR technique is effective in detecting the molecular variations between different breeds and provides a potential tool for studying the molecular relationships. The native Egyptian calves are genetically closely related to crossbred (Brown Swiss Baladi) by about 70%. Further studies on the large scale are needed using different primers for detecting patterns specific for each breed and

  16. Epidemiological and molecular characteristics of Chlamydia psittaci from 8 human cases of psittacosis and 4 related birds in Argentina.

    Science.gov (United States)

    Cadario, María E; Frutos, María C; Arias, Maite B; Origlia, Javier A; Zelaya, Vanina; Madariaga, María J; Lara, Claudia S; Ré, Viviana; Cuffini, Cecilia G

    In Argentina, the epidemiological and molecular characteristics of Chlamydia psittaci infections are still not sufficiently known. A total of 846 respiratory and 10 ocular samples from patients with suspected human psittacosis were tested for C. psittaci from January 2010 to March 2015. Four samples of birds related to these patients were also studied. Forty-eight samples were positive for C. psittaci by a nested PCR. The molecular characterization of twelve C. psittaci PCR-positive samples received in the National Reference Laboratory INEI-ANLIS "Dr. Carlos G. Malbrán", Buenos Aires, Argentina was performed. Eight positive samples from humans and four from birds were genotyped by ompA gene sequencing. C. psittaci genotype A was found in all human samples and in the related birds. This report contributes to our increasing knowledge of the epidemiological and molecular characteristics of C. psittaci to conduct effective surveillance of its zoonotic infections. Copyright © 2017 Asociación Argentina de Microbiología. Publicado por Elsevier España, S.L.U. All rights reserved.

  17. An Integrated Approach to Motion and Sound

    National Research Council Canada - National Science Library

    Hahn, James K; Geigel, Joe; Lee, Jong W; Gritz, Larry; Takala, Tapio; Mishra, Suneil

    1995-01-01

    Until recently, sound has been given little attention in computer graphics and related domains of computer animation and virtual environments, although sounds which are properly synchronized to motion...

  18. Molecular representation of molar domain (volume), evolution equations, and linear constitutive relations for volume transport.

    Science.gov (United States)

    Eu, Byung Chan

    2008-09-07

    In the traditional theories of irreversible thermodynamics and fluid mechanics, the specific volume and molar volume have been interchangeably used for pure fluids, but in this work we show that they should be distinguished from each other and given distinctive statistical mechanical representations. In this paper, we present a general formula for the statistical mechanical representation of molecular domain (volume or space) by using the Voronoi volume and its mean value that may be regarded as molar domain (volume) and also the statistical mechanical representation of volume flux. By using their statistical mechanical formulas, the evolution equations of volume transport are derived from the generalized Boltzmann equation of fluids. Approximate solutions of the evolution equations of volume transport provides kinetic theory formulas for the molecular domain, the constitutive equations for molar domain (volume) and volume flux, and the dissipation of energy associated with volume transport. Together with the constitutive equation for the mean velocity of the fluid obtained in a previous paper, the evolution equations for volume transport not only shed a fresh light on, and insight into, irreversible phenomena in fluids but also can be applied to study fluid flow problems in a manner hitherto unavailable in fluid dynamics and irreversible thermodynamics. Their roles in the generalized hydrodynamics will be considered in the sequel.

  19. Relative profile analysis of molecular markers for identification and genetic discrimination of loaches (Pisces, Nemacheilidae).

    Science.gov (United States)

    Patil, Tejas Suresh; Tamboli, Asif Shabodin; Patil, Swapnil Mahadeo; Bhosale, Amrut Ravindra; Govindwar, Sanjay Prabhu; Muley, Dipak Vishwanathrao

    2016-01-01

    Genus Nemacheilus, Nemachilichthys and Schistura belong to the family Nemacheilidae of the order Cypriniformes. The present investigation was undertaken to observe genetic diversity, phylogenetic relationship and to develop a molecular-based tool for taxonomic identification. For this purpose, four different types of molecular markers were utilized in which 29 random amplified polymorphic DNA (RAPD), 25 inter-simple sequence repeat (ISSR) markers, and 10 amplified fragment length polymorphism (AFLP) marker sets were screened and mitochondrial COI gene was sequenced. This study added COI barcodes for the identification of Nemacheilus anguilla, Nemachilichthys rueppelli and Schistura denisoni. RAPD showed higher polymorphism (100%) than the ISSR (93.75-100%) and AFLP (93.86-98.96%). The polymorphic information content (PIC), heterozygosity, multiplex ratio, and gene diversity was observed highest for AFLP primers, whereas the major allele frequency was observed higher for RAPD (0.5556) and lowest for AFLP (0.1667). The COI region of all individuals was successfully amplified and sequenced, which gave a 100% species resolution. Copyright © 2016 Académie des sciences. Published by Elsevier SAS. All rights reserved.

  20. Recognition of damage-associated, nucleic acid-related molecular patterns during inflammation and vaccination

    Directory of Open Access Journals (Sweden)

    Nao eJounai

    2013-01-01

    Full Text Available All mammalian cells are equipped with large numbers of sensors for protection from various sorts of invaders, who, in turn, are equipped with molecules containing pathogen-associated molecular patterns (PAMPs. Once these sensors recognize non-self antigens containing PAMPs, various physiological responses including inflammation are induced to eliminate the pathogens. However, the host sometimes suffers from chronic infection or continuous injuries, resulting in production of self-molecules containing damage-associated molecular patterns (DAMPs. DAMPs are also responsible for the elimination of pathogens, but promiscuous recognition of DAMPs through sensors against PAMPs has been reported. Accumulation of DAMPs leads to massive inflammation and continuous production of DAMPs; that is, a vicious circle leading to the development of autoimmune disease. From a vaccinological point of view, the accurate recognition of both PAMPs and DAMPs is important for vaccine immunogenicity, because vaccine adjuvants are composed of several PAMPs and/or DAMPs, which are also associated with severe adverse events after vaccination. Here, we review as the roles of PAMPs and DAMPs upon infection with pathogens or inflammation, and the sensors responsible for recognizing them, as well as their relationship with the development of autoimmune disease or the immunogenicity of vaccines.

  1. Optimizing the molecular diagnosis of CDKL5 gene-related epileptic encephalopathy in boys.

    Science.gov (United States)

    Mei, Davide; Darra, Francesca; Barba, Carmen; Marini, Carla; Fontana, Elena; Chiti, Laura; Parrini, Elena; Dalla Bernardina, Bernardo; Guerrini, Renzo

    2014-11-01

    Mutations involving the cyclin-dependent kinase-like 5 (CDKL5) gene cause an early onset epileptic encephalopathy (EE) with severe neurologic impairment and a skewed 12:1 female-to-male ratio. To date, 18 mutations have been described in boys. We analyzed our cohort of boys with early onset EE to assess the diagnostic yield of our molecular approach. We studied 74 boys who presented early onset severe seizures, including infantile spasms and developmental delay, in the setting of EE, using Sanger sequencing, next-generation sequencing (NGS) and multiplex ligation-dependent probe amplification (MLPA). We identified alterations involving CDKL5 in four boys (5.4%) using NGS in one and MLPA in three. Three of four mutations were indicative of somatic mosaicism. CDKL5 gene mutations accounted for 5.4% of boys with early onset EE. Somatic mosaic mutations might be even more represented than germline mutations, probably because their less deleterious effect enhances viability of the male embryo. The molecular approach used for CDKL5 screening remarkably influences the diagnostic yield in boys. Diagnosis is optimized by Sanger sequencing combined with array-based methods or MLPA; alternatively, NGS targeted resequencing designed to also detect copy number alterations, may be performed. Wiley Periodicals, Inc. © 2014 International League Against Epilepsy.

  2. The relation between molecular properties of drugs and their transport across the intestinal membrane

    Directory of Open Access Journals (Sweden)

    Zakeri-Milani P.

    2006-07-01

    Full Text Available The aim of this study was to investigate the relationship between the intestinal absorption of structurally diverse model drugs across the rat intestinal mucosa and their molecular properties. Permeability coefficients for 13 compounds were determined in anaesthetized rats. Drug solution in phosphate buffered saline (PBS was perfused through the intestinal segment with flow rate of 0.21 ml/min and samples were taken from outlet tubing at different time points up to 90 min. The permeability values ranged from 1.6×10-5 to 2 ×10-4 cm/sec for atenolol and ibuprofen respectively. Molecular properties of drugs including the number of hydrogen bond donors and acceptors, log P, logD, topological polar surface area and number of rotatable bonds were considered. The results indicated that compounds which meet 10 or fewer number of rotatable bonds and topological surface area equal to or less than 140 A◦ have a high probability of good intestinal permeability and fraction of dose which is absorbed in human. Moreover the results indicated that lower number of hydrogen bond counts and higher logD and logP values are associated with higher permeability and bioavailabilty of drugs. Therefore the experimental and computational methods could be used for the prediction of intestinal drug permeability.

  3. The geometry of generalized force matching and related information metrics in coarse-graining of molecular systems

    International Nuclear Information System (INIS)

    Kalligiannaki, Evangelia; Harmandaris, Vagelis; Katsoulakis, Markos A.; Plecháč, Petr

    2015-01-01

    Using the probabilistic language of conditional expectations, we reformulate the force matching method for coarse-graining of molecular systems as a projection onto spaces of coarse observables. A practical outcome of this probabilistic description is the link of the force matching method with thermodynamic integration. This connection provides a way to systematically construct a local mean force and to optimally approximate the potential of mean force through force matching. We introduce a generalized force matching condition for the local mean force in the sense that allows the approximation of the potential of mean force under both linear and non-linear coarse graining mappings (e.g., reaction coordinates, end-to-end length of chains). Furthermore, we study the equivalence of force matching with relative entropy minimization which we derive for general non-linear coarse graining maps. We present in detail the generalized force matching condition through applications to specific examples in molecular systems

  4. The geometry of generalized force matching and related information metrics in coarse-graining of molecular systems

    Energy Technology Data Exchange (ETDEWEB)

    Kalligiannaki, Evangelia, E-mail: ekalligian@tem.uoc.gr [Department of Mathematics and Applied Mathematics, University of Crete, 70013 Heraklion (Greece); Harmandaris, Vagelis, E-mail: harman@uoc.gr [Department of Mathematics and Applied Mathematics, University of Crete, 70013 Heraklion (Greece); Institute of Applied and Computational Mathematics (IACM), Foundation for Research and Technology Hellas (FORTH), IACM/FORTH, GR-71110 Heraklion (Greece); Katsoulakis, Markos A., E-mail: markos@math.umass.edu [Department of Mathematics and Statistics, University of Massachusetts, Amherst, Massachusetts 01003 (United States); Plecháč, Petr, E-mail: plechac@math.udel.edu [Department of Mathematical Sciences, University of Delaware, Newark, Delaware 19716 (United States)

    2015-08-28

    Using the probabilistic language of conditional expectations, we reformulate the force matching method for coarse-graining of molecular systems as a projection onto spaces of coarse observables. A practical outcome of this probabilistic description is the link of the force matching method with thermodynamic integration. This connection provides a way to systematically construct a local mean force and to optimally approximate the potential of mean force through force matching. We introduce a generalized force matching condition for the local mean force in the sense that allows the approximation of the potential of mean force under both linear and non-linear coarse graining mappings (e.g., reaction coordinates, end-to-end length of chains). Furthermore, we study the equivalence of force matching with relative entropy minimization which we derive for general non-linear coarse graining maps. We present in detail the generalized force matching condition through applications to specific examples in molecular systems.

  5. On selection rules in vibrational and rotational molecular spectroscopy

    International Nuclear Information System (INIS)

    Guichardet, A.

    1986-01-01

    The aim of this work is a rigorous proof of the Selection Rules in Molecular Spectroscopy (Vibration and Rotation). To get this we give mathematically rigorous definitions of the (tensor) transition operators, in this case the electric dipole moment; this is done, firstly by considering the molecule as a set of point atomic kernels performing arbitrary motions, secondly by limiting ourselves either to infinitesimal vibration motions, or to arbitrary rotation motions. Then the selection rules follow from an abstract formulation of the Wigner-Eckart theorem. In a last paragraph we discuss the problem of separating vibration and rotation motions; very simple ideas from Differential Geometry, linked with the ''slice theorem'', allow us to define the relative speeds, the solid motions speeds, the Coriolis energies and the moving Eckart frames [fr

  6. A novel heat shock protein alpha 8 (Hspa8) molecular network mediating responses to stress- and ethanol-related behaviors.

    Science.gov (United States)

    Urquhart, Kyle R; Zhao, Yinghong; Baker, Jessica A; Lu, Ye; Yan, Lei; Cook, Melloni N; Jones, Byron C; Hamre, Kristin M; Lu, Lu

    2016-04-01

    Genetic differences mediate individual differences in susceptibility and responses to stress and ethanol, although, the specific molecular pathways that control these responses are not fully understood. Heat shock protein alpha 8 (Hspa8) is a molecular chaperone and member of the heat shock protein family that plays an integral role in the stress response and that has been implicated as an ethanol-responsive gene. Therefore, we assessed its role in mediating responses to stress and ethanol across varying genetic backgrounds. The hippocampus is an important mediator of these responses, and thus, was examined in the BXD family of mice in this study. We conducted bioinformatic analyses to dissect genetic factors modulating Hspa8 expression, identify downstream targets of Hspa8, and examined its role. Hspa8 is trans-regulated by a gene or genes on chromosome 14 and is part of a molecular network that regulates stress- and ethanol-related behaviors. To determine additional components of this network, we identified direct or indirect targets of Hspa8 and show that these genes, as predicted, participate in processes such as protein folding and organic substance metabolic processes. Two phenotypes that map to the Hspa8 locus are anxiety-related and numerous other anxiety- and/or ethanol-related behaviors significantly correlate with Hspa8 expression. To more directly assay this relationship, we examined differences in gene expression following exposure to stress or alcohol and showed treatment-related differential expression of Hspa8 and a subset of the members of its network. Our findings suggest that Hspa8 plays a vital role in genetic differences in responses to stress and ethanol and their interactions.

  7. Molecular phylogeny of the Thyropygus allevatus group of giant millipedes and some closely related groups

    DEFF Research Database (Denmark)

    Pimvichai, Piyatida; Enghoff, Henrik; Panha, Somsak

    2014-01-01

    from six genera in the subfamilies Harpagophorinae and Rhynchoproctinae, as well as nine new morphotypes (regarded as new species), were performed with the DNA sequences from two mitochondrial gene fragments (16S rRNA and COI). The genus Thyropygus (Harpagophorinae) was recovered as monophyletic under......Giant cylindrical millipedes of the family Harpagophoridae, especially species of the genus Thyropygus, are broadly distributed in Thailand and nearby countries. They show a great deal of variation in body size, color patterns and gonopodal characters. Phylogenetic analyses of 26 nominate species...... the usefulness of, gonopodal characters for the classification and identification of harpagophorid millipedes, and additionally supported previous studies on the delimitation of species and subgroups. This is the first molecular study inside the family Harpagophoridae and provides the basis for further studies...

  8. MLH1 Promoter Methylation Frequency in Colorectal Cancer Patients and Related Clinicopathological and Molecular Features

    Science.gov (United States)

    Li, Xia; Yao, Xiaoping; Wang, Yibaina; Hu, Fulan; Wang, Fan; Jiang, Liying; Liu, Yupeng; Wang, Da; Sun, Guizhi; Zhao, Yashuang

    2013-01-01

    Purpose To describe the frequency of MLH1 promoter methylation in colorectal cancer (CRC); to explore the associations between MLH1 promoter methylation and clinicopathological and molecular factors using a systematic review and meta-analysis. Methods A literature search of the PubMed and Embase databases was conducted to identify relevant articles published up to September 7, 2012 that described the frequency of MLH1 promoter methylation or its associations with clinicopathological and molecular factors in CRC. The pooled frequency, odds ratio (OR) and 95% confidence intervals (95% CI) were calculated. Results The pooled frequency of MLH1 promoter methylation in unselected CRC was 20.3% (95% CI: 16.8–24.1%). They were 18.7% (95% CI: 14.7–23.6%) and 16.4% (95% CI: 11.9–22.0%) in sporadic and Lynch syndrome (LS) CRC, respectively. Significant associations were observed between MLH1 promoter methylation and gender (pooled OR = 1.641, 95% CI: 1.215–2.215; P = 0.001), tumor location (pooled OR = 3.804, 95% CI: 2.715–5.329; PMLH1 promoter methylation and MLH1 protein expression, BRAF mutation (OR = 14.919 (95% CI: 6.427–34.631; PMLH1 promoter methylation in unselected CRC was 20.3%. They were 18.7% in sporadic CRC and 16.4% in LS CRC, respectively. MLH1 promoter methylation may be significantly associated with gender, tumor location, tumor differentiation, MSI, MLH1 protein expression, and BRAF mutation. PMID:23555617

  9. MLH1 promoter methylation frequency in colorectal cancer patients and related clinicopathological and molecular features.

    Directory of Open Access Journals (Sweden)

    Xia Li

    Full Text Available To describe the frequency of MLH1 promoter methylation in colorectal cancer (CRC; to explore the associations between MLH1 promoter methylation and clinicopathological and molecular factors using a systematic review and meta-analysis.A literature search of the PubMed and Embase databases was conducted to identify relevant articles published up to September 7, 2012 that described the frequency of MLH1 promoter methylation or its associations with clinicopathological and molecular factors in CRC. The pooled frequency, odds ratio (OR and 95% confidence intervals (95% CI were calculated.The pooled frequency of MLH1 promoter methylation in unselected CRC was 20.3% (95% CI: 16.8-24.1%. They were 18.7% (95% CI: 14.7-23.6% and 16.4% (95% CI: 11.9-22.0% in sporadic and Lynch syndrome (LS CRC, respectively. Significant associations were observed between MLH1 promoter methylation and gender (pooled OR = 1.641, 95% CI: 1.215-2.215; P = 0.001, tumor location (pooled OR = 3.804, 95% CI: 2.715-5.329; P<0.001, tumor differentiation (pooled OR = 2.131, 95% CI: 1.464-3.102; P<0.001, MSI (OR: 27.096, 95% CI: 13.717-53.526; P<0.001. Significant associations were also observed between MLH1 promoter methylation and MLH1 protein expression, BRAF mutation (OR = 14.919 (95% CI: 6.427-34.631; P<0.001 and 9.419 (95% CI: 2.613-33.953; P = 0.001, respectively.The frequency of MLH1 promoter methylation in unselected CRC was 20.3%. They were 18.7% in sporadic CRC and 16.4% in LS CRC, respectively. MLH1 promoter methylation may be significantly associated with gender, tumor location, tumor differentiation, MSI, MLH1 protein expression, and BRAF mutation.

  10. Motion in radiotherapy

    DEFF Research Database (Denmark)

    Korreman, Stine Sofia

    2012-01-01

    This review considers the management of motion in photon radiation therapy. An overview is given of magnitudes and variability of motion of various structures and organs, and how the motion affects images by producing artifacts and blurring. Imaging of motion is described, including 4DCT and 4DPE...

  11. Motion sickness: a negative reinforcement model.

    Science.gov (United States)

    Bowins, Brad

    2010-01-15

    Theories pertaining to the "why" of motion sickness are in short supply relative to those detailing the "how." Considering the profoundly disturbing and dysfunctional symptoms of motion sickness, it is difficult to conceive of why this condition is so strongly biologically based in humans and most other mammalian and primate species. It is posited that motion sickness evolved as a potent negative reinforcement system designed to terminate motion involving sensory conflict or postural instability. During our evolution and that of many other species, motion of this type would have impaired evolutionary fitness via injury and/or signaling weakness and vulnerability to predators. The symptoms of motion sickness strongly motivate the individual to terminate the offending motion by early avoidance, cessation of movement, or removal of oneself from the source. The motion sickness negative reinforcement mechanism functions much like pain to strongly motivate evolutionary fitness preserving behavior. Alternative why theories focusing on the elimination of neurotoxins and the discouragement of motion programs yielding vestibular conflict suffer from several problems, foremost that neither can account for the rarity of motion sickness in infants and toddlers. The negative reinforcement model proposed here readily accounts for the absence of motion sickness in infants and toddlers, in that providing strong motivation to terminate aberrant motion does not make sense until a child is old enough to act on this motivation.

  12. Molecular mechanisms underlying the potential antiobesity-related diseases effect of cocoa polyphenols

    NARCIS (Netherlands)

    Ali, F.; Ismail, A.; Kersten, A.H.

    2014-01-01

    Obesity and related metabolic diseases (e.g., type 2 diabetes, cardiovascular diseases, and hypertension) are the most prevailing nutrition-related issues in the world. An emerging feature of obesity is their relationship with chronic inflammation that begins in white adipose tissue and eventually

  13. Development of age-related maculopathy: a histochemical and molecular approach

    NARCIS (Netherlands)

    A.C. Lambooij (Antoinette)

    2002-01-01

    textabstractAge-related maculopathy (ARM) is a severe threat to the visual ability of people over 65 years of age. In the late stages of ARM, called age-related macular degeneration (AMD), photoreceptor cells gradually disappear. New vessels growing beneath the retina may complicateb the disease;

  14. Molecular determination of RHD zygosity: predicting risk of hemolytic disease of the fetus and newborn related to anti-D.

    Science.gov (United States)

    Pirelli, Kevin J; Pietz, Bradley C; Johnson, Susan T; Pinder, Holly L; Bellissimo, Daniel B

    2010-12-01

    Development of an accurate molecular method for paternal RHD zygosity to predict risk to a fetus for hemolytic disease of the fetus and newborn (HDFN) related to anti-D. Quantitative fluorescence polymerase chain reaction (QF-PCR) was used to detect RHD exons 5 and 7, using RHCE exon 7 as an internal control. The genotype and zygosity were determined from the peak area ratios of RHD exon 5 or 7 to RHCE exon 7. We tested 25 Caucasian and 25 African American (AA) samples whose zygosity was predicted from the Rh phenotype and an alternate molecular method. In addition, we tested 71 paternal samples from prenatal cases where fetal testing was performed. RHD/RHCE ratios clearly distinguished the RHD/D and RHD/d genotypes. RHD variants were recognized when RHD exon 5 copy number was discordant with exon 7. The molecular assay identified eight cases where the phenotype incorrectly assigned zygosity and we observed three false-negatives in the hybrid Rhesus box assay. The prenatal results were consistent with the zygosity determined for the paternal samples in our study. This QF-PCR method accurately determines RHD zygosity in Caucasians and AAs and will help predict the risk that a fetus will inherit RHD. Copyright © 2010 John Wiley & Sons, Ltd.

  15. Two Antarctic penguin genomes reveal insights into their evolutionary history and molecular changes related to the Antarctic environment.

    Science.gov (United States)

    Li, Cai; Zhang, Yong; Li, Jianwen; Kong, Lesheng; Hu, Haofu; Pan, Hailin; Xu, Luohao; Deng, Yuan; Li, Qiye; Jin, Lijun; Yu, Hao; Chen, Yan; Liu, Binghang; Yang, Linfeng; Liu, Shiping; Zhang, Yan; Lang, Yongshan; Xia, Jinquan; He, Weiming; Shi, Qiong; Subramanian, Sankar; Millar, Craig D; Meader, Stephen; Rands, Chris M; Fujita, Matthew K; Greenwold, Matthew J; Castoe, Todd A; Pollock, David D; Gu, Wanjun; Nam, Kiwoong; Ellegren, Hans; Ho, Simon Yw; Burt, David W; Ponting, Chris P; Jarvis, Erich D; Gilbert, M Thomas P; Yang, Huanming; Wang, Jian; Lambert, David M; Wang, Jun; Zhang, Guojie

    2014-01-01

    Penguins are flightless aquatic birds widely distributed in the Southern Hemisphere. The distinctive morphological and physiological features of penguins allow them to live an aquatic life, and some of them have successfully adapted to the hostile environments in Antarctica. To study the phylogenetic and population history of penguins and the molecular basis of their adaptations to Antarctica, we sequenced the genomes of the two Antarctic dwelling penguin species, the Adélie penguin [Pygoscelis adeliae] and emperor penguin [Aptenodytes forsteri]. Phylogenetic dating suggests that early penguins arose ~60 million years ago, coinciding with a period of global warming. Analysis of effective population sizes reveals that the two penguin species experienced population expansions from ~1 million years ago to ~100 thousand years ago, but responded differently to the climatic cooling of the last glacial period. Comparative genomic analyses with other available avian genomes identified molecular changes in genes related to epidermal structure, phototransduction, lipid metabolism, and forelimb morphology. Our sequencing and initial analyses of the first two penguin genomes provide insights into the timing of penguin origin, fluctuations in effective population sizes of the two penguin species over the past 10 million years, and the potential associations between these biological patterns and global climate change. The molecular changes compared with other avian genomes reflect both shared and diverse adaptations of the two penguin species to the Antarctic environment.

  16. Molecular analysis of expansion, differentiation, and growth factor treatment of human chondrocytes identifies differentiation markers and growth-related genes.

    Science.gov (United States)

    Benz, Karin; Breit, Stephen; Lukoschek, Martin; Mau, Hans; Richter, Wiltrud

    2002-04-26

    This study is intended to optimise expansion and differentiation of cultured human chondrocytes by growth factor application and to identify molecular markers to monitor their differentiation state. We dissected the molecular consequences of matrix release, monolayer, and 3D-alginate culture, growth factor optimised expansion, and re-differentiation protocols by gene expression analysis. Among 19 common cartilage molecules assessed by cDNA array, six proved best to monitor differentiation. Instant down-regulation at release of cells from the matrix was strongest for COL 2A1, fibromodulin, and PRELP while LUM, CHI3L1, and CHI3L2 were expansion-related. Both gene sets reflected the physiologic effects of the most potent growth-inducing (PDGF-BB) and proteoglycan-inducing (BMP-4) factors. Only CRTAC1 expression correlated with 2D/3D switches while the molecular phenotype of native chondrocytes was not restored. The markers and optimised protocols we suggest can help to improve cell therapy of cartilage defects and chondrocyte differentiation from stem cell sources.

  17. Motion correction options in PET/MRI.

    Science.gov (United States)

    Catana, Ciprian

    2015-05-01

    Subject motion is unavoidable in clinical and research imaging studies. Breathing is the most important source of motion in whole-body PET and MRI studies, affecting not only thoracic organs but also those in the upper and even lower abdomen. The motion related to the pumping action of the heart is obviously relevant in high-resolution cardiac studies. These two sources of motion are periodic and predictable, at least to a first approximation, which means certain techniques can be used to control the motion (eg, by acquiring the data when the organ of interest is relatively at rest). Additionally, nonperiodic and unpredictable motion can also occur during the scan. One obvious limitation of methods relying on external devices (eg, respiratory bellows or the electrocardiogram signal to monitor the respiratory or cardiac cycle, respectively) to trigger or gate the data acquisition is that the complex motion of internal organs cannot be fully characterized. However, detailed information can be obtained using either the PET or MRI data (or both) allowing the more complete characterization of the motion field so that a motion model can be built. Such a model and the information derived from simple external devices can be used to minimize the effects of motion on the collected data. In the ideal case, all the events recorded during the PET scan would be used to generate a motion-free or corrected PET image. The detailed motion field can be used for this purpose by applying it to the PET data before, during, or after the image reconstruction. Integrating all these methods for motion control, characterization, and correction into a workflow that can be used for routine clinical studies is challenging but could potentially be extremely valuable given the improvement in image quality and reduction of motion-related image artifacts. Copyright © 2015 Elsevier Inc. All rights reserved.

  18. A reversible, unidirectional molecular rotary motor driven by chemical energy

    NARCIS (Netherlands)

    Fletcher, SP; Dumur, F; Pollard, MM; Feringa, BL

    2005-01-01

    With the long-term goal of producing nanometer-scale machines, we describe here the unidirectional rotary motion of a synthetic molecular structure fueled by chemical conversions. The basis of the rotation is the movement,of a phenyl rotor relative to a naphthyl stator about a single bond axle. The

  19. Duodenoscope-Related Outbreak of a Carbapenem-Resistant Klebsiella pneumoniae Identified Using Advanced Molecular Diagnostics.

    Science.gov (United States)

    Humphries, Romney M; Yang, Shuan; Kim, Stephen; Muthusamy, Venkatara Raman; Russell, Dana; Trout, Alisa M; Zaroda, Teresa; Cheng, Quen J; Aldrovandi, Grace; Uslan, Daniel Zachary; Hemarajata, Peera; Rubin, Zachary Aaron

    2017-10-01

    Carbapenem-resistant Klebsiella pneumoniae infections are increasingly prevalent in North American hospitals. We describe an outbreak of carbapenem-resistant K. pneumoniae containing the blaOXA-232 gene transmitted by contaminated duodenoscopes during endoscopic retrograde cholangiopancreatography (ERCP) procedures. An outbreak investigation was performed when 9 patients with blaOXA-232 carbapenem-resistant K. pneumoniae infections were identified at a tertiary care hospital. The investigation included 2 case-control studies, review of duodenoscope reprocessing procedures, and culture of devices. Carbapenem-resistant Enterobacteriacieae (CRE) isolates were evaluated with polymerase chain reaction analysis for carbapenemase genes, and isolates with the blaOXA-232 gene were subjected to whole-genome sequencing and chromosome single-nucleotide polymorphism analysis. On recognition of ERCP as a key risk factor for infection, targeted patient notification and CRE screening cultures were performed. Molecular testing ultimately identified 17 patients with blaOxa-232 carbapenem-resistant K. pneumoniae isolates, including 9 with infections, 7 asymptomatic carriers who had undergone ERCP, and 1 additional patient who had been hospitalized in India and was probably the initial carrier. Two case-control studies established a point-source outbreak associated with 2 specific duodenoscopes. A field investigation of the use, reprocessing, and storage of deuodenoscopes did not identify deviations from US Food and Drug Administration or manufacturer recommendations for reprocessing. This outbreak demonstrated the previously underappreciated potential for duodenoscopes to transmit disease, even after undergoing high-level disinfection according to manufacturers' guidelines.

  20. PPARγ population shift produces disease-related changes in molecular networks associated with metabolic syndrome.

    Science.gov (United States)

    Jurkowski, W; Roomp, K; Crespo, I; Schneider, J G; Del Sol, A

    2011-08-11

    Peroxisome proliferator-activated receptor gamma (PPARγ) is a key regulator of adipocyte differentiation and has an important role in metabolic syndrome. Phosphorylation of the receptor's ligand-binding domain at serine 273 has been shown to change the expression of a large number of genes implicated in obesity. The difference in gene expression seen when comparing wild-type phosphorylated with mutant non-phosphorylated PPARγ may have important consequences for the cellular molecular network, the state of which can be shifted from the healthy to a stable diseased state. We found that a group of differentially expressed genes are involved in bi-stable switches and form a core network, the state of which changes with disease progression. These findings support the idea that bi-stable switches may be a mechanism for locking the core gene network into a diseased state and for efficiently propagating perturbations to more distant regions of the network. A structural analysis of the PPARγ-RXRα dimer complex supports the hypothesis of a major structural change between the two states, and this may represent an important mechanism leading to the differential expression observed in the core network.

  1. Molecular diversity of arbuscular mycorrhizal fungi in relation to soil chemical properties and heavy metal contamination

    International Nuclear Information System (INIS)

    Zarei, Mehdi; Hempel, Stefan; Wubet, Tesfaye; Schaefer, Tina; Savaghebi, Gholamreza; Jouzani, Gholamreza Salehi; Nekouei, Mojtaba Khayam; Buscot, Francois

    2010-01-01

    Abundance and diversity of arbuscular mycorrhizal fungi (AMF) associated with dominant plant species were studied along a transect from highly lead (Pb) and zinc (Zn) polluted to non-polluted soil at the Anguran open pit mine in Iran. Using an established primer set for AMF in the internal transcribed spacer (ITS) region of rDNA, nine different AMF sequence types were distinguished after phylogenetic analyses, showing remarkable differences in their distribution patterns along the transect. With decreasing Pb and Zn concentration, the number of AMF sequence types increased, however one sequence type was only found in the highly contaminated area. Multivariate statistical analysis revealed that further factors than HM soil concentration affect the AMF community at contaminated sites. Specifically, the soils' calcium carbonate equivalent and available P proved to be of importance, which illustrates that field studies on AMF distribution should also consider important environmental factors and their possible interactions. - The molecular diversity of AMF was found to be influenced by a combination of soil heavy metal and other soil chemical parameters.

  2. Pathogenesis of Helicobacter pylori-Related Gastroduodenal Diseases from Molecular Epidemiological Studies.

    Science.gov (United States)

    Yamaoka, Yoshio

    2012-01-01

    Helicobacter pylori is a major human pathogen that infects the stomach and produces inflammation that is responsible for various gastroduodenal diseases. Despite the high prevalence of H. pylori infections in Africa and South Asia, the incidence of gastric cancer in these areas is much lower than in other countries. The incidence of gastric cancer also tends to decrease from north to south in East Asia. Data from molecular epidemiological studies show that this variation in different geographic areas could be explained in part by different types of H. pylori virulence factors, especially CagA, VacA, and OipA. H. pylori infection is thought to be involved in both gastric cancer and duodenal ulcer, which are at opposite ends of the disease spectrum. This discrepancy can also be explained in part by another H. pylori factor, DupA, as well as by CagA typing (East Asian type versus Western type). H. pylori has a genome of approximately 1,600 genes; therefore, there might be other novel virulence factors. Because genome wide analyses using whole-genome sequencing technology give a broad view of the genome of H. pylori, we hope that next-generation sequencers will enable us to efficiently investigate novel virulence factors.

  3. Pathogenesis of Helicobacter pylori-Related Gastroduodenal Diseases from Molecular Epidemiological Studies

    Directory of Open Access Journals (Sweden)

    Yoshio Yamaoka

    2012-01-01

    Full Text Available Helicobacter pylori is a major human pathogen that infects the stomach and produces inflammation that is responsible for various gastroduodenal diseases. Despite the high prevalence of H. pylori infections in Africa and South Asia, the incidence of gastric cancer in these areas is much lower than in other countries. The incidence of gastric cancer also tends to decrease from north to south in East Asia. Data from molecular epidemiological studies show that this variation in different geographic areas could be explained in part by different types of H. pylori virulence factors, especially CagA, VacA, and OipA. H. pylori infection is thought to be involved in both gastric cancer and duodenal ulcer, which are at opposite ends of the disease spectrum. This discrepancy can also be explained in part by another H. pylori factor, DupA, as well as by CagA typing (East Asian type versus Western type. H. pylori has a genome of approximately 1,600 genes; therefore, there might be other novel virulence factors. Because genome wide analyses using whole-genome sequencing technology give a broad view of the genome of H. pylori, we hope that next-generation sequencers will enable us to efficiently investigate novel virulence factors.

  4. Molecular diversity of arbuscular mycorrhizal fungi in relation to soil chemical properties and heavy metal contamination

    Energy Technology Data Exchange (ETDEWEB)

    Zarei, Mehdi [Department of Soil Science, College of Agriculture, University of Shiraz, Shiraz (Iran, Islamic Republic of); Hempel, Stefan, E-mail: hempel.stefan@googlemail.co [UFZ Helmholtz Centre for Environmental Research Leipzig-Halle, Department of Soil Ecology, Theodor-Lieser-Strasse 4, 06120 Halle (Germany); Freie Universitaet Berlin, Institut fuer Biologie, Okologie der Pflanzen, Altensteinstrasse 6, 14195 Berlin (Germany); Wubet, Tesfaye; Schaefer, Tina [UFZ Helmholtz Centre for Environmental Research Leipzig-Halle, Department of Soil Ecology, Theodor-Lieser-Strasse 4, 06120 Halle (Germany); Savaghebi, Gholamreza [Department of Soil Science Engineering, University College of Agriculture and Natural Resources, University of Tehran, Karaj (Iran, Islamic Republic of); Jouzani, Gholamreza Salehi; Nekouei, Mojtaba Khayam [Agricultural Biotechnology Research Institute of Iran (ABRII), P.O. Box 31535-1897, Karaj (Iran, Islamic Republic of); Buscot, Francois [UFZ Helmholtz Centre for Environmental Research Leipzig-Halle, Department of Soil Ecology, Theodor-Lieser-Strasse 4, 06120 Halle (Germany)

    2010-08-15

    Abundance and diversity of arbuscular mycorrhizal fungi (AMF) associated with dominant plant species were studied along a transect from highly lead (Pb) and zinc (Zn) polluted to non-polluted soil at the Anguran open pit mine in Iran. Using an established primer set for AMF in the internal transcribed spacer (ITS) region of rDNA, nine different AMF sequence types were distinguished after phylogenetic analyses, showing remarkable differences in their distribution patterns along the transect. With decreasing Pb and Zn concentration, the number of AMF sequence types increased, however one sequence type was only found in the highly contaminated area. Multivariate statistical analysis revealed that further factors than HM soil concentration affect the AMF community at contaminated sites. Specifically, the soils' calcium carbonate equivalent and available P proved to be of importance, which illustrates that field studies on AMF distribution should also consider important environmental factors and their possible interactions. - The molecular diversity of AMF was found to be influenced by a combination of soil heavy metal and other soil chemical parameters.

  5. The MicroActive project: automatic detection of disease-related molecular cell activity

    Science.gov (United States)

    Furuberg, Liv; Mielnik, Michal; Johansen, Ib-Rune; Voitel, Jörg; Gulliksen, Anja; Solli, Lars; Karlsen, Frank; Bayer, Tobias; Schönfeld, Friedhelm; Drese, Klaus; Keegan, Helen; Martin, Cara; O'Leary, John; Riegger, Lutz; Koltay, Peter

    2007-05-01

    The aim of the MicroActive project is to develop an instrument for molecular diagnostics. The instrument will first be tested for patient screening for a group of viruses causing cervical cancer. Two disposable polymer chips with reagents stored on-chip will be inserted into the instrument for each patient sample. The first chip performs sample preparation of the epithelial cervical cells while mRNA amplification and fluorescent detection takes place in the second chip. More than 10 different virus markers will be analysed in one chip. We report results on sub-functions of the amplification chip. The sample is split into smaller droplets, and the droplets move in parallel channels containing different dried reagents for the different analyses. We report experimental results on parallel droplet movement control using one external pump only, combined with hydrophobic valves. Valve burst pressures are controlled by geometry. We show droplet control using valves with burst pressures between 800 and 4500 Pa. We also monitored the re-hydration times for two necessary dried reagents. After sample insertion, uniform concentration of the reagents in the droplet was reached after respectively 60 s and 10 min. These times are acceptable for successful amplification. Finally we have shown positive amplification of HPV type 16 using dried enzymes stored in micro chambers.

  6. Motion Transplantation Techniques: A Survey

    NARCIS (Netherlands)

    van Basten, Ben; Egges, Arjan

    2012-01-01

    During the past decade, researchers have developed several techniques for transplanting motions. These techniques transplant a partial auxiliary motion, possibly defined for a small set of degrees of freedom, on a base motion. Motion transplantation improves motion databases' expressiveness and

  7. Active motions of Brownian particles in a generalized energy-depot model

    International Nuclear Information System (INIS)

    Zhang Yong; Koo Kim, Chul; Lee, Kong-Ju-Bock

    2008-01-01

    We present a generalized energy-depot model in which the rate of conversion of the internal energy into motion can be dependent on the position and velocity of a particle. When the conversion rate is a general function of the velocity, the active particle exhibits diverse patterns of motion, including a braking mechanism and a stepping motion. The phase trajectories of the motion are investigated in a systematic way. With a particular form of the conversion rate dependent on the position and velocity, the particle shows a spontaneous oscillation characterizing a negative stiffness. These types of active behaviors are compared with similar phenomena observed in biology, such as the stepping motion of molecular motors and amplification in the hearing mechanism. Hence, our model can provide a generic understanding of the active motion related to the energy conversion and also a new control mechanism for nano-robots. We also investigate the effect of noise, especially on the stepping motion, and observe random walk-like behavior as expected.

  8. Molecular genetic models related to schizophrenia and psychotic illness: heuristics and challenges.

    Science.gov (United States)

    O'Tuathaigh, Colm M P; Desbonnet, Lieve; Moran, Paula M; Kirby, Brian P; Waddington, John L

    2011-01-01

    Schizophrenia is a heritable disorder that may involve several common genes of small effect and/or rare copy number variation, with phenotypic heterogeneity across patients. Furthermore, any boundaries vis-à-vis other psychotic disorders are far from clear. Consequently, identification of informative animal models for this disorder, which typically relate to pharmacological and putative pathophysiological processes of uncertain validity, faces considerable challenges. In juxtaposition, the majority of mutant models for schizophrenia relate to the functional roles of a diverse set of genes associated with risk for the disorder or with such putative pathophysiological processes. This chapter seeks to outline the evidence from phenotypic studies in mutant models related to schizophrenia. These have commonly assessed the degree to which mutation of a schizophrenia-related gene is associated with the expression of several aspects of the schizophrenia phenotype or more circumscribed, schizophrenia-related endophenotypes; typically, they place specific emphasis on positive and negative symptoms and cognitive deficits, and extend to structural and other pathological features. We first consider the primary technological approaches to the generation of such mutants, to include their relative merits and demerits, and then highlight the diverse phenotypic approaches that have been developed for their assessment. The chapter then considers the application of mutant phenotypes to study pathobiological and pharmacological mechanisms thought to be relevant for schizophrenia, particularly in terms of dopaminergic and glutamatergic dysfunction, and to an increasing range of candidate susceptibility genes and copy number variants. Finally, we discuss several pertinent issues and challenges within the field which relate to both phenotypic evaluation and a growing appreciation of the functional genomics of schizophrenia and the involvement of gene × environment interactions.

  9. Molecular recognition of floral volatile with two olfactory related proteins in the Eastern honeybee (Apis cerana).

    Science.gov (United States)

    Li, Hongliang; Zhang, Linya; Ni, Cuixia; Shang, Hanwu; Zhuang, Shulin; Li, Jianke

    2013-05-01

    The honeybee relies on its sensitive olfaction to perform the foraging activities in the field. In the antennal chemoreception system of honeybee, odorant-binding proteins (OBPs) and chemosensory protein (CSPs) are major two protein families capable of binding with some plant volatiles and chemical ligands. However, the chemical binding interaction of plant odors with OBPs and CSPs in the honeybee olfactory system is still not clear yet. Hence, complex fluorescent spectra, ultraviolet absorption spectra, circular dichroism spectra and molecular docking were used to investigate the binding property of AcerASP2 (an OBP of Apis cerana) and AcerASP3 (a CSP of Apis cerana) with β-ionone, one of ordinary floral volatiles in botanical flower. As a result, β-ionone had a strong capability to quench the fluorescence that the two proteins produced, and their interaction was a dynamic process that was mainly driven by a hydrophobic force. AcerASP2 had a larger hydrophobic cavity than that of AcerASP3 and the conformation of AcerASP2 was changed less than AcerASP3 when binding with β-ionone. Our data suggests that OBPs like AcerASP2 might make a large contribution toward assisting the honeybee in sensing and foraging flowers, and A. cerana has evolved a good circadian rhythm to perceive a flower's odor following the fluctuation of temperature in the olfactory system. This significantly extends our knowledge on how to strengthen the honeybees' pollination service via manipulation of target proteins in the olfactory system. Copyright © 2013 Elsevier B.V. All rights reserved.

  10. Determination of the Relative Atomic Masses of Metals by Liberation of Molecular Hydrogen

    Science.gov (United States)

    Waghorne, W. Earle; Rous, Andrew J.

    2009-01-01

    Students determine the relative atomic masses of calcium, magnesium, and aluminum by reaction with hydrochloric acid and measurement of the volume of hydrogen gas liberated. The experiment demonstrates stoichiometry and illustrates clearly that mass of the reagent is not the determinant of the amounts in chemical reactions. The experiment is…

  11. Meta-Analysis of Placental Transcriptome Data Identifies a Novel Molecular Pathway Related to Preeclampsia

    NARCIS (Netherlands)

    van Uitert, Miranda; Moerland, Perry D.; Enquobahrie, Daniel A.; Laivuori, Hannele; van der Post, Joris A. M.; Ris-Stalpers, Carrie; Afink, Gijs B.

    2015-01-01

    Studies using the placental transcriptome to identify key molecules relevant for preeclampsia are hampered by a relatively small sample size. In addition, they use a variety of bioinformatics and statistical methods, making comparison of findings challenging. To generate a more robust preeclampsia

  12. Branner-Hubbard Motions and attracting dynamics

    DEFF Research Database (Denmark)

    Petersen, Carsten Lunde; Tan, Lei

    2006-01-01

    We introduce a new notion of attracting dynamics, which is related to polynomial-like mappings. Also we review the Branner-Hubbard Motion and study its action on attracting dynamics.......We introduce a new notion of attracting dynamics, which is related to polynomial-like mappings. Also we review the Branner-Hubbard Motion and study its action on attracting dynamics....

  13. Branner-Hubbard motions and attracting dynamics

    DEFF Research Database (Denmark)

    Petersen, Carsten Lunde; Tan, Lei

    We introduce the new notion an aatracting dynamics, which is related to polynomial-likke mappings. Also we review the Branner-Hubbard motion and study its action on attracting dynamics.......We introduce the new notion an aatracting dynamics, which is related to polynomial-likke mappings. Also we review the Branner-Hubbard motion and study its action on attracting dynamics....

  14. String-like cooperative motion in homogeneous melting.

    Science.gov (United States)

    Zhang, Hao; Khalkhali, Mohammad; Liu, Qingxia; Douglas, Jack F

    2013-03-28

    Despite the fundamental nature and practical importance of melting, there is still no generally accepted theory of this ubiquitous phenomenon. Even the earliest simulations of melting of hard discs by Alder and Wainwright indicated the active role of collective atomic motion in melting and here we utilize molecular dynamics simulation to determine whether these correlated motions are similar to those found in recent studies of glass-forming (GF) liquids and other condensed, strongly interacting, particle systems. We indeed find string-like collective atomic motion in our simulations of "superheated" Ni crystals, but other observations indicate significant differences from GF liquids. For example, we observe neither stretched exponential structural relaxation, nor any decoupling phenomenon, while we do find a boson peak, findings that have strong implications for understanding the physical origin of these universal properties of GF liquids. Our simulations also provide a novel view of "homogeneous" melting in which a small concentration of interstitial defects exerts a powerful effect on the crystal stability through their initiation and propagation of collective atomic motion. These relatively rare point defects are found to propagate down the strings like solitons, driving the collective motion. Crystal integrity remains preserved when the permutational atomic motions take the form of ring-like atomic exchanges, but a topological transition occurs at higher temperatures where the rings open to form linear chains similar in geometrical form and length distribution to the strings of GF liquids. The local symmetry breaking effect of the open strings apparently destabilizes the local lattice structure and precipitates crystal melting. The crystal defects are thus not static entities under dynamic conditions, such as elevated temperatures or material loading, but rather are active agents exhibiting a rich nonlinear dynamics that is not addressed in conventional "static

  15. Molecular phylogeny and comparative morphology indicate that odontostomatids (Alveolata, Ciliophora) form a distinct class-level taxon related to Armophorea.

    Science.gov (United States)

    Fernandes, Noemi M; Vizzoni, Vinicius F; Borges, Bárbara do N; A G Soares, Carlos; Silva-Neto, Inácio D da; S Paiva, Thiago da

    2018-04-18

    The odontostomatids are among the least studied ciliates, possibly due to their small sizes, restriction to anaerobic environments and difficulty in culturing. Consequently, their phylogenetic affinities to other ciliate taxa are still poorly understood. In the present study, we analyzed newly obtained ribosomal gene sequences of the odontostomatids Discomorphella pedroeneasi and Saprodinium dentatum, together with sequences from the literature, including Epalxella antiquorum and a large assemblage of ciliate sequences representing the major recognized classes. The results show that D. pedroeneasi and S. dentatum form a deep-diverging branch related to metopid and clevelandellid armophoreans, corroborating the old literature. However E. antiquorum clustered with the morphologically discrepant plagiopylids, indicating that either the complex odontostomatid body architecture evolved convergently, or the positioning of E. antiquorum as a plagiopylid is artifactual. A new ciliate class, Odontostomatea n. cl., is proposed based on molecular analyses and comparative morphology of odontostomatids with related taxa. Copyright © 2018. Published by Elsevier Inc.

  16. Energy-related atomic and molecular structure and scattering studies. Annual progress report, July 1, 1980-June 30, 1981

    International Nuclear Information System (INIS)

    Bederson, B.

    1981-02-01

    The basic goals of this program concern the experimental determination of properties of atoms and molecules and molecular clusters that are important in a wide range of energy-related processes, in particular, measurements of polarizabilities of highly polar molecules and their polymers, and of a number of important atomic elements distributed through the periodic table, as well as of the scattering of low-energy electrons by these same systems. The most significant scientific accomplishment of the program during the past year has been the completion of measurements of the dc electric dipole polarizabilities of a number of alkali halide dimers [(KCl) 2 , (RbCl) 2 , (CsCl) 2 , (KF) 2 , and (CsF) 2 ]. An experiment was completed to measure the total cross sections for the scattering of low-energy electrons by atomic lithium, a very significant experimental test of a relatively simple, many-body system, which is amenable to elaborate computational determination

  17. Making molecular machines work

    NARCIS (Netherlands)

    Browne, Wesley R.; Feringa, Ben L.

    2006-01-01

    In this review we chart recent advances in what is at once an old and very new field of endeavour the achievement of control of motion at the molecular level including solid-state and surface-mounted rotors, and its natural progression to the development of synthetic molecular machines. Besides a

  18. Molecular Stirrers in Action

    NARCIS (Netherlands)

    Chen, Jiawen; Kistemaker, Jos C. M.; Robertus, Jort; Feringa, Ben L.

    2014-01-01

    A series of first-generation light-driven molecular motors with rigid substituents of varying length was synthesized to act as "molecular stirrers". Their rotary motion was studied by H-1 NMR and UV-vis absorption spectroscopy in a variety of solvents with different polarity and viscosity.

  19. Molecular characterization of a naturally occurring intraspecific recombinant begomovirus with close relatives widespread in southern Arabia

    KAUST Repository

    Al-Saleh, Mohammed A

    2014-06-02

    Background: Tomato leaf curl Sudan virus (ToLCSDV) is a single-stranded DNA begomovirus of tomato that causes downward leaf curl, yellowing, and stunting. Leaf curl disease results in significant yield reduction in tomato crops in the Nile Basin. ToLCSDV symptoms resemble those caused by Tomato yellow leaf curl virus, a distinct and widespread begomovirus originating in the Middle East. In this study, tomato samples exhibiting leaf curl symptoms were collected from Gezira, Sudan. The associated viral genome was molecularly characterized, analyzed phylogenetically, and an infectious clone for one isolate was constructed. Findings. The complete genomes for five newly discovered variants of ToLCSDV, ranging in size from 2765 to 2767-bp, were cloned and sequenced, and subjected to pairwise and phylogenetic analyses. Pairwise analysis indicated that the five Gezira isolates shared 97-100% nucleotide identity with each other. Further, these variants of ToLCSDV shared their highest nucleotide identity at 96-98%, 91-95%, 91-92%, and 91-92% with the Shambat, Gezira, Oman and Yemen strains of ToLCSDV, respectively. Based on the high maximum nucleotide identities shared between these ToLCSDV variants from Gezira and other previously recognized members of this taxonomic group, they are considered isolates of the Shambat strain of ToLCSDV. Analysis of the complete genome sequence for these new variants revealed that they were naturally occurring recombinants between two previously reported strains of ToLCSDV. Finally, a dimeric clone constructed from one representative ToLCSV genome from Gezira was shown to be infectious following inoculation to tomato and N. benthamiana plants. Conclusion: Five new, naturally occurring recombinant begomovirus variants (>96% shared nt identity) were identified in tomato plants from Gezira in Sudan, and shown to be isolates of the Shambat strain of ToLCSDV. The cloned viral genome was infectious in N. benthamiana and tomato plants, and symptoms

  20. LGI1, CASPR2 and related antibodies: a molecular evolution of the phenotypes

    OpenAIRE

    Binks, S; Klein, C; Waters, P; Pittock, S; Irani, SR

    2017-01-01

    Recent biochemical observations have helped redefine antigenic components within the voltage-gated potassium channel (VGKC) complex. The related autoantibodies may be now divided into likely pathogenic entities, which target the extracellular domains of leucine-rich glioma-inactivated 1 (LGI1) and contactin-associated protein 2 (CASPR2), and species that target intracellular neuronal components and are likely non-pathogenic. This distinction has enhanced clinical practice as direct determinat...

  1. Ecological niche comparison and molecular phylogeny segregate the invasive moss species Campylopus introflexus (Leucobryaceae, Bryophyta) from its closest relatives.

    Science.gov (United States)

    Gama, Renato; Aguirre-Gutiérrez, Jesús; Stech, Michael

    2017-10-01

    The delimitation of the invasive moss species Campylopus introflexus from its closest relative, Campylopus pilifer , has been long debated based on morphology. Previous molecular phylogenetic reconstructions based on the nuclear ribosomal internal transcribed spacers (ITS) 1 and 2 showed that C. pilifer is split into an Old World and a New World lineage, but remained partly inconclusive concerning the relationships between these two clades and C. introflexus . Analyses of an extended ITS dataset displayed statistically supported incongruence between ITS1 and ITS2. ITS1 separates the New World clade of C. pilifer from a clade comprising C. introflexus and the Old World C. pilifer . Ancestral state reconstruction showed that this topology is morphologically supported by differences in the height of the dorsal costal lamellae in leaf cross-section (despite some overlap). ITS2, in contrast, supports the current morphological species concept, i.e., separating C. introflexus from C. pilifer , which is morphologically supported by the orientation of the hyaline hair point at leaf apex as well as costal lamellae height. Re-analysis of published and newly generated plastid atpB-rbcL spacer sequences supported the three ITS lineages. Ecological niche modeling proved a useful approach and showed that all three molecular lineages occupy distinct environmental spaces that are similar, but undoubtedly not equivalent. In line with the ITS1 topology, the C. pilifer lineage from the New World occupies the most distinct environmental niche, whereas the niches of Old World C. pilifer and C. introflexus are very similar. Taking the inferences from ecological niche comparisons, phylogenetics, and morphology together, we conclude that all three molecular lineages represent different taxa that should be recognized as independent species, viz. C. introflexus , C. pilifer (Old World clade), and the reinstated C. lamellatus Mont. (New World clade).

  2. Intersex related gene expression profiles in clams Scrobicularia plana: Molecular markers and environmental application

    International Nuclear Information System (INIS)

    Ciocan, Corina M.; Cubero-Leon, Elena; Langston, William J.; Pope, Nick; Cornelius, Keith; Hill, E.M.; Alvarez-Munoz, Diana; Indiveri, Paolo; Lerebours, Adelaide; Minier, Christophe; Rotchell, Jeanette M.

    2015-01-01

    Highlights: • Expression of intersex-related genes was analysed in clam gonads sampled from the Channel. • Genes were differentially expressed at sites with varying levels of intersex and contaminants. • Correlations between gene expressions, key contaminants and sampling sites were identified. • No single gene expression studied correlated with intersex incidence. - Abstract: Intersex, the appearance of female characteristics in male gonads, has been identified in several aquatic species. It is a widespread phenomenon in populations of the bivalve, Scrobicularia plana, from the southwest coast of the U.K. Genes previously identified as differentially expressed (ferritin, testicular haploid expressed gene, THEG, proliferating cell nuclear antigen, PCNA; receptor activated protein kinase C, RACK; cytochrome B, CYB; and cytochrome c oxidase 1, COX1) in intersex clams relative to normal male clams, were selected for characterisation and an environmental survey of the Channel region. Transcripts were significantly differentially expressed at sites with varying intersex incidence and contaminant burdens. Significant correlations between specific gene expressions, key contaminants and sampling locations have been identified, though no single gene was associated with intersex incidence. The results highlight the difficulty in understanding the intersex phenomenon in molluscs where there is still a lack of knowledge on the control of normal reproduction

  3. ROS, Cell Senescence, and Novel Molecular Mechanisms in Aging and Age-Related Diseases

    Directory of Open Access Journals (Sweden)

    Pierpaola Davalli

    2016-01-01

    Full Text Available The aging process worsens the human body functions at multiple levels, thus causing its gradual decrease to resist stress, damage, and disease. Besides changes in gene expression and metabolic control, the aging rate has been associated with the production of high levels of Reactive Oxygen Species (ROS and/or Reactive Nitrosative Species (RNS. Specific increases of ROS level have been demonstrated as potentially critical for induction and maintenance of cell senescence process. Causal connection between ROS, aging, age-related pathologies, and cell senescence is studied intensely. Senescent cells have been proposed as a target for interventions to delay the aging and its related diseases or to improve the diseases treatment. Therapeutic interventions towards senescent cells might allow restoring the health and curing the diseases that share basal processes, rather than curing each disease in separate and symptomatic way. Here, we review observations on ROS ability of inducing cell senescence through novel mechanisms that underpin aging processes. Particular emphasis is addressed to the novel mechanisms of ROS involvement in epigenetic regulation of cell senescence and aging, with the aim to individuate specific pathways, which might promote healthy lifespan and improve aging.

  4. Attention and apparent motion.

    Science.gov (United States)

    Horowitz, T; Treisman, A

    1994-01-01

    Two dissociations between short- and long-range motion in visual search are reported. Previous research has shown parallel processing for short-range motion and apparently serial processing for long-range motion. This finding has been replicated and it has also been found that search for short-range targets can be impaired both by using bicontrast stimuli, and by prior adaptation to the target direction of motion. Neither factor impaired search in long-range motion displays. Adaptation actually facilitated search with long-range displays, which is attributed to response-level effects. A feature-integration account of apparent motion is proposed. In this theory, short-range motion depends on specialized motion feature detectors operating in parallel across the display, but subject to selective adaptation, whereas attention is needed to link successive elements when they appear at greater separations, or across opposite contrasts.

  5. Biofilm Formation and Its Relationship with the Molecular Characteristics of Food-Related Methicillin-Resistant Staphylococcus aureus (MRSA).

    Science.gov (United States)

    Vergara, Alberto; Normanno, Giovanni; Di Ciccio, Pierluigi; Pedonese, Francesca; Nuvoloni, Roberta; Parisi, Antonio; Santagada, Gianfranco; Colagiorgi, Angelo; Zanardi, Emanuela; Ghidini, Sergio; Ianieri, Adriana

    2017-10-01

    The capability to produce biofilm is an important persistence and dissemination mechanism of some foodborne bacteria. This paper investigates the relationship between some molecular characteristics (SCCmec, ST, spa-type, agr-type, cna, sarA, icaA, icaD, clfA, fnbA, fnbB, hla, hlb) of 22 food-related methicillin-resistant Staphylococcus aureus (MRSA) strains and their ability to form biofilm on stainless steel and polystyrene. Five (22.7%, 5/22) strains were able to synthesize biofilm on polystyrene, and one of these (4.5%, 1/22) strains was also able to synthesize biofilm on stainless steel. The largest amount of biofilm was formed on polystyrene by 2 MRSA strains isolated from cows' milk, thus raising concern about the dairy industry. The majority of MRSA biofilm producers carried SCCmec type IVa, suggesting that the presence of SCCmecIVa and/or agr type III could be related to the ability to form biofilm. In conclusion, in order to achieve an acceptable level of food safety, Good Hygiene Practices should be strictly implemented along the food chain to reduce the risk of colonization and dissemination of MRSA biofilm-producing strains in the food industry. In this study, some assayed isolates of food-related MRSA demonstrated the capacity to form biofilm. Biofilm formation differed according to surface characteristics and MRSA strains. A relationship was observed between some molecular characteristics and the ability to form biofilms. Few studies have investigated the ability of MRSA to form biofilms, and the majority of these studies have investigated clinical aspects. This work was performed to investigate whether or not there is a difference between MRSA food isolates and MRSA clinical isolates in their ability to form biofilm. These initial findings could provide information that will contribute to a better understanding of these aspects. © 2017 Institute of Food Technologists®.

  6. Raman study of molecular motions in relation to phase transitions in [Ni(NH3)6](NO3)2

    International Nuclear Information System (INIS)

    Janik, J.M.; Pick, R.M.; Le Postollec, M.

    1987-01-01

    A Raman band at 710 cm -1 has been used for the study of the NO 3 - ions reorientation and of the phase transitions in [Ni(NH 3 ) 6 ](NO 3 ) 2 . The strong temperature dependence of the width of this band in phase 1 gives evidence for the NO 3 - reorientations in this phase. The reorientations stop in phase 2. The same band was used for studying the phase 2/phase 3 transition. The large thermal hysteresis of this transition has ben confirmed. 16 refs., 4 figs. (author)

  7. Operator Fractional Brownian Motion and Martingale Differences

    Directory of Open Access Journals (Sweden)

    Hongshuai Dai

    2014-01-01

    Full Text Available It is well known that martingale difference sequences are very useful in applications and theory. On the other hand, the operator fractional Brownian motion as an extension of the well-known fractional Brownian motion also plays an important role in both applications and theory. In this paper, we study the relation between them. We construct an approximation sequence of operator fractional Brownian motion based on a martingale difference sequence.

  8. Relative biological effectiveness of tritiated water on cultured mammalian cells at molecular and cellular level

    International Nuclear Information System (INIS)

    Okada, S.; Sakai, K.; Nakamura, N.

    1986-01-01

    Factors that affect RBE values have been investigated in cultured cells. It was shown that: (1) Different RBE values were obtained with the same tritiated water treated cells depending upon the biological end-point; this may be related to target size. (2) The RBE value for one end-point (e.g. cell killing) in different cell types was often different. In some cells, the RBE value increased with reducing dose; in other cells, the value remained constant. (3) The RBE value for tritiated water seemed to fit a general RBE-LET relationship. These results suggest that although the RBE value might vary from 1 to 2 when cells are exposed to HTO, there are situations where the value becomes higher than 2; these are associated with low dose and low dose rate exposures in some cell types. (author)

  9. Molecular comparison of the structural proteins encoding gene clusters of two related Lactobacillus delbrueckii bacteriophages.

    Science.gov (United States)

    Vasala, A; Dupont, L; Baumann, M; Ritzenthaler, P; Alatossava, T

    1993-01-01

    Virulent phage LL-H and temperate phage mv4 are two related bacteriophages of Lactobacillus delbrueckii. The gene clusters encoding structural proteins of these two phages have been sequenced and further analyzed. Six open reading frames (ORF-1 to ORF-6) were detected. Protein sequencing and Western immunoblotting experiments confirmed that ORF-3 (g34) encoded the main capsid protein Gp34. The presence of a putative late promoter in front of the phage LL-H g34 gene was suggested by primer extension experiments. Comparative sequence analysis between phage LL-H and phage mv4 revealed striking similarities in the structure and organization of this gene cluster, suggesting that the genes encoding phage structural proteins belong to a highly conservative module. Images PMID:8497043

  10. Chromosomal islands of Streptococcus pyogenes and related streptococci: molecular switches for survival and virulence.

    Science.gov (United States)

    Nguyen, Scott V; McShan, William M

    2014-01-01

    Streptococcus pyogenes is a significant pathogen of humans, annually causing over 700,000,000 infections and 500,000 deaths. Virulence in S. pyogenes is closely linked to mobile genetic elements like phages and chromosomal islands (CI). S. pyogenes phage-like chromosomal islands (SpyCI) confer a complex mutator phenotype on their host. SpyCI integrate into the 5' end of DNA mismatch repair (MMR) gene mutL, which also disrupts downstream operon genes lmrP, ruvA, and tag. During early logarithmic growth, SpyCI excise from the bacterial chromosome and replicate as episomes, relieving the mutator phenotype. As growth slows and the cells enter stationary phase, SpyCI reintegrate into the chromosome, again silencing the MMR operon. This system creates a unique growth-dependent and reversible mutator phenotype. Additional CI using the identical attachment site in mutL have been identified in related species, including Streptococcus dysgalactiae subsp. equisimilis, Streptococcus anginosus, Streptococcus intermedius, Streptococcus parauberis, and Streptococcus canis. These CI have small genomes, which range from 13 to 20 kB, conserved integrase and DNA replication genes, and no identifiable genes encoding capsid proteins. SpyCI may employ a helper phage for packaging and dissemination in a fashion similar to the Staphylococcus aureus pathogenicity islands (SaPI). Outside of the core replication and integration genes, SpyCI and related CI show considerable diversity with the presence of many indels that may contribute to the host cell phenotype or fitness. SpyCI are a subset of a larger family of streptococcal CI who potentially regulate the expression of other host genes. The biological and phylogenetic analysis of streptococcal chromosomal islands provides important clues as to how these chromosomal islands help S. pyogenes and other streptococcal species persist in human populations in spite of antibiotic therapy and immune challenges.

  11. A systems biology pipeline identifies new immune and disease related molecular signatures and networks in human cells during microgravity exposure.

    Science.gov (United States)

    Mukhopadhyay, Sayak; Saha, Rohini; Palanisamy, Anbarasi; Ghosh, Madhurima; Biswas, Anupriya; Roy, Saheli; Pal, Arijit; Sarkar, Kathakali; Bagh, Sangram

    2016-05-17

    Microgravity is a prominent health hazard for astronauts, yet we understand little about its effect at the molecular systems level. In this study, we have integrated a set of systems-biology tools and databases and have analysed more than 8000 molecular pathways on published global gene expression datasets of human cells in microgravity. Hundreds of new pathways have been identified with statistical confidence for each dataset and despite the difference in cell types and experiments, around 100 of the new pathways are appeared common across the datasets. They are related to reduced inflammation, autoimmunity, diabetes and asthma. We have identified downregulation of NfκB pathway via Notch1 signalling as new pathway for reduced immunity in microgravity. Induction of few cancer types including liver cancer and leukaemia and increased drug response to cancer in microgravity are also found. Increase in olfactory signal transduction is also identified. Genes, based on their expression pattern, are clustered and mathematically stable clusters are identified. The network mapping of genes within a cluster indicates the plausible functional connections in microgravity. This pipeline gives a new systems level picture of human cells under microgravity, generates testable hypothesis and may help estimating risk and developing medicine for space missions.

  12. PATHOLOGICAL AND MOLECULAR GENETIC STUDIES ON SOME SOYBEAN MUTANTS INDUCED BY GAMMA RAYS IN RELATION TO CHARCOAL ROT DISEASE

    International Nuclear Information System (INIS)

    ASHRY, N.A.; EL-DEMERDASH, H.M.; ABD EL-RAHMAN, S.S.

    2008-01-01

    The Egyptian soybean cultivar Giza-22 was used to induce resistant mutants for charcoal rot disease using gamma rays. Sixteen mutants and their parental cultivar were evaluated in M3 generation for their agronomic traits and for resistance to charcoal rot disease. Four mutants showed superiority in their agronomic traits as compared with their parental cultivar. Three mutants were significantly resistant to the disease than their parental cultivar (Giza-22). These three resistant mutants showed non-significant improvement in their agronomic traits as compared with Giza-22 cultivar. DNA extractions from the three resistant mutants and their parent were used to test the differences on the molecular level. Seven random amplified polymorphic DNA (RAPD) primers were used to detect RAPD markers related to charcoal rot resistance in soybean, and to differentiate these mutants. Six RAPD-primers showed molecular markers associated with resistance to charcoal rot in soybean, where five RAPD-primers could differentiate each of the three mutants from each other and from their parental cultivar

  13. A systems biology pipeline identifies new immune and disease related molecular signatures and networks in human cells during microgravity exposure

    Science.gov (United States)

    Mukhopadhyay, Sayak; Saha, Rohini; Palanisamy, Anbarasi; Ghosh, Madhurima; Biswas, Anupriya; Roy, Saheli; Pal, Arijit; Sarkar, Kathakali; Bagh, Sangram

    2016-05-01

    Microgravity is a prominent health hazard for astronauts, yet we understand little about its effect at the molecular systems level. In this study, we have integrated a set of systems-biology tools and databases and have analysed more than 8000 molecular pathways on published global gene expression datasets of human cells in microgravity. Hundreds of new pathways have been identified with statistical confidence for each dataset and despite the difference in cell types and experiments, around 100 of the new pathways are appeared common across the datasets. They are related to reduced inflammation, autoimmunity, diabetes and asthma. We have identified downregulation of NfκB pathway via Notch1 signalling as new pathway for reduced immunity in microgravity. Induction of few cancer types including liver cancer and leukaemia and increased drug response to cancer in microgravity are also found. Increase in olfactory signal transduction is also identified. Genes, based on their expression pattern, are clustered and mathematically stable clusters are identified. The network mapping of genes within a cluster indicates the plausible functional connections in microgravity. This pipeline gives a new systems level picture of human cells under microgravity, generates testable hypothesis and may help estimating risk and developing medicine for space missions.

  14. The energy and stability of helium-related cluster in nickel: A study of molecular dynamics simulation

    Energy Technology Data Exchange (ETDEWEB)

    Gong, Hengfeng, E-mail: gonghengfeng@sinap.ac.cn [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Division of Nuclear Materials and Engineering, Shanghai 201800 (China); Key Laboratory of Interfacial Physics and Technology, Chinese Academy of Sciences, Shanghai 201800 (China); Wang, Chengbin; Zhang, Wei; Xu, Jian [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Division of Nuclear Materials and Engineering, Shanghai 201800 (China); Key Laboratory of Interfacial Physics and Technology, Chinese Academy of Sciences, Shanghai 201800 (China); Huai, Ping, E-mail: huaiping@sinap.ac.cn [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Division of Nuclear Materials and Engineering, Shanghai 201800 (China); Key Laboratory of Nuclear Radiation and Nuclear Energy Technology, Chinese Academy of Sciences, Shanghai 201800 (China); Deng, Huiqiu; Hu, Wangyu [Hunan University, Department of Applied Physics, Changsha 410082 (China)

    2016-02-01

    Highlights: • The He-related clusters exhibit the very high symmetry. • The trapping capability of vacancy to defects becomes weak due to the pre-existed SIA. • The average length of He{sub N}V{sub 1} clusters is longer than one of He{sub N} and He{sub N}V{sub 1}SIA{sub 1} cluster. - Abstract: Using molecular dynamics simulation, we investigated the energy and stability of helium-related cluster in nickel. All the binding energies of the He-related clusters are demonstrated to be positive and increase with the cluster sizes. Due to the pre-existed self-interstitial nickel atom, the trapping capability of vacancy to defects becomes weak. Besides, the minimum energy configurations of He-related clusters exhibit the very high symmetry in the local atomistic environment. And for the He{sub N} and He{sub N}V{sub 1}SIA{sub 1} clusters, the average length of He–He bonds shortens, but it elongates for the He{sub N}V{sub 1} clusters with helium cluster sizes. The helium-to-vacancy ratio plays a decisive role on the binding energies of He{sub N}V{sub M} cluster. These results can provide some excellent clues to insight the initial stage of helium bubbles nucleation and growth in the Ni-based alloys for the Generation-IV Molten Salt Reactor.

  15. Objects in Motion

    Science.gov (United States)

    Damonte, Kathleen

    2004-01-01

    One thing scientists study is how objects move. A famous scientist named Sir Isaac Newton (1642-1727) spent a lot of time observing objects in motion and came up with three laws that describe how things move. This explanation only deals with the first of his three laws of motion. Newton's First Law of Motion says that moving objects will continue…

  16. Motion compensated digital tomosynthesis

    NARCIS (Netherlands)

    van der Reijden, Anneke; van Herk, Marcel; Sonke, Jan-Jakob

    2013-01-01

    Digital tomosynthesis (DTS) is a limited angle image reconstruction method for cone beam projections that offers patient surveillance capabilities during VMAT based SBRT delivery. Motion compensation (MC) has the potential to mitigate motion artifacts caused by respiratory motion, such as blur. The

  17. Fundamento molecular de la esteatosis hepática asociada a la obesidad Molecular basis of obesity-related hepatic steatosis

    Directory of Open Access Journals (Sweden)

    X. Buqué

    2008-09-01

    Full Text Available La enfermedad del hígado graso no alcohólico es una enfermedad inflamatoria hepática de carácter crónico de gran relevancia en la actualidad por su fuerte asociación con enfermedades de incidencia creciente como la obesidad y la diabetes mellitus tipo 2. En este trabajo se recoge buena parte del conocimiento existente sobre los mecanismos moleculares implicados en el establecimiento de la esteatosis hepática, el primer estadio de la enfermedad, y en su progreso a esteatohepatitis. Se ha prestado una atención especial al hígado graso asociado a la obesidad, clínica y experimental. En este caso, se valora la rata fa/fa, un modelo animal de obesidad con rasgos fenotípicos similares a los de la obesidad humana, incluyendo la resistencia a la insulina y la dislipemia. La esteatosis hepática se revela como una situación compleja, eminentemente metabólica, en la que se simultanean procesos metabólicos aparentemente contradictorios, así como estrés oxidativo, estrés de retículo endoplasmático, disfunción mitocondrial y descenso en la expresión de genes de supervivencia. En buena medida, en su base se sitúan señales extrahepáticas, como las producidas en una situación de resistencia periférica a la insulina asociada a un aumento de la masa adiposa y de ácidos grasos libres sistémicos, e internas, causantes de un desajuste de las funciones glucostática y lipidostática del hígado y de una mayor vulnerabilidad a otras agresiones.Non-alcoholic fatty liver disease is a chronic inflammation liver condition that is currently highly relevant because of its strong association with increasingly incident diseases such as obesity and type-2 diabetes mellitus. The primary purpose of this paper is to discuss the best part of current knowledge on the molecular mechanisms involved in hepatic steatosis development, the condition's initial stage, and on progression to steatohepatitis. Special attention has been paid to clinical and

  18. Molecular basis of processing-induced changes in protein structure in relation to intestinal digestion in yellow and green type pea (Pisum sativum L.): A molecular spectroscopic analysis.

    Science.gov (United States)

    Yu, Gloria Qingyu; Warkentin, Tom; Niu, Zhiyuan; Khan, Nazir A; Yu, Peiqiang

    2015-12-05

    The objectives of this study were (1) to quantify the protein inherent molecular structural features of green cotyledon (CDC Striker) and yellow cotyledon (CDC Meadow) pea (Pisum sativum L.) seeds using molecular spectroscopic technique (FT/IR-ATR); (2) measure the denaturation of protein molecular makeup in the two types of pea during dry roasting (120°C for 60 min), autoclaving (120°C for 60 min) or microwaving (for 5 min); and (3) correlate the heat-induced changes in protein molecular makeup to the corresponding changes in protein digestibility determined using modified three-step in vitro procedure. Compared with yellow-type, the green-type peas had higher (Pprotein content. Compared with yellow-type, the green-type peas had lower (Pprotein secondary structure makeup. All processing applications increased α-helix:β-sheet ratio, with the largest (Pprotein within the green (r=-0. 86) and yellow (r=0.81) pea-types. However, across the pea types the correlation was not significant. Principal component and hierarchical cluster analyses on the entire spectral data from the amide region (ca. 1727-1480 cm(-1)) were able to visualize and discriminate the structural difference between pea varieties and processing treatments. This study shows that the molecular spectroscopy can be used as a rapid tool to screen the protein value of raw and heat-treated peas. Copyright © 2015 Elsevier B.V. All rights reserved.

  19. Molecular Phylogenetic Screening of Withania somnifera Relative From Indonesia Based on Internal Transcribed Spacer Region

    Directory of Open Access Journals (Sweden)

    Topik Hidayat

    2016-04-01

    Full Text Available Withania somnifera (family Solanaceae, known commonly as Ashwaganda, is one of the important medicinal plants, and recent studies reported that Withanone, one of the chemical components in this plant, has ability to kill cancer cell. Because of endemic state of this plant to South Asia, exploring plant species under the same family which grow well in Indonesia has been of interest. The purpose of this study was to screen the Indonesian plant which has strong phylogenetic relationship with Ashwaganda. Thus, phylogenetic analysis using DNA sequences of internal transcribed spacer (ITS region was conducted. Thus, 19 species of Solanaceae and two species of Convolvulaceae as outgroup were examined. Five ITS regions of Ashwaganda retrieved from GenBank were included in the phylogenetic analysis. Parsimony analysis showed that Indonesia Solanaceae comprises seven groups which is consistent with the global Solanaceae relationship as previously reported. Furthermore, our study revealed that two species, Physalis angulata and Physalis peruviana, are relative to W. somnifera. Morphologically, they share characters of flower and fruit. This result indicated that these two species are potential to have similar chemical properties as Ashwaganda, thus we can have new variants of Withanone originated from Indonesia with similar effect.

  20. Remarks on the motion of macroscopic and microscopic spinning particles in relativity; Remarques sur le mouvement des particules a spin macroscopiques et microscopiques en relativite

    Energy Technology Data Exchange (ETDEWEB)

    Micoulaut, R [Commissariat a l' Energie Atomique, Limeil-Brevannes (France). Centre d' Etudes

    1968-07-01

    The Papapetrou equations of motion of a spinning particle do not allow the unequivocal determination of the world-line described by the particle. The motion should be completely determined in adding a supplementary condition. For macroscopic particles, characterized by the conditions of Corinaldesi-Papapetrou and Tulczyjew, moving in a Schwarzschild field we obtain additional term in the expression for the advance of perihelion. For microscopic particles we summarize the results obtained using the conditions of Weyssenhoff, Nakano, Hoenl-Papapetrou and Wessel. (author) [French] Les equations de Papapetrou decrivant le mouvement d'une particule a spin ne permettent pas de fixer de maniere univoque la ligne d'univers que parcourt la particule. Le mouvement sera completement determine en imposant une condition supplementaire arbitraire. Pour des particules macroscopiques, caracterisees par les conditions de Corinaldesi-Papapetrou et Tulczyjew, se deplacant dans un champ de Schwarzschild on obtient un terme supplementaire dans l'expression de l'avance du perihelie. Pour les particules microscopiques on rappellera rapidement les resultats obtenus en utilisant les conditions simples de Weyssenhoff, Nakano, Hoenl-Papapetrou et Wessel. (auteur)

  1. Infrasonic induced ground motions

    Science.gov (United States)

    Lin, Ting-Li

    On January 28, 2004, the CERI seismic network recorded seismic signals generated by an unknown source. Our conclusion is that the acoustic waves were initiated by an explosive source near the ground surface. The meteorological temperature and effective sound speed profiles suggested existence of an efficient near-surface waveguide that allowed the acoustic disturbance to propagate to large distances. An explosion occurring in an area of forest and farms would have limited the number of eyewitnesses. Resolution of the source might be possible by experiment or by detailed analysis of the ground motion data. A seismo-acoustic array was built to investigate thunder-induced ground motions. Two thunder events with similar N-wave waveforms but different horizontal slownesses are chosen to evaluate the credibility of using thunder as a seismic source. These impulsive acoustic waves excited P and S reverberations in the near surface that depend on both the incident wave horizontal slowness and the velocity structure in the upper 30 meters. Nineteen thunder events were chosen to further investigate the seismo-acoustic coupling. The consistent incident slowness differences between acoustic pressure and ground motions suggest that ground reverberations were first initiated somewhat away from the array. Acoustic and seismic signals were used to generate the time-domain transfer function through the deconvolution technique. Possible non-linear interaction for acoustic propagation into the soil at the surface was observed. The reverse radial initial motions suggest a low Poisson's ratio for the near-surface layer. The acoustic-to-seismic transfer functions show a consistent reverberation series of the Rayleigh wave type, which has a systematic dispersion relation to incident slownesses inferred from the seismic ground velocity. Air-coupled Rayleigh wave dispersion was used to quantitatively constrain the near-surface site structure with constraints afforded by near-surface body

  2. Energy-related atomic and molecular structure and scattering studies. Annual report, June 1, 1985-May 31, 1986

    International Nuclear Information System (INIS)

    Bederson, B.

    1986-01-01

    This is the Annual Report for the period June 1, 1985 to May 31, 1986 for ''Energy-Related Atomic and Molecular Structure and Scattering Studies''. During the past year our efforts were concentrated on two specific experiments. These were (1) an attempt to measure the polarizability of the optically pumped excited state of thallium 6s6p 2 P/sub 3/2/, including its tensor components, and (2) a study of the differential scattering at small angles of electrons at low energies by several alkali halide molecules. In the thallium experiment we have performed some preliminary measurements, although we have temporarily discontinued these in order to update the beams machine upon which this experiment is being performed. 13 refs., 16 figs

  3. Susceptible genes and molecular pathways related to heavy ion irradiation in oral squamous cell carcinoma cells

    International Nuclear Information System (INIS)

    Fushimi, Kazuaki; Uzawa, Katsuhiro; Ishigami, Takashi; Yamamoto, Nobuharu; Kawata, Tetsuya; Shibahara, Takahiko; Ito, Hisao; Mizoe, Jun-etsu; Tsujii, Hirohiko; Tanzawa, Hideki

    2008-01-01

    Background and purpose: Heavy ion beams are high linear energy transfer (LET) radiation characterized by a higher relative biologic effectiveness than low LET radiation. The aim of the current study was to determine the difference of gene expression between heavy ion beams and X-rays in oral squamous cell carcinoma (OSCC)-derived cells. Materials and methods: The OSCC cells were irradiated with accelerated carbon or neon ion irradiation or X-rays using three different doses. We sought to identify genes the expression of which is affected by carbon and neon ion irradiation using Affymetrix GeneChip analysis. The identified genes were analyzed using the Ingenuity Pathway Analysis Tool to investigate the functional network and gene ontology. Changes in mRNA expression in the genes were assessed by real-time quantitative reverse transcriptase-polymerase chain reaction (qRT-PCR). Results: The microarray analysis identified 84 genes that were modulated by carbon and neon ion irradiation at all doses in OSCC cells. Among the genes, three genes (TGFBR2, SMURF2, and BMP7) and two genes (CCND1 and E2F3), respectively, were found to be involved in the transforming growth factor β-signaling pathway and cell cycle:G1/S checkpoint regulation pathway. The qRT-PCR data from the five genes after heavy ion irradiation were consistent with the microarray data (P < 0.01). Conclusion: Our findings should serve as a basis for global characterization of radiation-regulated genes and pathways in heavy ion-irradiated OSCC

  4. Inventorying the molecular potential of Cupriavidus and Ralstonia strains surviving harsh space-related environments

    Science.gov (United States)

    Mijnendonckx, Kristel; van Houdt, Rob; Provoost, Ann; Bossus, Albert; Ott, C. Mark; Venkateswaran, Kasthuri; Leys, Natalie

    The craving of modern man to explore life beyond earth presents a lot of challenges. The control of microbial contamination of the confined manned spacecraft is an important aspect that has to be taken into account in this journey. Because the human body contains a huge amount of microorganisms, the crew itself is the most important contamination source. But contamination can also originate from residing environmental microorganisms or from materials that are supplied from the Earth. These microbial contaminations can cause problems for the astronauts -well documented to have a decreased immunity -and the infrastructure of the space station. In this study, 14 different Cupriavidus metallidurans and Ralstonia pickettii strains, isolated from such space-related environments, where characterised in detail. These unique strains were isolated from drinking water that returned from ISS (3), from the cooling water system of the American ISS segment (4), from a swab sample of the Mars Odyssey Orbitor surface prior to flight (4), and from an air sample taken in the space assembly facility PHSF during Mars exploration Rover assembly (3). Their resistance to heavy metals and antibiotics was screened. The C. metallidurans isolates were more resistant to Zn2+ and Hg+ but more sensitive to Ni2+ than the R. pickettii strains. The MIC values for Cu2+ ranged from 1,5mM to 12mM, for Co2+ from 1,58mM to 12,63mM and for Cd2+ from 0,25mM to 1mM. For Ni2+ , the MIC values were between 2 and 8mM, except for the strain C. metallidurans IV (0502478) that was able to grow on Ni+2 concentrations up to 48mM. A metal of special interest was Ag+ because it is used to sanitize ISS drinking water. The strains isolated from air and surface samples showed a MIC value ranging from 0,35µM to 4µM. The isolates from the water samples had MIC values from 0,3µM to 2µM, which is lower than (or comparable with) the lowest limit of the silver concentration used in the ISS (1,9µM -4,6µM). However, all

  5. Modification of Time-dependent Schrodinger Equation in Quantum Mechanics by Adding Derivations of Time's Flow (Relative Time) with Respect of the Both Space and Time Based on the ``Substantial Motion'' Theory of Iranian Philosopher; Mulla Sadra

    Science.gov (United States)

    Gholibeigian, Hassan; Gholibeigian, Kazem

    2016-03-01

    In Sadra's theory, the relative time for an atom (body) which is varying continuously becomes momentums of its involved fundamental particles (strings), (time's relativity) [Gholibeigian, APS March Meeting 2015, abstract #V1.023]. Einstein's theory of special relativity might be special form of Sadra's theory. ``The nature has two magnitudes and two elongations, the one is gradual being (wavy-like motion) which belongs to the time and dividable to the former and the next times in mind, and the other is jerky-like motion which belongs to the space and dividable to the former and the next places'' [Asfar, Mulla Sadra, (1571/2-1640)]. Sadra separated the nature of time from nature of space. Therefore we can match these two natures on wave-particle duality. It means that the nature of time might be wavy-like and the nature of space might be jerky-like. So, there are two independent variable sources for particle(s)' flow with respect of its two natures such as potential of flow and relative time which vary with respect of both space and time. Consequently we propose two additional parts to Schrodinger's equation: H⌢ Ψ +tp ∇t' = ih/2 π ∂/∂t Ψ +tp∂/∂t t' , where tp is Planck's time and t' is relative time: t' = f (m , v , t) = t +/- Δt , in which t is time, m is mass and vis speed of particle . AmirKabir University of Technology, Tehran, Iran.

  6. Perceptually Uniform Motion Space.

    Science.gov (United States)

    Birkeland, Asmund; Turkay, Cagatay; Viola, Ivan

    2014-11-01

    Flow data is often visualized by animated particles inserted into a flow field. The velocity of a particle on the screen is typically linearly scaled by the velocities in the data. However, the perception of velocity magnitude in animated particles is not necessarily linear. We present a study on how different parameters affect relative motion perception. We have investigated the impact of four parameters. The parameters consist of speed multiplier, direction, contrast type and the global velocity scale. In addition, we investigated if multiple motion cues, and point distribution, affect the speed estimation. Several studies were executed to investigate the impact of each parameter. In the initial results, we noticed trends in scale and multiplier. Using the trends for the significant parameters, we designed a compensation model, which adjusts the particle speed to compensate for the effect of the parameters. We then performed a second study to investigate the performance of the compensation model. From the second study we detected a constant estimation error, which we adjusted for in the last study. In addition, we connect our work to established theories in psychophysics by comparing our model to a model based on Stevens' Power Law.

  7. Molecular characterization of a new Babesia bovis thrombospondin-related anonymous protein (BbTRAP2.

    Directory of Open Access Journals (Sweden)

    Mohamad Alaa Terkawi

    Full Text Available A gene encoding a Babesia bovis protein that shares significant degree of similarity to other apicomplexan thrombospondin-related anonymous proteins (TRAPs was found in the genomic database and designated as BbTRAP2. Recombinant protein containing a conserved region of BbTRAP2 was produced in E. coli. A high antigenicity of recombinant BbTRAP2 (rBbTRAP2 was observed with field B. bovis-infected bovine sera collected from geographically different regions of the world. Moreover, antiserum against rBbTRAP2 specifically reacted with the authentic protein by Western blot analysis and an indirect fluorescent antibody test. Three bands corresponding to 104-, 76-, and 44-kDa proteins were identified in the parasite lysates and two bands of 76- and 44-kDa proteins were detected in the supernatant of cultivated parasites, indicating that BbTRAP2 was proteolytically processed and shed into the culture. Apical and surface localizations of BbTRAP2 were observed in the intracellular and extracellular parasites, respectively, by confocal laser microscopic examination. Moreover, native BbTRAP2 was precipitated by bovine erythrocytes, suggesting its role in the attachment to erythrocytes. Furthermore, the specific antibody to rBbTRAP2 inhibited the growth of B. bovis in a concentration-dependent manner. Consistently, pre-incubation of the free merozoites with the antibody to rBbTRAP2 resulted in an inhibition of the parasite invasion into host erythrocytes. Interestingly, the antibody to rBbTRAP2 was the most inhibitive for the parasite's growth as compared to those of a set of antisera produced against different recombinant proteins, including merozoite surface antigen 2c (BbMSA-2c, rhoptry-associated protein 1 C-terminal (BbRAP-1CT, and spherical body protein 1 (BbSBP-1. These results suggest that BbTRAP2 might be a potential candidate for development of a subunit vaccine against B. bovis infection.

  8. Rolling Shutter Motion Deblurring

    KAUST Repository

    Su, Shuochen

    2015-06-07

    Although motion blur and rolling shutter deformations are closely coupled artifacts in images taken with CMOS image sensors, the two phenomena have so far mostly been treated separately, with deblurring algorithms being unable to handle rolling shutter wobble, and rolling shutter algorithms being incapable of dealing with motion blur. We propose an approach that delivers sharp and undis torted output given a single rolling shutter motion blurred image. The key to achieving this is a global modeling of the camera motion trajectory, which enables each scanline of the image to be deblurred with the corresponding motion segment. We show the results of the proposed framework through experiments on synthetic and real data.

  9. Smoothing Motion Estimates for Radar Motion Compensation.

    Energy Technology Data Exchange (ETDEWEB)

    Doerry, Armin W. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2017-07-01

    Simple motion models for complex motion environments are often not adequate for keeping radar data coherent. Eve n perfect motion samples appli ed to imperfect models may lead to interim calculations e xhibiting errors that lead to degraded processing results. Herein we discuss a specific i ssue involving calculating motion for groups of pulses, with measurements only available at pulse-group boundaries. - 4 - Acknowledgements This report was funded by General A tomics Aeronautical Systems, Inc. (GA-ASI) Mission Systems under Cooperative Re search and Development Agre ement (CRADA) SC08/01749 between Sandia National Laboratories and GA-ASI. General Atomics Aeronautical Systems, Inc. (GA-ASI), an affilia te of privately-held General Atomics, is a leading manufacturer of Remotely Piloted Aircraft (RPA) systems, radars, and electro-optic and rel ated mission systems, includin g the Predator(r)/Gray Eagle(r)-series and Lynx(r) Multi-mode Radar.

  10. Edge dependent motion blur reduction

    NARCIS (Netherlands)

    2010-01-01

    The invention relates to a method and a circuit arrangement to reduce motion blur of images shown in non-stroboscopic display devices, in particular Liquid Crystal Display Panels (LCDs). Thin Film Transistor Displays (TFTs), Color Sequential Displays. Plasma Display Panels (PDPs), Digital Micro

  11. Curves from Motion, Motion from Curves

    Science.gov (United States)

    2000-01-01

    De linearum curvarum cum lineis rectis comparatione dissertatio geometrica - an appendix to a treatise by de Lalouv~re (this was the only publication... correct solution to the problem of motion in the gravity of a permeable rotating Earth, considered by Torricelli (see §3). If the Earth is a homogeneous...in 1686, which contains the correct solution as part of a remarkably comprehensive theory of orbital motions under centripetal forces. It is a

  12. The relation between the column density structures and the magnetic field orientation in the Vela C molecular complex

    Science.gov (United States)

    Soler, J. D.; Ade, P. A. R.; Angilè, F. E.; Ashton, P.; Benton, S. J.; Devlin, M. J.; Dober, B.; Fissel, L. M.; Fukui, Y.; Galitzki, N.; Gandilo, N. N.; Hennebelle, P.; Klein, J.; Li, Z.-Y.; Korotkov, A. L.; Martin, P. G.; Matthews, T. G.; Moncelsi, L.; Netterfield, C. B.; Novak, G.; Pascale, E.; Poidevin, F.; Santos, F. P.; Savini, G.; Scott, D.; Shariff, J. A.; Thomas, N. E.; Tucker, C. E.; Tucker, G. S.; Ward-Thompson, D.

    2017-07-01

    We statistically evaluated the relative orientation between gas column density structures, inferred from Herschel submillimetre observations, and the magnetic field projected on the plane of sky, inferred from polarized thermal emission of Galactic dust observed by the Balloon-borne Large-Aperture Submillimetre Telescope for Polarimetry (BLASTPol) at 250, 350, and 500 μm, towards the Vela C molecular complex. First, we find very good agreement between the polarization orientations in the three wavelength-bands, suggesting that, at the considered common angular resolution of 3.´0 that corresponds to a physical scale of approximately 0.61 pc, the inferred magnetic field orientation is not significantly affected by temperature or dust grain alignment effects. Second, we find that the relative orientation between gas column density structures and the magnetic field changes progressively with increasing gas column density, from mostly parallel or having no preferred orientation at low column densities to mostly perpendicular at the highest column densities. This observation is in agreement with previous studies by the Planck collaboration towards more nearby molecular clouds. Finally, we find a correspondencebetween (a) the trends in relative orientation between the column density structures and the projected magnetic field; and (b) the shape of the column density probability distribution functions (PDFs). In the sub-regions of Vela C dominated by one clear filamentary structure, or "ridges", where the high-column density tails of the PDFs are flatter, we find a sharp transition from preferentially parallel or having no preferred relative orientation at low column densities to preferentially perpendicular at highest column densities. In the sub-regions of Vela C dominated by several filamentary structures with multiple orientations, or "nests", where the maximum values of the column density are smaller than in the ridge-like sub-regions and the high-column density

  13. Modification of Schrodinger Equation in Quantum Mechanics by Adding Derivations of Time's Flow (Relative Time) with Respect of the Both Space and Time Based on the ``Substantial Motion'' Theory of Iranian Philosopher; Mulla Sadra

    Science.gov (United States)

    Gholibeigian, Hassan; Amirshahkarami, Abdolazim; Gholibeigian, Kazem

    2016-05-01

    ``The nature has two magnitudes and two elongations, one is gradual being (wavy-like motion) which belongs to the time and dividable to the former and the next times in mind, and the other one is jerky-like motion which belongs to the space and dividable to the former and the next places'' [Asfar, Mulla Sadra, (1571/2-1640)]. These two separated natures of space-time are matched on wave-particle duality. Therefore, the nature of time can be wavy-like and the nature of space can be jerky-like. So, there are two independent variable sources of particle(s)' flow while they are match exactly with each other. These two sources are potential of flow and potential of time (relative time) which vary with respect to both space and time. Here, we propose two additional parts to Schrodinger's equation with respect to relative time: HΨ + ∇t' = EΨ + ∂t' / ∂t , where t is time and t' is relative time: t' = t +/- Δt [Gholibeigian et al., APS March Meeting 2016], which for each atom becomes: tatom = ∑mnucleons + ∑melectrons where m is momentum [Gholibeigian, APS March Meeting 2015, abstract #V1.023]. Using time's relativity in Schrodinger equation will give us more precious results. AmirKabir University of Technology,Tehran, Iran.

  14. Compensation for incoherent ground motion

    International Nuclear Information System (INIS)

    Shigeru, Takeda; Hiroshi, Matsumoto; Masakazu, Yoshioka; Yasunori, Takeuchi; Kikuo, Kudo; Tsuneya, Tsubokawa; Mitsuaki, Nozaki; Kiyotomo, Kawagoe

    1999-01-01

    The power spectrum density and coherence function for ground motions are studied for the construction of the next generation electron-positron linear collider. It should provide a center of mass energy between 500 GeV-1 TeV with luminosity as high as 10 33 to 10 34 cm -2 sec -1 . Since the linear collider has a relatively slow repetition rate, large number of particles and small sizes of the beam should be generated and preserved in the machine to obtain the required high luminosity. One of the most critical parameters is the extremely small vertical beam size at the interaction point, thus a proper alignment system for the focusing and accelerating elements of the machine is necessary to achieve the luminosity. We describe recent observed incoherent ground motions and an alignment system to compensate the distortion by the ground motions. (authors)

  15. Restoration of motion blurred images

    Science.gov (United States)

    Gaxiola, Leopoldo N.; Juarez-Salazar, Rigoberto; Diaz-Ramirez, Victor H.

    2017-08-01

    Image restoration is a classic problem in image processing. Image degradations can occur due to several reasons, for instance, imperfections of imaging systems, quantization errors, atmospheric turbulence, relative motion between camera or objects, among others. Motion blur is a typical degradation in dynamic imaging systems. In this work, we present a method to estimate the parameters of linear motion blur degradation from a captured blurred image. The proposed method is based on analyzing the frequency spectrum of a captured image in order to firstly estimate the degradation parameters, and then, to restore the image with a linear filter. The performance of the proposed method is evaluated by processing synthetic and real-life images. The obtained results are characterized in terms of accuracy of image restoration given by an objective criterion.

  16. Control of the motion of the body's center of mass in relation to the center of pressure during high-heeled gait.

    Science.gov (United States)

    Chien, Hui-Lien; Lu, Tung-Wu; Liu, Ming-Wei

    2013-07-01

    High-heeled shoes are associated with instability and falling, leading to injuries such as fracture and ankle sprain. Knowledge of the motion of the body's center of mass (COM) with respect to the center of pressure (COP) during high-heeled gait may offer insights into the balance control strategies and provide a basis for approaches that minimize the risk of falling and associated adverse effects. The study aimed to investigate the influence of the base and height of the heels on the COM motion in terms of COM-COP inclination angles (IA) and the rate of change of IA (RCIA). Fifteen females who regularly wear high heels walked barefoot and with narrow-heeled shoes with three heel heights (3.9cm, 6.3cm and 7.3cm) while kinematic and ground reaction force data were measured and used to calculate the COM and COP, as well as the temporal-distance parameters. The reduced base of the heels was found to be the primary factor for the reduced normalized walking speed and the reduced frontal IA throughout the gait cycle. This was achieved mainly through the control of the RCIA during double-leg stance (DLS). The heel heights affected mainly the peak RCIA during DLS, which were not big enough to affect the IA. These results suggest young adults adopt a conservative strategy for balance control during narrow-heeled gait. The results will serve as baseline data for future evaluation of patients and/or older adults during narrow-heeled gait with the aim of reducing the risk of falling. Copyright © 2012 Elsevier B.V. All rights reserved.

  17. Project Physics Tests 1, Concepts of Motion.

    Science.gov (United States)

    Harvard Univ., Cambridge, MA. Harvard Project Physics.

    Test items relating to Project Physics Unit 1 are presented in this booklet, consisting of 70 multiple-choice and 20 problem-and-essay questions. Concepts of motion are examined with respect to velocities, acceleration, forces, vectors, Newton's laws, and circular motion. Suggestions are made for time consumption in answering some items. Besides…

  18. Transport mechanisms and wetting dynamics in molecularly thin films of long-chain alkanes at solid/vapour interface : relation to the solid-liquid phase transition

    OpenAIRE

    Lazar, Paul

    2005-01-01

    Wetting and phase transitions play a very important role our daily life. Molecularly thin films of long-chain alkanes at solid/vapour interfaces (e.g. C30H62 on silicon wafers) are very good model systems for studying the relation between wetting behaviour and (bulk) phase transitions. Immediately above the bulk melting temperature the alkanes wet partially the surface (drops). In this temperature range the substrate surface is covered with a molecularly thin ordered, solid-like alkane film (...

  19. Molecular diffusion in monolayer and submonolayer nitrogen

    DEFF Research Database (Denmark)

    Hansen, Flemming Yssing; Bruch, Ludwig Walter

    2001-01-01

    The orientational and translational motions in a monolayer fluid of physisorbed molecular nitrogen are treated using molecular dynamics simulations. Dynamical response functions and several approximations to the coefficient of translational diffusion are determined for adsorption on the basal plane...

  20. Evidence-based efficacy of adaptogens in fatigue, and molecular mechanisms related to their stress-protective activity.

    Science.gov (United States)

    Panossian, Alexander; Wikman, Georg

    2009-09-01

    The aim of this review article is to assess the level of scientific evidence presented by clinical trials of adaptogens in fatigue, and to provide a rationale at the molecular level for verified effects. Strong scientific evidence is available for Rhodiola rosea SHR-5 extract, which improved attention, cognitive function and mental performance in fatigue and in chronic fatigue syndrome. Good scientific evidence has been documented in trails in which Schisandra chinensis and Eleutherococcus senticosus increased endurance and mental performance in patients with mild fatigue and weakness. Based on their efficacy in clinical studies, adaptogens can be defined as a pharmacological group of herbal preparations that increase tolerance to mental exhaustion and enhance attention and mental endurance in situations of decreased performance. The beneficial stress-protective effect of adaptogens is related to regulation of homeostasis via several mechanisms of action associated with the hypothalamic-pituitary-adrenal axis and the control of key mediators of stress response such as molecular chaperons (e.g. Hsp70), stress-activated c-Jun N-terminal protein kinase (JNK1), Forkhead Box O transcription factor DAF-16, cortisol and nitric oxide (NO). The key point of action of phytoadaptogens appears to be their up-regulating and stress-mimetic effects on the "stress-sensor" protein Hsp70, which plays an important role in cell survival and apoptosis. Hsp70 inhibits the expression of NO synthase II gene and interacts with glucocorticoid receptors directly and via the JNK pathway, thus affecting the levels of circulating cortisol and NO. Prevention of stress-induced increase in NO, and the associated decrease in ATP production, results in increased performance and endurance. Adaptogen-induced up-regulation of Hsp70 triggers stress-induced JNK-1 and DAF-16-mediated pathways regulating the resistance to stress and resulting in enhanced mental and physical performance and, possibly

  1. 28 CFR 68.11 - Motions and requests.

    Science.gov (United States)

    2010-07-01

    ... ALIENS, UNFAIR IMMIGRATION-RELATED EMPLOYMENT PRACTICES, AND DOCUMENT FRAUD § 68.11 Motions and requests... be given reasonable opportunity to respond or to object to the motion or request. (b) Responses to...

  2. Phonon assisted thermophoretic motion of gold nanoparticles inside carbon nanotubes

    DEFF Research Database (Denmark)

    Schoen, Philipp A.E.; Walther, Jens Honore; Poulikakos, Dimos

    2007-01-01

    The authors investigate the thermally driven mass transport of gold nanoparticles confined inside carbon nanotubes using molecular dynamics simulations. The observed thermophoretic motion of the gold nanoparticles correlates with the phonon dispersion exhibited by a standard carbon nanotube and...

  3. Expression of Tau Pathology-Related Proteins in Different Brain Regions: A Molecular Basis of Tau Pathogenesis.

    Science.gov (United States)

    Hu, Wen; Wu, Feng; Zhang, Yanchong; Gong, Cheng-Xin; Iqbal, Khalid; Liu, Fei

    2017-01-01

    Microtubule-associated protein tau is hyperphosphorylated and aggregated in affected neurons in Alzheimer disease (AD) brains. The tau pathology starts from the entorhinal cortex (EC), spreads to the hippocampus and frontal and temporal cortices, and finally to all isocortex areas, but the cerebellum is spared from tau lesions. The molecular basis of differential vulnerability of different brain regions to tau pathology is not understood. In the present study, we analyzed brain regional expressions of tau and tau pathology-related proteins. We found that tau was hyperphosphorylated at multiple sites in the frontal cortex (FC), but not in the cerebellum, from AD brain. The level of tau expression in the cerebellum was about 1/4 of that seen in the frontal and temporal cortices in human brain. In the rat brain, the expression level of tau with three microtubule-binding repeats (3R-tau) was comparable in the hippocampus, EC, FC, parietal-temporal cortex (PTC), occipital-temporal cortex (OTC), striatum, thalamus, olfactory bulb (OB) and cerebellum. However, the expression level of 4R-tau was the highest in the EC and the lowest in the cerebellum. Tau phosphatases, kinases, microtubule-related proteins and other tau pathology-related proteins were also expressed in a region-specific manner in the rat brain. These results suggest that higher levels of tau and tau kinases in the EC and low levels of these proteins in the cerebellum may accounts for the vulnerability and resistance of these representative brain regions to the development of tau pathology, respectively. The present study provides the regional expression profiles of tau and tau pathology-related proteins in the brain, which may help understand the brain regional vulnerability to tau pathology in neurodegenerative tauopathies.

  4. Regression Association Analysis of Yield-Related Traits with RAPD Molecular Markers in Pistachio (Pistacia vera L.

    Directory of Open Access Journals (Sweden)

    Saeid Mirzaei

    2017-10-01

    Full Text Available Introduction: The pistachio (Pistacia vera, a member of the cashew family, is a small tree originating from Central Asia and the Middle East. The tree produces seeds that are widely consumed as food. Pistacia vera often is confused with other species in the genus Pistacia that are also known as pistachio. These other species can be distinguished by their geographic distributions and their seeds which are much smaller and have a soft shell. Continual advances in crop improvement through plant breeding are driven by the available genetic diversity. Therefore, the recognition and measurement of such diversity is crucial to breeding programs. In the past 20 years, the major effort in plant breeding has changed from quantitative to molecular genetics with emphasis on quantitative trait loci (QTL identification and marker assisted selection (MAS. The germplasm-regression-combined association studies not only allow mapping of genes/QTLs with higher level of confidence, but also allow detection of genes/QTLs, which will otherwise escape detection in linkage-based QTL studies based on the planned populations. The development of the marker-based technology offers a fast, reliable, and easy way to perform multiple regression analysis and comprise an alternative approach to breeding in diverse species of plants. The availability of many makers and morphological traits can help to regression analysis between these markers and morphological traits. Materials and Methods: In this study, 20 genotypes of Pistachio were studied and yield related traits were measured. Young well-expanded leaves were collected for DNA extraction and total genomic DNA was extracted. Genotyping was performed using 15 RAPD primers and PCR amplification products were visualized by gel electrophoresis. The reproducible RAPD fragments were scored on the basis of present (1 or absent (0 bands and a binary matrix constructed using each molecular marker. Association analysis between

  5. Reconstruction of molecular phylogeny of closely related Amorphophallus species of India using plastid DNA marker and fingerprinting approaches.

    Science.gov (United States)

    Gholave, Avinash R; Pawar, Kiran D; Yadav, Shrirang R; Bapat, Vishwas A; Jadhav, Jyoti P

    2017-01-01

    Plastid DNA markers sequencing and DNA fingerprinting approaches were used and compared for resolving molecular phylogeny of closely related, previously unexplored Amorphophallus species of India. The utility of individual plastid markers namely rbcL , matK , trnH - psbA , trnLC - trnLD , their combined dataset and two fingerprinting techniques viz. RAPD and ISSR were tested for their efficacy to resolves Amorphophallus species into three sections specific clades namely Rhaphiophallus , Conophallus and Amorphophallus . In the present study, sequences of these four plastid DNA regions as well as RAPD and ISSR profiles of 16 Amorphophallus species together with six varieties of two species were generated and analyzed. Maximum likelihood and Bayesian Inference based construction of phylogenetic trees indicated that among the four plastid DNA regions tested individually and their combined dataset, rbcL was found best suited for resolving closely related Amorphophallus species into section specific clades. When analyzed individually, rbcL exhibited better discrimination ability than matK , trnH - psbA , trnLC - trnLD and combination of all four tested plastid markers. Among two fingerprinting techniques used, the resolution of Amorphophallus species using RAPD was better than ISSR and combination of RAPD +ISSR and in congruence with resolution based on rbcL .

  6. Genotypes analysis of ten genes related to eating quality of 22 Shanghai important rice varieties by molecular marker

    Directory of Open Access Journals (Sweden)

    XIE Mixue

    2013-08-01

    Full Text Available The improvement of rice eating quality is a very important direction of rice breeding.Clearing the different genotype of rice eating quality provides the basis for the parent selection on breeding good eating quality rice.Using molecular marker detection technology,genotypes of ten genes related to eating quality of 22 Shanghai important rice varieties,including conventional rice and hybrid parents were detected.The results showed that "Zixiangnuo 861" rice contained many poor genotypes which might affect rice eating quality.The genotypes of 3 male parents,"Xiangqin","R44" and "Fan14" for three kinds of hybrid rice,"Hannyouxiangqing","Qiuyoujinfeng" and "Huayou14",respectively,were not as good as their corresponding female parents,"HanfengA","JinfengA" and "Shen9A" and another conventional rice varieties.Wx polymorphism analysis showed that there were two glutinous rice,four soft rice japonica and 16 non-soft rice japonica."Baonong34","Jinfeng" and "Yinxiang18" had relatively better genotypes of the genes controlling eating quality among the 16 non-soft rice japonica.

  7. Role of antioxidant enzymes and small molecular weight antioxidants in the pathogenesis of age-related macular degeneration (AMD).

    Science.gov (United States)

    Tokarz, Paulina; Kaarniranta, Kai; Blasiak, Janusz

    2013-10-01

    Cells in aerobic condition are constantly exposed to reactive oxygen species (ROS), which may induce damage to biomolecules, including proteins, nucleic acids and lipids. In normal circumstances, the amount of ROS is counterbalanced by cellular antioxidant defence, with its main components-antioxidant enzymes, DNA repair and small molecular weight antioxidants. An imbalance between the production and neutralization of ROS by antioxidant defence is associated with oxidative stress, which plays an important role in the pathogenesis of many age-related and degenerative diseases, including age-related macular degeneration (AMD), affecting the macula-the central part of the retina. The retina is especially prone to oxidative stress due to high oxygen pressure and exposure to UV and blue light promoting ROS generation. Because oxidative stress has an established role in AMD pathogenesis, proper functioning of antioxidant defence may be crucial for the occurrence and progression of this disease. Antioxidant enzymes play a major role in ROS scavenging and changes of their expression or/and activity are reported to be associated with AMD. Therefore, the enzymes in the retina along with their genes may constitute a perspective target in AMD prevention and therapy.

  8. Wireless motion sensor network for monitoring motion in a process, wireless sensor node, reasoning node, and feedback and/or actuation node for such wireless motion sensor network

    NARCIS (Netherlands)

    Havinga, Paul J.M.; Marin Perianu, Raluca; Marin Perianu, Mihai

    2010-01-01

    Wireless motion sensor network for monitoring motion in a process comprising at least one wireless sensor node for measuring at least one physical quantity related to motion or orientation, feature extraction means for deriving a feature for the measured quantities, a wireless transmitter connected

  9. Molecular basis of structural makeup of hulless barley in relation to rumen degradation kinetics and intestinal availability in dairy cattle: A novel approach.

    Science.gov (United States)

    Damiran, D; Yu, P

    2011-10-01

    To date, no study has been done of molecular structures in relation to nutrient degradation kinetics and intestinal availability in dairy cattle. The objectives of this study were to (1) reveal molecular structures of hulless barley affected by structural alteration using molecular spectroscopy (diffuse reflectance infrared Fourier transform) as a novel approach, and (2) quantify structure features on a molecular basis in relation to digestive kinetics and nutritive value in the rumen and intestine in cattle. The modeled feeds in this study were 4 types of hulless barley (HB) cultivars modified in starch traits: (a) normal starch cultivar, (b) zero-amylose waxy, (c) waxy, and (d) high-amylose. The molecular structural features were determined using diffuse reflectance infrared Fourier transform spectroscopy in the mid-infrared region (ca. 4,000-800 cm(-1)) of the electromagnetic spectrum. The items assessed included infrared intensity attributed to protein amide I (ca. 1,715-1,575 cm(-1)), amide II (ca. 1,575-1,490 cm(-1)), α-helix (ca. 1,648-1,660 cm(-1)), β-sheet (ca. 1,625-1,640 cm(-1)), and their ratio, β-glucan (ca. 1,445-1,400 cm(-1)), total carbohydrates (CHO; ca. 1,188-820 cm(-1)) and their 3 major peaks, structural carbohydrates (ca. 1,277-1,190 cm(-1)), and ratios of amide I to II and amide I to CHO. The results show that (1) the zero-amylose waxy was the greatest in amide I and II peak areas, as well as in the ratio of protein amide I to CHO among HB; (2) α-helix-to-β-sheet ratio differed among HB: the high-amylose was the greatest, the zero-amylose waxy and waxy were the intermediate, and the normal starch was the lowest; (3) HB were similar in β-glucan and CHO molecular structural makeup; (4) altered starch HB cultivars were similar to each other, but were different from the normal starch cultivar in protein molecular makeup; and (5) the rate and extent of rumen degradation of starch and protein were highly related to the molecular structural

  10. On turbulent motion caused by temperature fluctuations - a critical review on the Boussinesq approximation

    International Nuclear Information System (INIS)

    Ruediger, R.

    1977-01-01

    Fluctuating motions which are caused by a given stochastical temperature field acting in a gas with gravitation and T = constant are dealt with. It results that the often used Boussinesq approximation much underestimates the horizontal motions in case wide-spread temperature fluctuations occur. For sufficiently large scales the horizontal motion exceeds the vertical ones even in the case of the temperature field fluctuating completely isotropically. Scales of 1,000 km and 1 day in the Earth atmosphere lead to the observed value u'(horizontal)/u'(vertical) approximately 10. Finally besides the relation between density correlation and pressure correlation the expression for the turbulent mass transport vanishing with the molecular viscosity is determined. (author)

  11. Wetting and motion behaviors of water droplet on graphene under thermal-electric coupling field

    Science.gov (United States)

    Zhang, Zhong-Qiang; Dong, Xin; Ye, Hong-Fei; Cheng, Guang-Gui; Ding, Jian-Ning; Ling, Zhi-Yong

    2015-02-01

    Wetting dynamics and motion behaviors of a water droplet on graphene are characterized under the electric-thermal coupling field using classical molecular dynamics simulation method. The water droplet on graphene can be driven by the temperature gradient, while the moving direction is dependent on the electric field intensity. Concretely, the water droplet on graphene moves from the low temperature region to the high temperature region for the relatively weak electric field intensity. The motion acceleration increases with the electric field intensity on graphene, whereas the moving direction switches when the electric field intensity increases up to a threshold. The essence is the change from hydrophilic to hydrophobic for the water droplet on graphene at a threshold of the electric field intensity. Moreover, the driven force of the water droplet caused by the overall oscillation of graphene has important influence on the motion behaviors. The results are helpful to control the wettability of graphene and further develop the graphene-based fluidic nanodevices.

  12. Cervical motion testing: methodology and clinical implications.

    Science.gov (United States)

    Prushansky, Tamara; Dvir, Zeevi

    2008-09-01

    Measurement of cervical motion (CM) is probably the most commonly applied functional outcome measure in assessing the status of patients with cervical pathology. In general terms, CM refers to motion of the head relative to the trunk as well as conjunct motions within the cervical spine. Multiple techniques and instruments have been used for assessing CM. These were associated with a wide variety of parameters relating to accuracy, reproducibility, and validity. Modern measurement systems enable recording, processing, and documentation of CM with a high degree of precision. Cervical motion measures provide substantial information regarding the severity of motion limitation and level of effort in cervically involved patients. They may also be used for following up performance during and after conservative or invasive interventions.

  13. The perception of object versus objectless motion.

    Science.gov (United States)

    Hock, Howard S; Nichols, David F

    2013-05-01

    Wertheimer, M. (Zeitschrift für Psychologie und Physiologie der Sinnesorgane, 61:161-265, 1912) classical distinction between beta (object) and phi (objectless) motion is elaborated here in a series of experiments concerning competition between two qualitatively different motion percepts, induced by sequential changes in luminance for two-dimensional geometric objects composed of rectangular surfaces. One of these percepts is of spreading-luminance motion that continuously sweeps across the entire object; it exhibits shape invariance and is perceived most strongly for fast speeds. Significantly for the characterization of phi as objectless motion, the spreading luminance does not involve surface boundaries or any other feature; the percept is driven solely by spatiotemporal changes in luminance. Alternatively, and for relatively slow speeds, a discrete series of edge motions can be perceived in the direction opposite to spreading-luminance motion. Akin to beta motion, the edges appear to move through intermediate positions within the object's changing surfaces. Significantly for the characterization of beta as object motion, edge motion exhibits shape dependence and is based on the detection of oppositely signed changes in contrast (i.e., counterchange) for features essential to the determination of an object's shape, the boundaries separating its surfaces. These results are consistent with area MT neurons that differ with respect to speed preference Newsome et al (Journal of Neurophysiology, 55:1340-1351, 1986) and shape dependence Zeki (Journal of Physiology, 236:549-573, 1974).

  14. On the relative role of meridional convergence and downwelling motion during the heat buildup leading to El Niño events

    Science.gov (United States)

    Ballester, Joan; Bordoni, Simona; Petrova, Desislava; Rodó, Xavier

    2015-04-01

    Despite steady progress in the understanding of El Niño-Southern Oscillation (ENSO) in the past decades, questions remain on the exact mechanisms leading to the onset of El Niño (EN) events. Several authors have highlighted how the subsurface heat buildup in the western tropical Pacific and the recharged phase in equatorial heat content are intrinsic elements of ENSO variability, leading to those changes in zonal wind stress, sea surface temperature and thermocline tilt that characterize the growing and mature phases of EN. Here we use an ensemble of ocean and atmosphere assimilation products to identify the mechanisms contributing to the heat buildup that precedes EN events by about 18-24 months on average. Anomalous equatorward subsurface mass convergence due to meridional Sverdrup transport is found to be an important mechanism of thermocline deepening near and to the east of the dateline. In the warm pool, instead, surface horizontal convergence and downwelling motion have a leading role in subsurface warming, since equatorward mass convergence is weaker and counterbalanced by subsurface zonal divergence. The picture emerging from our results highlights the complexity of the three dimensional dynamic and thermodynamic structure of the tropical Pacific during the heat buildup leading to EN events.

  15. Mental imagery of gravitational motion.

    Science.gov (United States)

    Gravano, Silvio; Zago, Myrka; Lacquaniti, Francesco

    2017-10-01

    There is considerable evidence that gravitational acceleration is taken into account in the interaction with falling targets through an internal model of Earth gravity. Here we asked whether this internal model is accessed also when target motion is imagined rather than real. In the main experiments, naïve participants grasped an imaginary ball, threw it against the ceiling, and caught it on rebound. In different blocks of trials, they had to imagine that the ball moved under terrestrial gravity (1g condition) or under microgravity (0g) as during a space flight. We measured the speed and timing of the throwing and catching actions, and plotted ball flight duration versus throwing speed. Best-fitting duration-speed curves estimate the laws of ball motion implicit in the participant's performance. Surprisingly, we found duration-speed curves compatible with 0g for both the imaginary 0g condition and the imaginary 1g condition, despite the familiarity with Earth gravity effects and the added realism of performing the throwing and catching actions. In a control experiment, naïve participants were asked to throw the imaginary ball vertically upwards at different heights, without hitting the ceiling, and to catch it on its way down. All participants overestimated ball flight durations relative to the durations predicted by the effects of Earth gravity. Overall, the results indicate that mental imagery of motion does not have access to the internal model of Earth gravity, but resorts to a simulation of visual motion. Because visual processing of accelerating/decelerating motion is poor, visual imagery of motion at constant speed or slowly varying speed appears to be the preferred mode to perform the tasks. Copyright © 2017 Elsevier Ltd. All rights reserved.

  16. Brain Image Motion Correction

    DEFF Research Database (Denmark)

    Jensen, Rasmus Ramsbøl; Benjaminsen, Claus; Larsen, Rasmus

    2015-01-01

    The application of motion tracking is wide, including: industrial production lines, motion interaction in gaming, computer-aided surgery and motion correction in medical brain imaging. Several devices for motion tracking exist using a variety of different methodologies. In order to use such devices...... offset and tracking noise in medical brain imaging. The data are generated from a phantom mounted on a rotary stage and have been collected using a Siemens High Resolution Research Tomograph for positron emission tomography. During acquisition the phantom was tracked with our latest tracking prototype...

  17. Conversion of light into macroscopic helical motion

    Science.gov (United States)

    Iamsaard, Supitchaya; Aßhoff, Sarah J.; Matt, Benjamin; Kudernac, Tibor; Cornelissen, Jeroen J. L. M.; Fletcher, Stephen P.; Katsonis, Nathalie

    2014-03-01

    A key goal of nanotechnology is the development of artificial machines capable of converting molecular movement into macroscopic work. Although conversion of light into shape changes has been reported and compared to artificial muscles, real applications require work against an external load. Here, we describe the design, synthesis and operation of spring-like materials capable of converting light energy into mechanical work at the macroscopic scale. These versatile materials consist of molecular switches embedded in liquid-crystalline polymer springs. In these springs, molecular movement is converted and amplified into controlled and reversible twisting motions. The springs display complex motion, which includes winding, unwinding and helix inversion, as dictated by their initial shape. Importantly, they can produce work by moving a macroscopic object and mimicking mechanical movements, such as those used by plant tendrils to help the plant access sunlight. These functional materials have potential applications in micromechanical systems, soft robotics and artificial muscles.

  18. The molecular basis for the pharmacokinetics and pharmacodynamics of curcumin and its metabolites in relation to cancer

    NARCIS (Netherlands)

    Heger, Michal; van Golen, Rowan F.; Broekgaarden, Mans; Michel, Martin C.

    2014-01-01

    This review addresses the oncopharmacological properties of curcumin at the molecular level. First, the interactions between curcumin and its molecular targets are addressed on the basis of curcumin's distinct chemical properties, which include H-bond donating and accepting capacity of the

  19. Relating Trp-Glu dipeptide fluorescence to molecular conformation: the role of the discrete Chi 1 and Chi 2 angles.

    Science.gov (United States)

    Eisenberg, Azaria Solomon; Juszczak, Laura J

    2013-07-05

    Molecular dynamics (MD), coupled with fluorescence data for charged dipeptides of tryptophanyl glutamic acid (Trp-Glu), reveal a detailed picture of how specific conformation affects fluorescence. Fluorescence emission spectra and time-resolved emission measurements have been collected for all four charged species. MD simulations 20 to 30 ns in length have also been carried out for the Trp-Glu species, as simulation provides aqueous phase conformational data that can be correlated with the fluorescence data. The calculations show that each dipeptide species is characterized by a similar set of six, discrete Chi 1, Chi 2 dihedral angle pairs. The preferred Chi 1 angles--60°, 180°, and 300°--play the significant role in positioning the terminal amine relative to the indole ring. A Chi 1 angle of 60° results in the arching of the backbone over the indole ring and no interaction of the ring with the terminal amine. Chi 1 values of 180° and 300° result in an extension of the backbone away from the indole ring and a NH3 cation-π interaction with indole. This interaction is believed responsible for charge transfer quenching. Two fluorescence lifetimes and their corresponding amplitudes correlate with the Chi 1 angle probability distribution for all four charged Trp-Glu dipeptides. Fluorescence emission band maxima are also consistent with the proposed pattern of terminal amine cation quenching of fluorescence. Copyright © 2013 Wiley Periodicals, Inc.

  20. Sequence-related amplified polymorphism (SRAP) markers: A potential resource for studies in plant molecular biology1

    Science.gov (United States)

    Robarts, Daniel W. H.; Wolfe, Andrea D.

    2014-01-01

    In the past few decades, many investigations in the field of plant biology have employed selectively neutral, multilocus, dominant markers such as inter-simple sequence repeat (ISSR), random-amplified polymorphic DNA (RAPD), and amplified fragment length polymorphism (AFLP) to address hypotheses at lower taxonomic levels. More recently, sequence-related amplified polymorphism (SRAP) markers have been developed, which are used to amplify coding regions of DNA with primers targeting open reading frames. These markers have proven to be robust and highly variable, on par with AFLP, and are attained through a significantly less technically demanding process. SRAP markers have been used primarily for agronomic and horticultural purposes, developing quantitative trait loci in advanced hybrids and assessing genetic diversity of large germplasm collections. Here, we suggest that SRAP markers should be employed for research addressing hypotheses in plant systematics, biogeography, conservation, ecology, and beyond. We provide an overview of the SRAP literature to date, review descriptive statistics of SRAP markers in a subset of 171 publications, and present relevant case studies to demonstrate the applicability of SRAP markers to the diverse field of plant biology. Results of these selected works indicate that SRAP markers have the potential to enhance the current suite of molecular tools in a diversity of fields by providing an easy-to-use, highly variable marker with inherent biological significance. PMID:25202637

  1. Sequence-related amplified polymorphism (SRAP) markers: A potential resource for studies in plant molecular biology(1.).

    Science.gov (United States)

    Robarts, Daniel W H; Wolfe, Andrea D

    2014-07-01

    In the past few decades, many investigations in the field of plant biology have employed selectively neutral, multilocus, dominant markers such as inter-simple sequence repeat (ISSR), random-amplified polymorphic DNA (RAPD), and amplified fragment length polymorphism (AFLP) to address hypotheses at lower taxonomic levels. More recently, sequence-related amplified polymorphism (SRAP) markers have been developed, which are used to amplify coding regions of DNA with primers targeting open reading frames. These markers have proven to be robust and highly variable, on par with AFLP, and are attained through a significantly less technically demanding process. SRAP markers have been used primarily for agronomic and horticultural purposes, developing quantitative trait loci in advanced hybrids and assessing genetic diversity of large germplasm collections. Here, we suggest that SRAP markers should be employed for research addressing hypotheses in plant systematics, biogeography, conservation, ecology, and beyond. We provide an overview of the SRAP literature to date, review descriptive statistics of SRAP markers in a subset of 171 publications, and present relevant case studies to demonstrate the applicability of SRAP markers to the diverse field of plant biology. Results of these selected works indicate that SRAP markers have the potential to enhance the current suite of molecular tools in a diversity of fields by providing an easy-to-use, highly variable marker with inherent biological significance.

  2. Molecular detection of hematozoa infections in tundra swans relative to migration patterns and ecological conditions at breeding grounds.

    Directory of Open Access Journals (Sweden)

    Andrew M Ramey

    Full Text Available Tundra swans (Cygnus columbianus are broadly distributed in North America, use a wide variety of habitats, and exhibit diverse migration strategies. We investigated patterns of hematozoa infection in three populations of tundra swans that breed in Alaska using satellite tracking to infer host movement and molecular techniques to assess the prevalence and genetic diversity of parasites. We evaluated whether migratory patterns and environmental conditions at breeding areas explain the prevalence of blood parasites in migratory birds by contrasting the fit of competing models formulated in an occupancy modeling framework and calculating the detection probability of the top model using Akaike Information Criterion (AIC. We described genetic diversity of blood parasites in each population of swans by calculating the number of unique parasite haplotypes observed. Blood parasite infection was significantly different between populations of Alaska tundra swans, with the highest estimated prevalence occurring among birds occupying breeding areas with lower mean daily wind speeds and higher daily summer temperatures. Models including covariates of wind speed and temperature during summer months at breeding grounds better predicted hematozoa prevalence than those that included annual migration distance or duration. Genetic diversity of blood parasites in populations of tundra swans appeared to be relative to hematozoa prevalence. Our results suggest ecological conditions at breeding grounds may explain differences of hematozoa infection among populations of tundra swans that breed in Alaska.

  3. Molecular detection of hematozoa infections in tundra swans relative to migration patterns and ecological conditions at breeding grounds.

    Science.gov (United States)

    Ramey, Andrew M; Ely, Craig R; Schmutz, Joel A; Pearce, John M; Heard, Darryl J

    2012-01-01

    Tundra swans (Cygnus columbianus) are broadly distributed in North America, use a wide variety of habitats, and exhibit diverse migration strategies. We investigated patterns of hematozoa infection in three populations of tundra swans that breed in Alaska using satellite tracking to infer host movement and molecular techniques to assess the prevalence and genetic diversity of parasites. We evaluated whether migratory patterns and environmental conditions at breeding areas explain the prevalence of blood parasites in migratory birds by contrasting the fit of competing models formulated in an occupancy modeling framework and calculating the detection probability of the top model using Akaike Information Criterion (AIC). We described genetic diversity of blood parasites in each population of swans by calculating the number of unique parasite haplotypes observed. Blood parasite infection was significantly different between populations of Alaska tundra swans, with the highest estimated prevalence occurring among birds occupying breeding areas with lower mean daily wind speeds and higher daily summer temperatures. Models including covariates of wind speed and temperature during summer months at breeding grounds better predicted hematozoa prevalence than those that included annual migration distance or duration. Genetic diversity of blood parasites in populations of tundra swans appeared to be relative to hematozoa prevalence. Our results suggest ecological conditions at breeding grounds may explain differences of hematozoa infection among populations of tundra swans that breed in Alaska.

  4. Inhibitory effects and related molecular mechanisms of total flavonoids in Mosla chinensis Maxim against H1N1 influenza virus.

    Science.gov (United States)

    Zhang, Xiao-Xia; Wu, Qiao-Feng; Yan, Yun-Liang; Zhang, Feng-Ling

    2018-02-01

    The Shixiangru (Mosla chinensis Maxim) total flavonoids (STF) mainly contain luteolin and apigenin. The study aims to examine the inhibitory effects of STF on anti-H1N1 influenza virus and its related molecular mechanisms in pneumonia mice. The viral pneumonia mice were treated with Ribavirin or various doses of STF. We observed histological changes of lung by immunohistochemistry and measured lung index to value anti-influenza virus effects of STF. The concentrations of inflammatory cytokines and anti-oxidant factors were detected by ELISA. RT-PCR and western blot assays were used to determine the expression level of TLR pathway's key genes and proteins in lung tissues. We found that the pathological changes of lung in the viral pneumonia mice obviously alleviated by STF treatments and the STF (288 or 576 mg/kg) could significantly decrease lung indices. Moreover, the up-regulation (IL-6, TNF-α, IFN-γ, and NO) and down-regulation (IL-2, SOD and GSH) of inflammatory cytokines and anti-oxidant factors were associated with higher clearance of virus and reduction of inflammatory lung tissue damage. Meanwhile, the expression levels of TLR3, TLR7, MyD88, TRAF3 and NF-κB p65 of the TLR pathway were reduced by STF treatment. This study suggested that STF may be a promising candidate for treating H1N1 influenza and subsequent viral pneumonia.

  5. Use of Curcumin, a Natural Polyphenol for Targeting Molecular Pathways in Treating Age-Related Neurodegenerative Diseases

    Directory of Open Access Journals (Sweden)

    Panchanan Maiti

    2018-05-01

    Full Text Available Progressive accumulation of misfolded amyloid proteins in intracellular and extracellular spaces is one of the principal reasons for synaptic damage and impairment of neuronal communication in several neurodegenerative diseases. Effective treatments for these diseases are still lacking but remain the focus of much active investigation. Despite testing several synthesized compounds, small molecules, and drugs over the past few decades, very few of them can inhibit aggregation of amyloid proteins and lessen their neurotoxic effects. Recently, the natural polyphenol curcumin (Cur has been shown to be a promising anti-amyloid, anti-inflammatory and neuroprotective agent for several neurodegenerative diseases. Because of its pleotropic actions on the central nervous system, including preferential binding to amyloid proteins, Cur is being touted as a promising treatment for age-related brain diseases. Here, we focus on molecular targeting of Cur to reduce amyloid burden, rescue neuronal damage, and restore normal cognitive and sensory motor functions in different animal models of neurodegenerative diseases. We specifically highlight Cur as a potential treatment for Alzheimer’s, Parkinson’s, Huntington’s, and prion diseases. In addition, we discuss the major issues and limitations of using Cur for treating these diseases, along with ways of circumventing those shortcomings. Finally, we provide specific recommendations for optimal dosing with Cur for treating neurological diseases.

  6. Molecular detection of hematozoa infections in tundra swans relative to migration patterns and ecological conditions at breeding grounds

    Science.gov (United States)

    Ramey, Andrew M.; Ely, Craig R.; Schmutz, Joel A.; Pearce, John M.; Heard, Darryl J.

    2012-01-01

    Tundra swans (Cygnus columbianus) are broadly distributed in North America, use a wide variety of habitats, and exhibit diverse migration strategies. We investigated patterns of hematozoa infection in three populations of tundra swans that breed in Alaska using satellite tracking to infer host movement and molecular techniques to assess the prevalence and genetic diversity of parasites. We evaluated whether migratory patterns and environmental conditions at breeding areas explain the prevalence of blood parasites in migratory birds by contrasting the fit of competing models formulated in an occupancy modeling framework and calculating the detection probability of the top model using Akaike Information Criterion (AIC). We described genetic diversity of blood parasites in each population of swans by calculating the number of unique parasite haplotypes observed. Blood parasite infection was significantly different between populations of Alaska tundra swans, with the highest estimated prevalence occurring among birds occupying breeding areas with lower mean daily wind speeds and higher daily summer temperatures. Models including covariates of wind speed and temperature during summer months at breeding grounds better predicted hematozoa prevalence than those that included annual migration distance or duration. Genetic diversity of blood parasites in populations of tundra swans appeared to be relative to hematozoa prevalence. Our results suggest ecological conditions at breeding grounds may explain differences of hematozoa infection among populations of tundra swans that breed in Alaska.

  7. Linearized motion estimation for articulated planes.

    Science.gov (United States)

    Datta, Ankur; Sheikh, Yaser; Kanade, Takeo

    2011-04-01

    In this paper, we describe the explicit application of articulation constraints for estimating the motion of a system of articulated planes. We relate articulations to the relative homography between planes and show that these articulations translate into linearized equality constraints on a linear least-squares system, which can be solved efficiently using a Karush-Kuhn-Tucker system. The articulation constraints can be applied for both gradient-based and feature-based motion estimation algorithms and to illustrate this, we describe a gradient-based motion estimation algorithm for an affine camera and a feature-based motion estimation algorithm for a projective camera that explicitly enforces articulation constraints. We show that explicit application of articulation constraints leads to numerically stable estimates of motion. The simultaneous computation of motion estimates for all of the articulated planes in a scene allows us to handle scene areas where there is limited texture information and areas that leave the field of view. Our results demonstrate the wide applicability of the algorithm in a variety of challenging real-world cases such as human body tracking, motion estimation of rigid, piecewise planar scenes, and motion estimation of triangulated meshes.

  8. Thermodynamics and kinetics of molecular motors.

    Science.gov (United States)

    Astumian, R Dean

    2010-06-02

    Molecular motors are first and foremost molecules, governed by the laws of chemistry rather than of mechanics. The dynamical behavior of motors based on chemical principles can be described as a random walk on a network of states. A key insight is that any molecular motor in solution explores all possible motions and configurations at thermodynamic equilibrium. By using input energy and chemical design to prevent motion that is not wanted, what is left behind is the motion that is desired. This review is focused on two-headed motors such as kinesin and Myosin V that move on a polymeric track. By use of microscopic reversibility, it is shown that the ratio between the number of forward steps and the number of backward steps in any sufficiently long time period does not directly depend on the mechanical properties of the linker between the two heads. Instead, this ratio is governed by the relative chemical specificity of the heads in the front-versus-rear position for the fuel, adenosine triphosphate and its products, adenosine diphosphate and inorganic phosphate. These insights have been key factors in the design of biologically inspired synthetic molecular walkers constructed out of DNA or out of small organic molecules. Copyright (c) 2010 Biophysical Society. Published by Elsevier Inc. All rights reserved.

  9. Contextual effects on motion perception and smooth pursuit eye movements.

    Science.gov (United States)

    Spering, Miriam; Gegenfurtner, Karl R

    2008-08-15

    Smooth pursuit eye movements are continuous, slow rotations of the eyes that allow us to follow the motion of a visual object of interest. These movements are closely related to sensory inputs from the visual motion processing system. To track a moving object in the natural environment, its motion first has to be segregated from the motion signals provided by surrounding stimuli. Here, we review experiments on the effect of the visual context on motion processing with a focus on the relationship between motion perception and smooth pursuit eye movements. While perception and pursuit are closely linked, we show that they can behave quite distinctly when required by the visual context.

  10. Canonoid transformations and constants of motion

    International Nuclear Information System (INIS)

    Negri, L.J.; Oliveira, L.C.; Teixeira, J.M.

    1986-01-01

    The necessary and sufficient conditions for a canonoid transformation with respect to a given Hamiltonian are obtained in terms of the Lagrange brackets of the trasformation. The relation of these conditions with the constants of motion is discussed. (Author) [pt

  11. Nanostructure formation during relatively high temperature growth of Mn-doped GaAs by molecular beam epitaxy

    Energy Technology Data Exchange (ETDEWEB)

    Del Río-De Santiago, A.; Méndez-García, V.H. [CIACyT-UASLP, Sierra Leona Av. # 550, Lomas 2a Secc, San Luis Potosí, S.L.P. 78210, México (Mexico); Martínez-Velis, I.; Casallas-Moreno, Y.L. [Physics Department, CINVESTAV-IPN, Apdo. Postal 14470 D. F. México, México (Mexico); López-Luna, E. [CIACyT-UASLP, Sierra Leona Av. # 550, Lomas 2a Secc, San Luis Potosí, S.L.P. 78210, México (Mexico); Yu Gorbatchev, A. [IICO-UASLP, Av. Karakorum 1470, Lomas 4a. Sección, San Luis Potosí, S.L.P. 78210, México (Mexico); López-López, M. [Physics Department, CINVESTAV-IPN, Apdo. Postal 14470 D. F. México, México (Mexico); Cruz-Hernández, E., E-mail: esteban.cruz@uaslp.mx [CIACyT-UASLP, Sierra Leona Av. # 550, Lomas 2a Secc, San Luis Potosí, S.L.P. 78210, México (Mexico)

    2015-04-01

    Highlights: • The formation of different kind of nanostructures in GaMnAs layers depending on Mn concentration at relative HT-MBE is reported. In this Mn% range, it is found the formation of nanogrooves, nanoleaves, and nanowires. • It is shown the progressive photoluminescence transitions from purely GaAsMn zinc blende (for Mn% = 0.01) to a mixture of zinc blende and wurtzite GaAsMn (for Mn% = 0.2). • A critical thickness for the Mn catalyst effect was determined by RHEED. - Abstract: In the present work, we report on molecular beam epitaxy growth of Mn-doped GaAs films at the relatively high temperature (HT) of 530 °C. We found that by increasing the Mn atomic percent, Mn%, from 0.01 to 0.2, the surface morphology of the samples is strongly influenced and changes from planar to corrugated for Mn% values from 0.01 to 0.05, corresponding to nanostructures on the surface with dimensions of 200–300 nm and with the shape of leave, to nanowire-like structures for Mn% values above 0.05. From reflection high-energy electron diffraction patterns, we observed the growth mode transition from two- to three-dimensional occurring at a Mn% exceeding 0.05. The optical and electrical properties were obtained from photoluminescence (PL) and Hall effect measurements, respectively. For the higher Mn concentration, besides the Mn related transitions at approximately 1.41 eV, PL spectra sharp peaks are present between 1.43 and 1.49 eV, which we related to the coexistence of zinc blende and wurtzite phases in the nanowire-like structures of this sample. At Mn% of 0.04, an increase of the carrier mobility up to a value of 1.1 × 10{sup 3} cm{sup 2}/Vs at 77 K was found, then decreases as Mn% is further increased due to the strengthening of the ionized impurity scattering.

  12. Projectile Motion Hoop Challenge

    Science.gov (United States)

    Jordan, Connor; Dunn, Amy; Armstrong, Zachary; Adams, Wendy K.

    2018-01-01

    Projectile motion is a common phenomenon that is used in introductory physics courses to help students understand motion in two dimensions. Authors have shared a range of ideas for teaching this concept and the associated kinematics in "The Physics Teacher" ("TPT"); however, the "Hoop Challenge" is a new setup not…

  13. Temporal logic motion planning

    CSIR Research Space (South Africa)

    Seotsanyana, M

    2010-01-01

    Full Text Available In this paper, a critical review on temporal logic motion planning is presented. The review paper aims to address the following problems: (a) In a realistic situation, the motion planning problem is carried out in real-time, in a dynamic, uncertain...

  14. Aristotle, Motion, and Rhetoric.

    Science.gov (United States)

    Sutton, Jane

    Aristotle rejects a world vision of changing reality as neither useful nor beneficial to human life, and instead he reaffirms both change and eternal reality, fuses motion and rest, and ends up with "well-behaved" changes. This concept of motion is foundational to his world view, and from it emerges his theory of knowledge, philosophy of…

  15. Brownian motion probe for water-ethanol inhomogeneous mixtures

    Science.gov (United States)

    Furukawa, Kazuki; Judai, Ken

    2017-12-01

    Brownian motion provides information regarding the microscopic geometry and motion of molecules, insofar as it occurs as a result of molecular collisions with a colloid particle. We found that the mobility of polystyrene beads from the Brownian motion in a water-ethanol mixture is larger than that predicted from the liquid shear viscosity. This indicates that mixing water and ethanol is inhomogeneous in micron-sized probe beads. The discrepancy between the mobility of Brownian motion and liquid mobility can be explained by the way the rotation of the beads in an inhomogeneous viscous solvent converts the translational movement.

  16. Stochastic ground motion simulation

    Science.gov (United States)

    Rezaeian, Sanaz; Xiaodan, Sun; Beer, Michael; Kougioumtzoglou, Ioannis A.; Patelli, Edoardo; Siu-Kui Au, Ivan

    2014-01-01

    Strong earthquake ground motion records are fundamental in engineering applications. Ground motion time series are used in response-history dynamic analysis of structural or geotechnical systems. In such analysis, the validity of predicted responses depends on the validity of the input excitations. Ground motion records are also used to develop ground motion prediction equations(GMPEs) for intensity measures such as spectral accelerations that are used in response-spectrum dynamic analysis. Despite the thousands of available strong ground motion records, there remains a shortage of records for large-magnitude earthquakes at short distances or in specific regions, as well as records that sample specific combinations of source, path, and site characteristics.

  17. A circumstellar molecular gas structure associated with the massive young star Cepheus A-HW 2

    Science.gov (United States)

    Torrelles, Jose M.; Rodriguez, Luis F.; Canto, Jorge; Ho, Paul T. P.

    1993-01-01

    We report the detection via VLA-D observations of ammonia of a circumstellar high-density molecular gas structure toward the massive young star related to the object Cepheus A-HW 2, a firm candidate for the powering source of the high-velocity molecular outflow in the region. We suggest that the circumstellar molecular gas structure could be related to the circumstellar disk previously suggested from infrared, H2O, and OH maser observations. We consider as a plausible scenario that the double radio continuum source of HW 2 could represent the ionized inner part of the circumstellar disk, in the same way as proposed to explain the double radio source in L1551. The observed motions in the circumstellar molecular gas can be produced by bound motions (e.g., infall or rotation) around a central mass of about 10-20 solar masses (B0.5 V star or earlier).

  18. Proper motions and distances of quasars

    International Nuclear Information System (INIS)

    Varshni, Y.P.

    1982-01-01

    The author's theory that quasars are stars raises the question of their proper motions. From the evidence presented in a previous paper, it is hypothesised that planetary nuclei and quasars are related objects and that their distributions in the galaxy are not very different. Proper motions of 30 quasars, calculated from existing measurements, are discussed. It is shown that three of these, namely PHL 1033, LB 8956 and LB 8991, have proper motions comparable to the largest proper motion known amongst the planetary nuclei. From this it is estimated that these three quasars lie within a few hundred parsecs from the sun. The evidence presented in a previous paper and the present one clearly supports the theory that quasars are stars. The possibility of using the interstellar K and H lines as distance indicators of quasars is discussed and the available evidence summarised. The desirability of determining more accurate values of the proper motions of quasars is emphasised. (Auth.)

  19. 29 CFR 1921.5 - Motions and requests.

    Science.gov (United States)

    2010-07-01

    ... 29 Labor 7 2010-07-01 2010-07-01 false Motions and requests. 1921.5 Section 1921.5 Labor Regulations Relating to Labor (Continued) OCCUPATIONAL SAFETY AND HEALTH ADMINISTRATION, DEPARTMENT OF LABOR... WORKERS' COMPENSATION ACT Prehearing Procedures § 1921.5 Motions and requests. Motions or requests shall...

  20. The function of the yeast molecular chaperone Sse1 is mechanistically distinct from the closely related hsp70 family.

    Science.gov (United States)

    Shaner, Lance; Trott, Amy; Goeckeler, Jennifer L; Brodsky, Jeffrey L; Morano, Kevin A

    2004-05-21

    The Sse1/Hsp110 molecular chaperones are a poorly understood subgroup of the Hsp70 chaperone family. Hsp70 can refold denatured polypeptides via a C-terminal peptide binding domain (PBD), which is regulated by nucleotide cycling in an N-terminal ATPase domain. However, unlike Hsp70, both Sse1 and mammalian Hsp110 bind unfolded peptide substrates but cannot refold them. To test the in vivo requirement for interdomain communication, SSE1 alleles carrying amino acid substitutions in the ATPase domain were assayed for their ability to complement sse1Delta yeast. Surprisingly, all mutants predicted to abolish ATP hydrolysis (D8N, K69Q, D174N, D203N) complemented the temperature sensitivity of sse1Delta and lethality of sse1Deltasse2Delta cells, whereas mutations in predicted ATP binding residues (G205D, G233D) were non-functional. Complementation ability correlated well with ATP binding assessed in vitro. The extreme C terminus of the Hsp70 family is required for substrate targeting and heterocomplex formation with other chaperones, but mutant Sse1 proteins with a truncation of up to 44 C-terminal residues that were not included in the PBD were active. Remarkably, the two domains of Sse1, when expressed in trans, functionally complement the sse1Delta growth phenotype and interact by coimmunoprecipitation analysis. In addition, a functional PBD was required to stabilize the Sse1 ATPase domain, and stabilization also occurred in trans. These data represent the first structure-function analysis of this abundant but ill defined chaperone, and establish several novel aspects of Sse1/Hsp110 function relative to Hsp70.

  1. Experimental study of the molecular beam destruction by beam-beam and beam-background scattering

    International Nuclear Information System (INIS)

    Bossel, U.; Dettleff, G.

    1974-01-01

    The extraction of flow properties related to the molecular motion normal to stream lines of an expanding gas jet from observed intensity profiles of supersonic beams is critically assessed. The perturbation of the profile curves by various effects is studied for a helium beam. Exponential laws appear to describe scattering effects to a satisfactory degree

  2. Molecular dynamics in high electric fields

    International Nuclear Information System (INIS)

    Apostol, M.; Cune, L.C.

    2016-01-01

    Highlights: • New method for rotation molecular spectra in high electric fields. • Parametric resonances – new features in spectra. • New elementary excitations in polar solids from dipolar interaction (“dipolons”). • Discussion about a possible origin of the ferroelectricity from dipolar interactions. - Abstract: Molecular rotation spectra, generated by the coupling of the molecular electric-dipole moments to an external time-dependent electric field, are discussed in a few particular conditions which can be of some experimental interest. First, the spherical-pendulum molecular model is reviewed, with the aim of introducing an approximate method which consists in the separation of the azimuthal and zenithal motions. Second, rotation spectra are considered in the presence of a static electric field. Two particular cases are analyzed, corresponding to strong and weak fields. In both cases the classical motion of the dipoles consists of rotations and vibrations about equilibrium positions; this motion may exhibit parametric resonances. For strong fields a large macroscopic electric polarization may appear. This situation may be relevant for polar matter (like pyroelectrics, ferroelectrics), or for heavy impurities embedded in a polar solid. The dipolar interaction is analyzed in polar condensed matter, where it is shown that new polarization modes appear for a spontaneous macroscopic electric polarization (these modes are tentatively called “dipolons”); one of the polarization modes is related to parametric resonances. The extension of these considerations to magnetic dipoles is briefly discussed. The treatment is extended to strong electric fields which oscillate with a high frequency, as those provided by high-power lasers. It is shown that the effect of such fields on molecular dynamics is governed by a much weaker, effective, renormalized, static electric field.

  3. Molecular characteristics of travel-related extended-spectrum-beta-lactamase-producing Escherichia coli isolates from the Calgary Health Region.

    Science.gov (United States)

    Pitout, Johann D D; Campbell, Lorraine; Church, Deirdre L; Gregson, Daniel B; Laupland, Kevin B

    2009-06-01

    Extended-spectrum-beta-lactamase (ESBL)-producing Escherichia coli has recently emerged as a major risk factor for community-acquired, travel-related infections in the Calgary Health Region. Molecular characterization was done on isolates associated with infections in returning travelers using isoelectric focusing, PCR, and sequencing for bla(CTX-M)s, bla(TEM)s, bla(SHV)s, bla(OXA)s, and plasmid-mediated quinolone resistance determinants. Genetic relatedness was determined with pulsed-field gel electrophoresis using XbaI and multilocus sequence typing (MLST). A total of 105 residents were identified; 6/105 (6%) presented with hospital-acquired infections, 9/105 (9%) with health care-associated community-onset infections, and 90/105 (86%) with community-acquired infections. Seventy-seven of 105 (73%) of the ESBL-producing E. coli isolates were positive for bla(CTX-M) genes; 55 (58%) produced CTX-M-15, 13 (14%) CTX-M-14, six (6%) CTX-M-24, one (1%) CTX-M-2, one (1%) CTX-M-3, and one (1%) CTX-M-27, while 10 (10%) produced TEM-52, three (3%) TEM-26, 11 (11%) SHV-2, and four (4%) produced SHV-12. Thirty-one (30%) of the ESBL-producing E. coli isolates were positive for aac(6')-Ib-cr, and one (1%) was positive for qnrS. The majority of the ESBL-producing isolates (n = 95 [90%]) were recovered from urine samples, and 83 (87%) were resistant to ciprofloxacin. The isolation of CTX-M-15 producers belonging to clone ST131 was associated with travel to the Indian subcontinent (India, Pakistan), Africa, the Middle East, and Europe, while clonally unrelated strains of CTX-M-14 and -24 were associated with travel to Asia. Our study suggested that clone ST131 coproducing CTX-M-15, OXA-1, TEM-1, and AAC(6')-Ib-cr and clonally unrelated CTX-M-14 producers have emerged as important causes of community-acquired, travel-related infections.

  4. Alteration of biomacromolecule in corn by steam flaking in relation to biodegradation kinetics in ruminant, revealed with vibrational molecular spectroscopy

    Science.gov (United States)

    Xu, Ningning; Liu, Jianxin; Yu, Peiqiang

    2018-02-01

    Large scale of steam flaked corn has been used in dairy ration to maintain high milk production level. This study aimed to determine effects of steam flaking on processing-induced intrinsic molecular structure changes that were associated with rumen degradation kinetics and nutrients supply. The advanced vibrational molecular spectroscopy was applied to reveal the processing-induced intrinsic structure changes on a molecular basis. The rumen degradation kinetics and nutrient supply were determined using in situ approach in ruminant livestock system. Raw corn grain (RC) and steam flaked corn grain (SFC) were obtained from two different processing plants. The results showed that (1) Compared to RC, SFC had greater truly digestible non-fiber carbohydrate [tdNFC: 86.8 versus 78.0% dry matter (DM)], but lower truly digestible crude protein [tdCP: 7.7 versus 9.0% DM]. (2) The steam flaking increased (P < 0.01) rumen degradable DM (RDDM) and starch (RDSt), but decreased (P < 0.01) rumen degradable protein (RDP). (3) Molecular absorbance intensities of most carbohydrate biopolymers were greater in SFC (P < 0.01), but protein amides associated molecular spectral intensities were lower (P < 0.01) in SFC. (4). The molecular structure and nutrient interactive study showed that carbohydrate spectral intensities were positively (P < 0.10) associated with RDDM and RDSt and protein amide spectral intensities were positively (P < 0.10) associated with RDP. This results indicated that the steam flaking induced molecular structure changes had an interactive relationship with rumen degradation kinetics.

  5. Psychophysical evidence for auditory motion parallax.

    Science.gov (United States)

    Genzel, Daria; Schutte, Michael; Brimijoin, W Owen; MacNeilage, Paul R; Wiegrebe, Lutz

    2018-04-17

    Distance is important: From an ecological perspective, knowledge about the distance to either prey or predator is vital. However, the distance of an unknown sound source is particularly difficult to assess, especially in anechoic environments. In vision, changes in perspective resulting from observer motion produce a reliable, consistent, and unambiguous impression of depth known as motion parallax. Here we demonstrate with formal psychophysics that humans can exploit auditory motion parallax, i.e., the change in the dynamic binaural cues elicited by self-motion, to assess the relative depths of two sound sources. Our data show that sensitivity to relative depth is best when subjects move actively; performance deteriorates when subjects are moved by a motion platform or when the sound sources themselves move. This is true even though the dynamic binaural cues elicited by these three types of motion are identical. Our data demonstrate a perceptual strategy to segregate intermittent sound sources in depth and highlight the tight interaction between self-motion and binaural processing that allows assessment of the spatial layout of complex acoustic scenes.

  6. Laser spectroscopic visualization of hydrogen bond motions in liquid water

    Science.gov (United States)

    Bratos, S.; Leicknam, J.-Cl.; Pommeret, S.; Gallot, G.

    2004-12-01

    Ultrafast pump-probe experiments are described permitting a visualization of molecular motions in diluted HDO/D 2O solutions. The experiments were realized in the mid-infrared spectral region with a time resolution of 150 fs. They were interpreted by a careful theoretical analysis, based on the correlation function approach of statistical mechanics. Combining experiment and theory, stretching motions of the OH⋯O bonds as well as HDO rotations were 'filmed' in real time. It was found that molecular rotations are the principal agent of hydrogen bond breaking and making in water. Recent literatures covering the subject, including molecular dynamics simulations, are reviewed in detail.

  7. Toward the identification of molecular cogs.

    Science.gov (United States)

    Dziubiński, Maciej; Lesyng, Bogdan

    2016-04-05

    Computer simulations of molecular systems allow determination of microscopic interactions between individual atoms or groups of atoms, as well as studies of intramolecular motions. Nevertheless, description of structural transformations at the mezoscopic level and identification of causal relations associated with these transformations is very difficult. Structural and functional properties are related to free energy changes. Therefore, to better understand structural and functional properties of molecular systems, it is required to deepen our knowledge of free energy contributions arising from molecular subsystems in the course of structural transformations. The method presented in this work quantifies the energetic contribution of each pair of atoms to the total free energy change along a given collective variable. Next, with the help of a genetic clustering algorithm, the method proposes a division of the system into two groups of atoms referred to as molecular cogs. Atoms which cooperate to push the system forward along a collective variable are referred to as forward cogs, and those which work in the opposite direction as reverse cogs. The procedure was tested on several small molecules for which the genetic clustering algorithm successfully found optimal partitionings into molecular cogs. The primary result of the method is a plot depicting the energetic contributions of the identified molecular cogs to the total Potential of Mean Force (PMF) change. Case-studies presented in this work should help better understand the implications of our approach, and were intended to pave the way to a future, publicly available implementation. © 2015 Wiley Periodicals, Inc.

  8. Photoinduced diffusion molecular transport

    Energy Technology Data Exchange (ETDEWEB)

    Rozenbaum, Viktor M., E-mail: vik-roz@mail.ru, E-mail: litrakh@gmail.com [Chuiko Institute of Surface Chemistry, National Academy of Sciences of Ukraine, Generala Naumova St. 17, Kiev 03164 (Ukraine); Dekhtyar, Marina L. [Institute of Organic Chemistry, National Academy of Sciences of Ukraine, Murmanskaya St. 5, Kiev 02094 (Ukraine); Lin, Sheng Hsien [Department of Applied Chemistry, National Chiao Tung University, 1001 Ta Hsuen Road, Hsinchu 300, Taiwan (China); Trakhtenberg, Leonid I., E-mail: vik-roz@mail.ru, E-mail: litrakh@gmail.com [Semenov Institute of Chemical Physics, Russian Academy of Sciences, Kosygin Street 4, Moscow 119991, Russia and Moscow Institute of Physics and Technology (State University), Institutskii Per. 9, Dolgoprudnyi, Moscow Region 141700 (Russian Federation)

    2016-08-14

    We consider a Brownian photomotor, namely, the directed motion of a nanoparticle in an asymmetric periodic potential under the action of periodic rectangular resonant laser pulses which cause charge redistribution in the particle. Based on the kinetics for the photoinduced electron redistribution between two or three energy levels of the particle, the time dependence of its potential energy is derived and the average directed velocity is calculated in the high-temperature approximation (when the spatial amplitude of potential energy fluctuations is small relative to the thermal energy). The thus developed theory of photoinduced molecular transport appears applicable not only to conventional dichotomous Brownian motors (with only two possible potential profiles) but also to a much wider variety of molecular nanomachines. The distinction between the realistic time dependence of the potential energy and that for a dichotomous process (a step function) is represented in terms of relaxation times (they can differ on the time intervals of the dichotomous process). As shown, a Brownian photomotor has the maximum average directed velocity at (i) large laser pulse intensities (resulting in short relaxation times on laser-on intervals) and (ii) excited state lifetimes long enough to permit efficient photoexcitation but still much shorter than laser-off intervals. A Brownian photomotor with optimized parameters is exemplified by a cylindrically shaped semiconductor nanocluster which moves directly along a polar substrate due to periodically photoinduced dipole moment (caused by the repetitive excited electron transitions to a non-resonant level of the nanocylinder surface impurity).

  9. Toying with Motion.

    Science.gov (United States)

    Galus, Pamela J.

    2002-01-01

    Presents a variety of activities that support the development of an understanding of Newton's laws of motion. Activities use toy cars, mobile roads, and a seat-of-nails. Includes a scoring rubric. (DDR)

  10. Projectile Motion Hoop Challenge

    Science.gov (United States)

    Jordan, Connor; Dunn, Amy; Armstrong, Zachary; Adams, Wendy K.

    2018-04-01

    Projectile motion is a common phenomenon that is used in introductory physics courses to help students understand motion in two dimensions. Authors have shared a range of ideas for teaching this concept and the associated kinematics in The Physics Teacher; however, the "Hoop Challenge" is a new setup not before described in TPT. In this article an experiment is illustrated to explore projectile motion in a fun and challenging manner that has been used with both high school and university students. With a few simple materials, students have a vested interest in being able to calculate the height of the projectile at a given distance from its launch site. They also have an exciting visual demonstration of projectile motion when the lab is over.

  11. Travelers' Health: Motion Sickness

    Science.gov (United States)

    ... sickness, especially when pregnant, menstruating, or on hormones. Race/ethnicity—Asians may be more susceptible to motion ... it, sitting in the front seat of a car or bus, sitting over the wing of an ...

  12. Dizziness and Motion Sickness

    Science.gov (United States)

    ... that extends into the inner ear can completely destroy both the hearing and equilibrium function of that ... motion sickness: •Do not read while traveling •Avoid sitting in the rear seat •Do not sit in ...

  13. Motion Sickness: First Aid

    Science.gov (United States)

    ... com. Accessed July 29, 2017. Priesol AJ. Motion sickness. https://www.uptodate.com/content/search. Accessed July 29, 2017. Brunette GW, et al. CDC Health Information for International Travel 2018. New York, N. ...

  14. Visual Motion Perception

    Science.gov (United States)

    1991-08-15

    displace- ment limit for motion in random dots," Vision Res., 24, 293-300. Pantie , A. & K. Turano (1986) "Direct comparisons of apparent motions...Hicks & AJ, Pantie (1978) "Apparent movement of successively generated subjec. uve figures," Perception, 7, 371-383. Ramachandran. V.S. & S.M. Anstis...thanks think deaf girl until world uncle flag home talk finish short thee our screwdiver sonry flower wrCstlir~g plan week wait accident guilty tree

  15. Coupled transverse motion

    International Nuclear Information System (INIS)

    Teng, L.C.

    1989-01-01

    The magnetic field in an accelerator or a storage ring is usually so designed that the horizontal (x) and the vertical (y) motions of an ion are uncoupled. However, because of imperfections in construction and alignment, some small coupling is unavoidable. In this lecture, we discuss in a general way what is known about the behaviors of coupled motions in two degrees-of-freedom. 11 refs., 6 figs

  16. Smoothing of respiratory motion traces for motion-compensated radiotherapy.

    Science.gov (United States)

    Ernst, Floris; Schlaefer, Alexander; Schweikard, Achim

    2010-01-01

    Aurora systems. The authors also showed that the proposed smoothing method can indeed be used to filter noise. The signal's jitter dropped by as much as 95% depending on the tracking system employed. Subsequently, the 3D prediction error (rms) for a prediction horizon of 150 ms on a synthetic signal dropped by up to 37% when using a normalized LMS prediction algorithm (nLMS2) and hardly changed when using a MULIN algorithm. When smoothing a real signal obtained in our laboratory, the improvement of prediction was similar: Up to 30% for both the nLMS2 and the best MULIN algorithm. The authors also found a noticeable increase in smoothness of the predicted signal, the relative jitter dropped by up to 95% on the real signal, and on the simulated signal. In conclusion, the authors can say that preprocessing of marker data is very useful in motion-compensated radiotherapy since the quality of prediction increases. This will result in better performance of the correlation model. As a side effect, since the prediction of a preprocessed signal is also less noisy, the authors expect less robot vibration resulting in better targeting accuracy and less strain on the robot gears.

  17. Smoothing of respiratory motion traces for motion-compensated radiotherapy

    International Nuclear Information System (INIS)

    Ernst, Floris; Schlaefer, Alexander; Schweikard, Achim

    2010-01-01

    exception of the FP5000 and the Aurora systems. The authors also showed that the proposed smoothing method can indeed be used to filter noise. The signal's jitter dropped by as much as 95% depending on the tracking system employed. Subsequently, the 3D prediction error (rms) for a prediction horizon of 150 ms on a synthetic signal dropped by up to 37% when using a normalized LMS prediction algorithm (nLMS 2 ) and hardly changed when using a MULIN algorithm. When smoothing a real signal obtained in our laboratory, the improvement of prediction was similar: Up to 30% for both the nLMS 2 and the best MULIN algorithm. The authors also found a noticeable increase in smoothness of the predicted signal, the relative jitter dropped by up to 95% on the real signal, and on the simulated signal. Conclusions: In conclusion, the authors can say that preprocessing of marker data is very useful in motion-compensated radiotherapy since the quality of prediction increases. This will result in better performance of the correlation model. As a side effect, since the prediction of a preprocessed signal is also less noisy, the authors expect less robot vibration resulting in better targeting accuracy and less strain on the robot gears.

  18. Orbit dynamics for unstable linear motion

    International Nuclear Information System (INIS)

    Parzen, G.

    1997-01-01

    A treatment is given of the orbit dynamics for linear unstable motion that allows for the zeros in the beta function and makes no assumptions about the realness of the betatron and phase functions. The phase shift per turn is shown to be related to the beta function and the number of zeros the beta function goes through per turn. The solutions of the equations of motion are found in terms of the beta function

  19. Orbit dynamics for unstable linear motion

    International Nuclear Information System (INIS)

    Parzen, G.

    1996-04-01

    A treatment is given of the orbit dynamics for linear unstable motion that allows for the zeros in the beta function and makes no assumption about the realness of the betatron and phase functions. The phase shift per turn is shown to be related to the beta function and the number of zeros the beta function goes through per turn. The solutions of the equations of motion are found in terms of the beta function

  20. 16O+16O molecular nature of the superdeformed band of 32S and the evolution of the molecular structure

    International Nuclear Information System (INIS)

    Kimura, Masaaki; Horiuchi, Hisashi

    2004-01-01

    The relation between the superdeformed band of 32 S and 16 O+ 16 O molecular bands is studied by the deformed-basis antisymmetrized molecular dynamics with the Gogny D1S force. It is found that the obtained superdeformed band members of S have a considerable amount of the 16 O+ 16 O component. Above the superdeformed band, we have obtained two excited rotational bands which have more prominent character of the 16 O+ 16 O molecular band. These three rotational bands are regarded as a series of 16 O+ 16 O molecular bands which were predicted by using the unique 16 O- 16 O optical potential. As the excitation energy and principal quantum number of the relative motion increase, the 16 O+ 16 O cluster structure becomes more prominent but at the same time, the band members are fragmented into several states