Note: Nonpolar solute partial molar volume response to attractive interactions with water

DOE Office of Scientific and Technical Information (OSTI.GOV)

Williams, Steven M.; Ashbaugh, Henry S., E-mail: hanka@tulane.edu

2014-01-07

The impact of attractive interactions on the partial molar volumes of methane-like solutes in water is characterized using molecular simulations. Attractions account for a significant 20% volume drop between a repulsive Weeks-Chandler-Andersen and full Lennard-Jones description of methane interactions. The response of the volume to interaction perturbations is characterized by linear fits to our simulations and a rigorous statistical thermodynamic expression for the derivative of the volume to increasing attractions. While a weak non-linear response is observed, an average effective slope accurately captures the volume decrease. This response, however, is anticipated to become more non-linear with increasing solute size.

Water on BN doped benzene: A hard test for exchange-correlation functionals and the impact of exact exchange on weak binding

DOE PAGES

Al-Hamdani, Yasmine S.; Alfè, Dario; von Lilienfeld, O. Anatole; ...

2014-10-22

Density functional theory (DFT) studies of weakly interacting complexes have recently focused on the importance of van der Waals dispersion forces, whereas the role of exchange has received far less attention. Here, by exploiting the subtle binding between water and a boron and nitrogen doped benzene derivative (1,2-azaborine) we show how exact exchange can alter the binding conformation within a complex. Benchmark values have been calculated for three orientations of the water monomer on 1,2-azaborine from explicitly correlated quantum chemical methods, and we have also used diffusion quantum Monte Carlo. For a host of popular DFT exchange-correlation functionals we showmore » that the lack of exact exchange leads to the wrong lowest energy orientation of water on 1,2-azaborine. As such, we suggest that a high proportion of exact exchange and the associated improvement in the electronic structure could be needed for the accurate prediction of physisorption sites on doped surfaces and in complex organic molecules. Meanwhile to predict correct absolute interaction energies an accurate description of exchange needs to be augmented by dispersion inclusive functionals, and certain non-local van der Waals functionals (optB88- and optB86b-vdW) perform very well for absolute interaction energies. Through a comparison with water on benzene and borazine (B₃N₃H₆) we show that these results could have implications for the interaction of water with doped graphene surfaces, and suggest a possible way of tuning the interaction energy.« less

Probing top-Z dipole moments at the LHC and ILC

DOE PAGES

Röntsch, Raoul; Schulze, Markus

2015-08-11

We investigate the weak electric and magnetic dipole moments of top quark-Z boson interactions at the Large Hadron Collider (LHC) and the International Linear Collider (ILC). Their vanishingly small magnitude in the Standard Model makes these couplings ideal for probing New Physics interactions and for exploring the role of top quarks in electroweak symmetry breaking. In our analysis, we consider the production of two top quarks in association with a Z boson at the LHC, and top quark pairs mediated by neutral gauge bosons at the ILC. These processes yield direct sensitivity to top quark-Z boson interactions and complement indirectmore » constraints from electroweak precision data. Our computation is accurate to next-to-leading order in QCD, we include the full decay chain of top quarks and the Z boson, and account for theoretical uncertainties in our constraints. Furthermore, we find that LHC experiments will soon be able to probe weak dipole moments for the first time.« less

Importance of σ Bonding Electrons for the Accurate Description of Electron Correlation in Graphene.

PubMed

Zheng, Huihuo; Gan, Yu; Abbamonte, Peter; Wagner, Lucas K

2017-10-20

Electron correlation in graphene is unique because of the interplay between the Dirac cone dispersion of π electrons and long-range Coulomb interaction. Because of the zero density of states at Fermi level, the random phase approximation predicts no metallic screening at long distance and low energy, so one might expect that graphene should be a poorly screened system. However, empirically graphene is a weakly interacting semimetal, which leads to the question of how electron correlations take place in graphene at different length scales. We address this question by computing the equal time and dynamic structure factor S(q) and S(q,ω) of freestanding graphene using ab initio fixed-node diffusion Monte Carlo simulations and the random phase approximation. We find that the σ electrons contribute strongly to S(q,ω) for relevant experimental values of ω even at distances up to around 80 Å. These findings illustrate how the emergent physics from underlying Coulomb interactions results in the observed weakly correlated semimetal.

Dissipative time-dependent quantum transport theory.

PubMed

Zhang, Yu; Yam, Chi Yung; Chen, GuanHua

2013-04-28

A dissipative time-dependent quantum transport theory is developed to treat the transient current through molecular or nanoscopic devices in presence of electron-phonon interaction. The dissipation via phonon is taken into account by introducing a self-energy for the electron-phonon coupling in addition to the self-energy caused by the electrodes. Based on this, a numerical method is proposed. For practical implementation, the lowest order expansion is employed for the weak electron-phonon coupling case and the wide-band limit approximation is adopted for device and electrodes coupling. The corresponding hierarchical equation of motion is derived, which leads to an efficient and accurate time-dependent treatment of inelastic effect on transport for the weak electron-phonon interaction. The resulting method is applied to a one-level model system and a gold wire described by tight-binding model to demonstrate its validity and the importance of electron-phonon interaction for the quantum transport. As it is based on the effective single-electron model, the method can be readily extended to time-dependent density functional theory.

SU(N ) fermions in a one-dimensional harmonic trap

NASA Astrophysics Data System (ADS)

Laird, E. K.; Shi, Z.-Y.; Parish, M. M.; Levinsen, J.

2017-09-01

We conduct a theoretical study of SU (N ) fermions confined by a one-dimensional harmonic potential. First, we introduce a numerical approach for solving the trapped interacting few-body problem, by which one may obtain accurate energy spectra across the full range of interaction strengths. In the strong-coupling limit, we map the SU (N ) Hamiltonian to a spin-chain model. We then show that an existing, extremely accurate ansatz—derived for a Heisenberg SU(2) spin chain—is extendable to these N -component systems. Lastly, we consider balanced SU (N ) Fermi gases that have an equal number of particles in each spin state for N =2 ,3 ,4 . In the weak- and strong-coupling regimes, we find that the ground-state energies rapidly converge to their expected values in the thermodynamic limit with increasing atom number. This suggests that the many-body energetics of N -component fermions may be accurately inferred from the corresponding few-body systems of N distinguishable particles.

Atoms and molecules in cavities, from weak to strong coupling in quantum-electrodynamics (QED) chemistry

PubMed Central

Flick, Johannes; Ruggenthaler, Michael; Appel, Heiko

2017-01-01

In this work, we provide an overview of how well-established concepts in the fields of quantum chemistry and material sciences have to be adapted when the quantum nature of light becomes important in correlated matter–photon problems. We analyze model systems in optical cavities, where the matter–photon interaction is considered from the weak- to the strong-coupling limit and for individual photon modes as well as for the multimode case. We identify fundamental changes in Born–Oppenheimer surfaces, spectroscopic quantities, conical intersections, and efficiency for quantum control. We conclude by applying our recently developed quantum-electrodynamical density-functional theory to spontaneous emission and show how a straightforward approximation accurately describes the correlated electron–photon dynamics. This work paves the way to describe matter–photon interactions from first principles and addresses the emergence of new states of matter in chemistry and material science. PMID:28275094

Fast Electron Correlation Methods for Molecular Clusters without Basis Set Superposition Errors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kamiya, Muneaki; Hirata, So; Valiev, Marat

2008-02-19

Two critical extensions to our fast, accurate, and easy-to-implement binary or ternary interaction method for weakly-interacting molecular clusters [Hirata et al. Mol. Phys. 103, 2255 (2005)] have been proposed, implemented, and applied to water hexamers, hydrogen fluoride chains and rings, and neutral and zwitterionic glycine–water clusters with an excellent result for an initial performance assessment. Our original method included up to two- or three-body Coulomb, exchange, and correlation energies exactly and higher-order Coulomb energies in the dipole–dipole approximation. In this work, the dipole moments are replaced by atom-centered point charges determined so that they reproduce the electrostatic potentials of themore » cluster subunits as closely as possible and also self-consistently with one another in the cluster environment. They have been shown to lead to dramatic improvement in the description of short-range electrostatic potentials not only of large, charge-separated subunits like zwitterionic glycine but also of small subunits. Furthermore, basis set superposition errors (BSSE) known to plague direct evaluation of weak interactions have been eliminated by com-bining the Valiron–Mayer function counterpoise (VMFC) correction with our binary or ternary interaction method in an economical fashion (quadratic scaling n2 with respect to the number of subunits n when n is small and linear scaling when n is large). A new variant of VMFC has also been proposed in which three-body and all higher-order Coulomb effects on BSSE are estimated approximately. The BSSE-corrected ternary interaction method with atom-centered point charges reproduces the VMFC-corrected results of conventional electron correlation calculations within 0.1 kcal/mol. The proposed method is significantly more accurate and also efficient than conventional correlation methods uncorrected of BSSE.« less

Engineering light emission of two-dimensional materials in both the weak and strong coupling regimes

NASA Astrophysics Data System (ADS)

Brotons-Gisbert, Mauro; Martínez-Pastor, Juan P.; Ballesteros, Guillem C.; Gerardot, Brian D.; Sánchez-Royo, Juan F.

2018-01-01

Two-dimensional (2D) materials have promising applications in optoelectronics, photonics, and quantum technologies. However, their intrinsically low light absorption limits their performance, and potential devices must be accurately engineered for optimal operation. Here, we apply a transfer matrix-based source-term method to optimize light absorption and emission in 2D materials and related devices in weak and strong coupling regimes. The implemented analytical model accurately accounts for experimental results reported for representative 2D materials such as graphene and MoS2. The model has been extended to propose structures to optimize light emission by exciton recombination in MoS2 single layers, light extraction from arbitrarily oriented dipole monolayers, and single-photon emission in 2D materials. Also, it has been successfully applied to retrieve exciton-cavity interaction parameters from MoS2 microcavity experiments. The present model appears as a powerful and versatile tool for the design of new optoelectronic devices based on 2D semiconductors such as quantum light sources and polariton lasers.

Including screening in van der Waals corrected density functional theory calculations: the case of atoms and small molecules physisorbed on graphene.

PubMed

Silvestrelli, Pier Luigi; Ambrosetti, Alberto

2014-03-28

The Density Functional Theory (DFT)/van der Waals-Quantum Harmonic Oscillator-Wannier function (vdW-QHO-WF) method, recently developed to include the vdW interactions in approximated DFT by combining the quantum harmonic oscillator model with the maximally localized Wannier function technique, is applied to the cases of atoms and small molecules (X=Ar, CO, H2, H2O) weakly interacting with benzene and with the ideal planar graphene surface. Comparison is also presented with the results obtained by other DFT vdW-corrected schemes, including PBE+D, vdW-DF, vdW-DF2, rVV10, and by the simpler Local Density Approximation (LDA) and semilocal generalized gradient approximation approaches. While for the X-benzene systems all the considered vdW-corrected schemes perform reasonably well, it turns out that an accurate description of the X-graphene interaction requires a proper treatment of many-body contributions and of short-range screening effects, as demonstrated by adopting an improved version of the DFT/vdW-QHO-WF method. We also comment on the widespread attitude of relying on LDA to get a rough description of weakly interacting systems.

Two spatial light modulator system for laboratory simulation of random beam propagation in random media.

PubMed

Wang, Fei; Toselli, Italo; Korotkova, Olga

2016-02-10

An optical system consisting of a laser source and two independent consecutive phase-only spatial light modulators (SLMs) is shown to accurately simulate a generated random beam (first SLM) after interaction with a stationary random medium (second SLM). To illustrate the range of possibilities, a recently introduced class of random optical frames is examined on propagation in free space and several weak turbulent channels with Kolmogorov and non-Kolmogorov statistics.

On the formation modes in vortex interaction for multiple co-axial co-rotating vortex rings

NASA Astrophysics Data System (ADS)

Qin, Suyang; Liu, Hong; Xiang, Yang

2018-01-01

Interaction among multiple vortices is of particular importance to biological locomotion. It plays an essential role in the force and energy capture. This study examines the motion and dynamics of multiple co-axial co-rotating vortex rings. The vortex rings, which have the same formation time, are successively generated in a piston-cylinder apparatus by accurately controlling the interval time. The flow fields are visualized by the finite-time Lyapunov exponent and then repelling Lagrangian coherent structures (r-LCSs) are determined. Two types of vortex interactions ("strong" and "weak") are defined by investigating the r-LCSs: a strong interaction is indicated by connected r-LCSs showing a channel for fluid transport (termed as a "flux window"); a weak interaction is indicated by disconnected r-LCSs between the vortex rings. For strong interaction, leapfrogging and merger of vortex rings can happen in the later stage of the evolution process; however, the rings are separated for weak interaction. Two distinct formation modes, the formation enhancement mode (FEM) and formation restraint mode (FRM), refer to the effect of one or multiple vortex ring(s) on the initial circulation of the subsequently formed vortex ring. In the FEM, the circulation of a vortex ring is larger than that of an isolated (without interaction) vortex ring. On the other hand, the situation is opposite in the FRM. A dimensionless number reflecting the interaction mechanism, "structure stretching number" S*, is proposed, which evaluates the induced effect of the wake vortices on the formation of a vortex ring. A limiting S* (SL*=(2 ±0.4 ) ×1 0-4) is the bifurcation point of the two formation modes. The augmentation of circulation reaches up to 10% for the FEM when S*SL*), the circulation decreases for at most 20%. The newly defined formation modes and number could shed light on the understanding of the dynamics of multiple vortex ring flows.

Accurate measurement in the field of the earth of the general-relativistic precession of the LAGEOS II pericenter and new constraints on non-newtonian gravity.

PubMed

Lucchesi, David M; Peron, Roberto

2010-12-03

The pericenter shift of a binary system represents a suitable observable to test for possible deviations from the newtonian inverse-square law in favor of new weak interactions between macroscopic objects. We analyzed 13 years of tracking data of the LAGEOS satellites with GEODYN II software but with no models for general relativity. From the fit of LAGEOS II pericenter residuals we have been able to obtain a 99.8% agreement with the predictions of Einstein's theory. This result may be considered as a 99.8% measurement in the field of the Earth of the combination of the γ and β parameters of general relativity, and it may be used to constrain possible deviations from the inverse-square law in favor of new weak interactions parametrized by a Yukawa-like potential with strength α and range λ. We obtained |α| ≲ 1 × 10(-11), a huge improvement at a range of about 1 Earth radius.

Mechanistic Insight into Nanoparticle Surface Adsorption by Solution NMR Spectroscopy in an Aqueous Gel

DOE Office of Scientific and Technical Information (OSTI.GOV)

Egner, Timothy K.; Naik, Pranjali; Nelson, Nicholas C.

Engineering nanoparticle (NP) functions at the molecular level requires a detailed understanding of the dynamic processes occurring at the NP surface. Herein we show that a combination of dark-state exchange saturation transfer (DEST) and relaxation dispersion (RD) NMR experiments on gel-stabilized NP samples enables the accurate determination of the kinetics and thermodynamics of adsorption. We used the former approach to describe the interaction of cholic acid (CA) and phenol (PhOH) with ceria NPs with a diameter of approximately 200 nm. Whereas CA formed weak interactions with the NPs, PhOH was tightly bound to the NP surface. Interestingly, we found thatmore » the adsorption of PhOH proceeds via an intermediate, weakly bound state in which the small molecule has residual degrees of rotational diffusion. Here we believe the use of aqueous gels for stabilizing NP samples will increase the applicability of solution NMR methods to the characterization of nanomaterials.« less

Mechanistic Insight into Nanoparticle Surface Adsorption by Solution NMR Spectroscopy in an Aqueous Gel

DOE PAGES

Egner, Timothy K.; Naik, Pranjali; Nelson, Nicholas C.; ...

2017-06-22

Engineering nanoparticle (NP) functions at the molecular level requires a detailed understanding of the dynamic processes occurring at the NP surface. Herein we show that a combination of dark-state exchange saturation transfer (DEST) and relaxation dispersion (RD) NMR experiments on gel-stabilized NP samples enables the accurate determination of the kinetics and thermodynamics of adsorption. We used the former approach to describe the interaction of cholic acid (CA) and phenol (PhOH) with ceria NPs with a diameter of approximately 200 nm. Whereas CA formed weak interactions with the NPs, PhOH was tightly bound to the NP surface. Interestingly, we found thatmore » the adsorption of PhOH proceeds via an intermediate, weakly bound state in which the small molecule has residual degrees of rotational diffusion. Here we believe the use of aqueous gels for stabilizing NP samples will increase the applicability of solution NMR methods to the characterization of nanomaterials.« less

Formation of H̅ in p̅-Ps collisions embedded in plasmas

NASA Astrophysics Data System (ADS)

Ratnavelu, Kuru; Ghoshal, Arijit; Nayek, Sujay; Bhattacharya, Arka; Mohamed Kamali, Mohd Zahurin

2016-04-01

Screening effects of plasmas on the formation of antihydrogen (H̅) in an arbitrary s-state from the ground state of the positronium atom (Ps) by antiproton (p̅) impact have been studied within the framework of charge-conjugation and time-reversal invariance. Two types of plasma environments have been considered, namely weakly coupled plasma and dense quantum plasma. For weakly coupled plasma, the interactions among the charged particles in plasma have been represented by Debye-Huckel screening model, whereas for dense quantum plasma, interactions among the charged particles in plasma have been represented by exponential cosine-screened Coulomb potentials. Effects of plasma screening on the antihydrogen formation cross section have been studied in the energy range 15-400 keV of incident antiproton. For the free atomic case, our results agree well with some of the most accurate results available in the literature. Contribution to the Topical Issue "Advances in Positron and Electron Scattering", edited by Paulo Limao-Vieira, Gustavo Garcia, E. Krishnakumar, James Sullivan, Hajime Tanuma and Zoran Petrovic.

The breakdown of the weakly-nonlinear regime for kinetic instabilities

NASA Astrophysics Data System (ADS)

Sanz-Orozco, David; Berk, Herbert; Wang, Ge

2017-10-01

The evolution of marginally-unstable waves that interact resonantly with populations of energetic particles is governed by a well-known cubic integro-differential equation for the mode amplitude. One of the outcomes predicted by the equation is the so-called ``explosive'' regime, where the amplitude grows indefinitely, eventually taking the equation outside of its domain of validity. Beyond this point, only full Vlasov simulations will accurately describe the evolution of the mode amplitude. In this work, we study the breakdown of the cubic equation in detail. We find that, while the cubic equation is still valid, the distribution function of the energetic particles locally flattens or ``folds'' in phase space. This feature is unexpected in view of the assumptions of the theory that are given in. We also derive fifth-order terms in the wave equation, which not only give us a more accurate description of the marginally-unstable modes, but they also allow us to predict the breakdown of the cubic equation. Our findings allow us to better understand the transition between weakly-nonlinear modes and the long-term chirping modes that ultimately emerge.

Problems in Nonlinear Acoustics: Parametric Receiving Arrays, Focused Finite Amplitude Sound, & Noncollinear Tone-Noise Interactions

DTIC Science & Technology

1987-07-01

fields (see also Chapter 4 of Ref. 22). Like our investigation, theirs is based on the Khokhlov-Zabolotskaya-Kuznetsov ( KZK ) equa- tion [23,24...25,26], also based on the KZK e(iualiou, is limited to weakly nonlinear systems. However, the practical case of a focused circular source with gain of...iment. The demonstrated abihty of the KZK equation to accurately model focused sound fields from reahstic sources [i.e., having abrupt edges and

A weak-coupling immersed boundary method for fluid-structure interaction with low density ratio of solid to fluid

NASA Astrophysics Data System (ADS)

Kim, Woojin; Lee, Injae; Choi, Haecheon

2018-04-01

We present a weak-coupling approach for fluid-structure interaction with low density ratio (ρ) of solid to fluid. For accurate and stable solutions, we introduce predictors, an explicit two-step method and the implicit Euler method, to obtain provisional velocity and position of fluid-structure interface at each time step, respectively. The incompressible Navier-Stokes equations, together with these provisional velocity and position at the fluid-structure interface, are solved in an Eulerian coordinate using an immersed-boundary finite-volume method on a staggered mesh. The dynamic equation of an elastic solid-body motion, together with the hydrodynamic force at the provisional position of the interface, is solved in a Lagrangian coordinate using a finite element method. Each governing equation for fluid and structure is implicitly solved using second-order time integrators. The overall second-order temporal accuracy is preserved even with the use of lower-order predictors. A linear stability analysis is also conducted for an ideal case to find the optimal explicit two-step method that provides stable solutions down to the lowest density ratio. With the present weak coupling, three different fluid-structure interaction problems were simulated: flows around an elastically mounted rigid circular cylinder, an elastic beam attached to the base of a stationary circular cylinder, and a flexible plate, respectively. The lowest density ratios providing stable solutions are searched for the first two problems and they are much lower than 1 (ρmin = 0.21 and 0.31, respectively). The simulation results agree well with those from strong coupling suggested here and also from previous numerical and experimental studies, indicating the efficiency and accuracy of the present weak coupling.

A computationally efficient modelling of laminar separation bubbles

NASA Technical Reports Server (NTRS)

Dini, Paolo; Maughmer, Mark D.

1989-01-01

The goal is to accurately predict the characteristics of the laminar separation bubble and its effects on airfoil performance. Toward this end, a computational model of the separation bubble was developed and incorporated into the Eppler and Somers airfoil design and analysis program. Thus far, the focus of the research was limited to the development of a model which can accurately predict situations in which the interaction between the bubble and the inviscid velocity distribution is weak, the so-called short bubble. A summary of the research performed in the past nine months is presented. The bubble model in its present form is then described. Lastly, the performance of this model in predicting bubble characteristics is shown for a few cases.

How Accurate Are the Minnesota Density Functionals for Noncovalent Interactions, Isomerization Energies, Thermochemistry, and Barrier Heights Involving Molecules Composed of Main-Group Elements?

DOE PAGES

Mardirossian, Narbe; Head-Gordon, Martin

2016-08-18

The 14 Minnesota density functionals published between the years 2005 and early 2016 are benchmarked on a comprehensive database of 4986 data points (84 data sets) involving molecules composed of main-group elements. The database includes noncovalent interactions, isomerization energies, thermochemistry, and barrier heights, as well as equilibrium bond lengths and equilibrium binding energies of noncovalent dimers. Additionally, the sensitivity of the Minnesota density functionals to the choice of basis set and integration grid is explored for both noncovalent interactions and thermochemistry. By and large, the main strength of the hybrid Minnesota density functionals is that the best ones provide verymore » good performance for thermochemistry (e.g., M06-2X), barrier heights (e.g., M08-HX, M08-SO, MN15), and systems heavily characterized by self-interaction error (e.g., M06-2X, M08-HX, M08-SO, MN15), while the main weakness is that none of them are state-of-the-art for the full spectrum of noncovalent interactions and isomerization energies (although M06-2X is recommended from the 10 hybrid Minnesota functionals). Similarly, the main strength of the local Minnesota density functionals is that the best ones provide very good performance for thermochemistry (e.g., MN15-L), barrier heights (e.g., MN12-L), and systems heavily characterized by self-interaction error (e.g., MN12-L and MN15-L), while the main weakness is that none of them are state-of-the-art for the full spectrum of noncovalent interactions and isomerization energies (although M06-L is clearly the best from the four local Minnesota functionals). Finally, as an overall guide, M06-2X and MN15 are perhaps the most broadly useful hybrid Minnesota functionals, while M06-L and MN15-L are perhaps the most broadly useful local Minnesota functionals, although each has different strengths and weaknesses.« less

Measuring three-dimensional interaction potentials using optical interference.

PubMed

Mojarad, Nassir; Sandoghdar, Vahid; Krishnan, Madhavi

2013-04-22

We describe the application of three-dimensional (3D) scattering interferometric (iSCAT) imaging to the measurement of spatial interaction potentials for nano-objects in solution. We study electrostatically trapped gold particles in a nanofluidic device and present details on axial particle localization in the presence of a strongly reflecting interface. Our results demonstrate high-speed (~kHz) particle tracking with subnanometer localization precision in the axial and average 2.5 nm in the lateral dimension. A comparison of the measured levitation heights of trapped particles with the calculated values for traps of various geometries reveals good agreement. Our work demonstrates that iSCAT imaging delivers label-free, high-speed and accurate 3D tracking of nano-objects conducive to probing weak and long-range interaction potentials in solution.

Monoclonal Antibodies Attached to Carbon Nanotube Transistors for Paclitaxel Detection

NASA Astrophysics Data System (ADS)

Lee, Wonbae; Lau, Calvin; Richardson, Mark; Rajapakse, Arith; Weiss, Gregory; Collins, Philip; UCI, Molecular Biology; Biochemistry Collaboration; UCI, Departments of Physics; Astronomy Collaboration

Paclitaxel is a naturally-occurring pharmaceutical used in numerous cancer treatments, despite its toxic side effects. Partial inhibition of this toxicity has been demonstrated using weakly interacting monoclonal antibodies (3C6 and 8A10), but accurate monitoring of antibody and paclitaxel concentrations remains challenging. Here, single-molecule studies of the kinetics of antibody-paclitaxel interactions have been performed using single-walled carbon nanotube field-effect transistors. The devices were sensitized with single antibody attachments to record the single-molecule binding dynamics of paclitaxel. This label-free technique recorded a range of dynamic interactions between the antibody and paclitaxel, and it provided sensitive paclitaxel detection for pM to nM concentrations. Measurements with two different antibodies suggest ways of extending this working range and uncovering the mechanistic differences among different antibodies.

Neutron Measurements and the Weak Nucleon-Nucleon Interaction

PubMed Central

Snow, W. M.

2005-01-01

The weak interaction between nucleons remains one of the most poorly-understood sectors of the Standard Model. A quantitative description of this interaction is needed to understand weak interaction phenomena in atomic, nuclear, and hadronic systems. This paper summarizes briefly what is known about the weak nucleon-nucleon interaction, tries to place this phenomenon in the context of other studies of the weak and strong interactions, and outlines a set of measurements involving low energy neutrons which can lead to significant experimental progress. PMID:27308120

Astrophysical neutrino production diagnostics with the Glashow resonance

NASA Astrophysics Data System (ADS)

Biehl, Daniel; Fedynitch, Anatoli; Palladino, Andrea; Weiler, Tom J.; Winter, Walter

2017-01-01

We study the Glashow resonance bar nue + e- → W- → hadrons at 6.3 PeV as diagnostic of the production processes of ultra-high energy neutrinos. The focus lies on describing the physics of neutrino production from pion decay as accurate as possible by including the kinematics of weak decays and Monte Carlo simulations of pp and pγ interactions. We discuss optically thick (to photohadronic interactions) sources, sources of cosmic ray ``nuclei'' and muon damped sources. Even in the proposed upgrade IceCube-Gen2, a discrimination of scenarios such as pp versus pγ is extremely challenging under realistic assumptions. Nonetheless, the Glashow resonance can serve as a smoking gun signature of neutrino production from photohadronic (Aγ) interactions of heavier nuclei, as the expected Glashow event rate exceeds that of pp interactions. We finally quantify the exposures for which the non-observation of Glashow events exerts pressure on certain scenarios.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Biehl, Daniel; Fedynitch, Anatoli; Winter, Walter

We study the Glashow resonance ν-bar {sub e} + e {sup −} → W {sup −} → hadrons at 6.3 PeV as diagnostic of the production processes of ultra-high energy neutrinos. The focus lies on describing the physics of neutrino production from pion decay as accurate as possible by including the kinematics of weak decays and Monte Carlo simulations of pp and pγ interactions. We discuss optically thick (to photohadronic interactions) sources, sources of cosmic ray ''nuclei'' and muon damped sources. Even in the proposed upgrade IceCube-Gen2, a discrimination of scenarios such as pp versus pγ is extremely challenging undermore » realistic assumptions. Nonetheless, the Glashow resonance can serve as a smoking gun signature of neutrino production from photohadronic (Aγ) interactions of heavier nuclei, as the expected Glashow event rate exceeds that of pp interactions. We finally quantify the exposures for which the non-observation of Glashow events exerts pressure on certain scenarios.« less

Direct measurement of additional Ar-H2O vibration-rotation-tunneling bands in the millimeter-submillimeter range

NASA Astrophysics Data System (ADS)

Zou, Luyao; Widicus Weaver, Susanna L.

2016-06-01

Three new weak bands of the Ar-H2O vibration-rotation-tunneling spectrum have been measured in the millimeter wavelength range. These bands were predicted from combination differences based on previously measured bands in the submillimeter region. Two previously reported submillimeter bands were also remeasured with higher frequency resolution. These new measurements allow us to obtain accurate information on the Coriolis interaction between the 101 and 110 states. Here we report these results and the associated improved molecular constants.

s -wave scattering length of a Gaussian potential

NASA Astrophysics Data System (ADS)

Jeszenszki, Peter; Cherny, Alexander Yu.; Brand, Joachim

2018-04-01

We provide accurate expressions for the s -wave scattering length for a Gaussian potential well in one, two, and three spatial dimensions. The Gaussian potential is widely used as a pseudopotential in the theoretical description of ultracold-atomic gases, where the s -wave scattering length is a physically relevant parameter. We first describe a numerical procedure to compute the value of the s -wave scattering length from the parameters of the Gaussian, but find that its accuracy is limited in the vicinity of singularities that result from the formation of new bound states. We then derive simple analytical expressions that capture the correct asymptotic behavior of the s -wave scattering length near the bound states. Expressions that are increasingly accurate in wide parameter regimes are found by a hierarchy of approximations that capture an increasing number of bound states. The small number of numerical coefficients that enter these expressions is determined from accurate numerical calculations. The approximate formulas combine the advantages of the numerical and approximate expressions, yielding an accurate and simple description from the weakly to the strongly interacting limit.

An improved method for pancreas segmentation using SLIC and interactive region merging

NASA Astrophysics Data System (ADS)

Zhang, Liyuan; Yang, Huamin; Shi, Weili; Miao, Yu; Li, Qingliang; He, Fei; He, Wei; Li, Yanfang; Zhang, Huimao; Mori, Kensaku; Jiang, Zhengang

2017-03-01

Considering the weak edges in pancreas segmentation, this paper proposes a new solution which integrates more features of CT images by combining SLIC superpixels and interactive region merging. In the proposed method, Mahalanobis distance is first utilized in SLIC method to generate better superpixel images. By extracting five texture features and one gray feature, the similarity measure between two superpixels becomes more reliable in interactive region merging. Furthermore, object edge blocks are accurately addressed by re-segmentation merging process. Applying the proposed method to four cases of abdominal CT images, we segment pancreatic tissues to verify the feasibility and effectiveness. The experimental results show that the proposed method can make segmentation accuracy increase to 92% on average. This study will boost the application process of pancreas segmentation for computer-aided diagnosis system.

The 2ν6/ν2 + ν3/ν3 + ν5 band system of CH3Br revisited: Modeling anharmonic and Coriolis interactions in a three-level system near 2000 cm-1

NASA Astrophysics Data System (ADS)

Ceausu-Velcescu, Adina; Kwabia Tchana, Fridolin; Landsheere, Xavier

2018-06-01

The 2ν6 (A1 + E)/ν2 + ν3 (A1)/ν3 + ν5 (E) band system of CH3Br, near 2000 cm-1, has been studied, for both 79Br and 81Br isotopologues, using Fourier transform infrared spectroscopy, with a resolution of 0.003 cm-1. This band system, revealing anharmonic (Δk = Δl = 0) and Coriolis (Δk = Δl = ± 1) interactions, has been analyzed through a least-squares fit of more than 3000 transitions, for each isotopologue. More than 600 transitions belonging to the very weak ν3 + ν5 combination band were assigned for the first time, for both CH379Br and CH381Br isotopologues. Assignments of the weak 2 ν60 parallel band, which is Fermi-interacting with ν2 + ν3, were also considerably extended with respect to a previous high-resolution study (Najib et al., 1985), thanks to a more accurate knowledge of the Fermi coupling parameters and of the relative positions of the interacting levels. The least-squares fits provided quantitative reproduction of all data belonging to the four above mentioned bands. Moreover, the Coriolis coupling parameters obtained for the ν2 + ν3/ν3 + ν5 interacting bands show a remarkable consistency with those obtained for the ν2/ν5 'fundamental' system (Kwabia Tchana et al., 2004).

Investigating the Effects of the Interaction Intensity in a Weak Measurement.

PubMed

Piacentini, Fabrizio; Avella, Alessio; Gramegna, Marco; Lussana, Rudi; Villa, Federica; Tosi, Alberto; Brida, Giorgio; Degiovanni, Ivo Pietro; Genovese, Marco

2018-05-03

Measurements are crucial in quantum mechanics, for fundamental research as well as for applicative fields like quantum metrology, quantum-enhanced measurements and other quantum technologies. In the recent years, weak-interaction-based protocols like Weak Measurements and Protective Measurements have been experimentally realized, showing peculiar features leading to surprising advantages in several different applications. In this work we analyze the validity range for such measurement protocols, that is, how the interaction strength affects the weak value extraction, by measuring different polarization weak values on heralded single photons. We show that, even in the weak interaction regime, the coupling intensity limits the range of weak values achievable, setting a threshold on the signal amplification effect exploited in many weak measurement based experiments.

Attraction between Opposing Planar Dipolar Polymer Brushes

DOE PAGES

Mahalik, J. P.; Sumpter, Bobby G.; Kumar, Rajeev

2017-08-01

In this paper, we use a field theory approach to study the effects of permanent dipoles on interpenetration and free energy changes as a function of distance between two identical planar polymer brushes. Melts (i.e., solvent-free) and solvated brushes made up of polymers grafted on nonadsorbing substrates are studied. In particular, the weak coupling limit of the dipolar interactions is considered, which leads to concentration-dependent pairwise interactions, and the effects of orientational order are neglected. It is predicted that a gradual increase in the dipole moment of the polymer segments can lead to attractive interactions between the brushes at intermediatemore » separation distances. Finally, because classical theory of polymer brushes based on the strong stretching limit (SSL) and the standard self-consistent field theory (SCFT) simulations using the Flory’s χ parameter always predicts repulsive interactions at all separations, our work highlights the importance of dipolar interactions in tailoring and accurately predicting forces between polar polymeric interfaces in contact with each other.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mahalik, J. P.; Sumpter, Bobby G.; Kumar, Rajeev

In this paper, we use a field theory approach to study the effects of permanent dipoles on interpenetration and free energy changes as a function of distance between two identical planar polymer brushes. Melts (i.e., solvent-free) and solvated brushes made up of polymers grafted on nonadsorbing substrates are studied. In particular, the weak coupling limit of the dipolar interactions is considered, which leads to concentration-dependent pairwise interactions, and the effects of orientational order are neglected. It is predicted that a gradual increase in the dipole moment of the polymer segments can lead to attractive interactions between the brushes at intermediatemore » separation distances. Finally, because classical theory of polymer brushes based on the strong stretching limit (SSL) and the standard self-consistent field theory (SCFT) simulations using the Flory’s χ parameter always predicts repulsive interactions at all separations, our work highlights the importance of dipolar interactions in tailoring and accurately predicting forces between polar polymeric interfaces in contact with each other.« less

Weak interactions, omnivory and emergent food-web properties.

PubMed

Emmerson, Mark; Yearsley, Jon M

2004-02-22

Empirical studies have shown that, in real ecosystems, species-interaction strengths are generally skewed in their distribution towards weak interactions. Some theoretical work also suggests that weak interactions, especially in omnivorous links, are important for the local stability of a community at equilibrium. However, the majority of theoretical studies use uniform distributions of interaction strengths to generate artificial communities for study. We investigate the effects of the underlying interaction-strength distribution upon the return time, permanence and feasibility of simple Lotka-Volterra equilibrium communities. We show that a skew towards weak interactions promotes local and global stability only when omnivory is present. It is found that skewed interaction strengths are an emergent property of stable omnivorous communities, and that this skew towards weak interactions creates a dynamic constraint maintaining omnivory. Omnivory is more likely to occur when omnivorous interactions are skewed towards weak interactions. However, a skew towards weak interactions increases the return time to equilibrium, delays the recovery of ecosystems and hence decreases the stability of a community. When no skew is imposed, the set of stable omnivorous communities shows an emergent distribution of skewed interaction strengths. Our results apply to both local and global concepts of stability and are robust to the definition of a feasible community. These results are discussed in the light of empirical data and other theoretical studies, in conjunction with their broader implications for community assembly.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Yujie; Gong, Sha; Wang, Zhen

The thermodynamic and kinetic parameters of an RNA base pair were obtained through a long-time molecular dynamics simulation of the opening-closing switch process of the base pair near its melting temperature. The thermodynamic parameters were in good agreement with the nearest-neighbor model. The opening rates showed strong temperature dependence, however, the closing rates showed only weak temperature dependence. The transition path time was weakly temperature dependent and was insensitive to the energy barrier. The diffusion constant exhibited super-Arrhenius behavior. The free energy barrier of breaking a single base stack results from the enthalpy increase, ΔH, caused by the disruption ofmore » hydrogen bonding and base-stacking interactions. The free energy barrier of base pair closing comes from the unfavorable entropy loss, ΔS, caused by the restriction of torsional angles. These results suggest that a one-dimensional free energy surface is sufficient to accurately describe the dynamics of base pair opening and closing, and the dynamics are Brownian.« less

Non-canonical distribution and non-equilibrium transport beyond weak system-bath coupling regime: A polaron transformation approach

NASA Astrophysics Data System (ADS)

Xu, Dazhi; Cao, Jianshu

2016-08-01

The concept of polaron, emerged from condense matter physics, describes the dynamical interaction of moving particle with its surrounding bosonic modes. This concept has been developed into a useful method to treat open quantum systems with a complete range of system-bath coupling strength. Especially, the polaron transformation approach shows its validity in the intermediate coupling regime, in which the Redfield equation or Fermi's golden rule will fail. In the polaron frame, the equilibrium distribution carried out by perturbative expansion presents a deviation from the canonical distribution, which is beyond the usual weak coupling assumption in thermodynamics. A polaron transformed Redfield equation (PTRE) not only reproduces the dissipative quantum dynamics but also provides an accurate and efficient way to calculate the non-equilibrium steady states. Applications of the PTRE approach to problems such as exciton diffusion, heat transport and light-harvesting energy transfer are presented.

Atomic detail brownian dynamics simulations of concentrated protein solutions with a mean field treatment of hydrodynamic interactions.

PubMed

Mereghetti, Paolo; Wade, Rebecca C

2012-07-26

High macromolecular concentrations are a distinguishing feature of living organisms. Understanding how the high concentration of solutes affects the dynamic properties of biological macromolecules is fundamental for the comprehension of biological processes in living systems. In this paper, we describe the implementation of mean field models of translational and rotational hydrodynamic interactions into an atomically detailed many-protein brownian dynamics simulation method. Concentrated solutions (30-40% volume fraction) of myoglobin, hemoglobin A, and sickle cell hemoglobin S were simulated, and static structure factors, oligomer formation, and translational and rotational self-diffusion coefficients were computed. Good agreement of computed properties with available experimental data was obtained. The results show the importance of both solvent mediated interactions and weak protein-protein interactions for accurately describing the dynamics and the association properties of concentrated protein solutions. Specifically, they show a qualitative difference in the translational and rotational dynamics of the systems studied. Although the translational diffusion coefficient is controlled by macromolecular shape and hydrodynamic interactions, the rotational diffusion coefficient is affected by macromolecular shape, direct intermolecular interactions, and both translational and rotational hydrodynamic interactions.

Implications of Weak Link Effects on Thermal Characteristics of Transition-Edge Sensors

NASA Technical Reports Server (NTRS)

Bailey, Catherine

2011-01-01

Weak link behavior in transition-edge sensor (TES) devices creates the need for a more careful characterization of a device's thermal characteristics through its transition. This is particularly true for small TESs where a small change in the measurement current results in large changes in temperature. A highly current-dependent transition shape makes accurate thermal characterization of the TES parameters through the transition challenging. To accurately interpret measurements, especially complex impedance, it is crucial to know the temperature-dependent thermal conductance, G(T), and heat capacity, C(T), at each point through the transition. We will present data illustrating these effects and discuss how we overcome the challenges that are present in accurately determining G and T from IV curves. We will also show how these weak link effects vary with TES size.

Deposition kinetics of colloidal particles at high ionic strengths

NASA Astrophysics Data System (ADS)

Cejas, Cesare; Monti, Fabrice; Truchet, Marine; Burnouf, Jean-Pierre; Tabeling, Patrick

Using microfluidic experiments, we describe the deposition of a fluid suspension of weakly brownian particles transported in a straight channel at small Reynolds numbers under conditions of high ionic strengths. Our studies fall in a regime where electrostatic interactions are neglected and particle-wall van der Waals interactions govern the deposition mechanism on channel walls. We calculate the deposition kinetics analytically for a wide range of physical parameters. We find that the theory agrees with numerical Langevin simulations, which both confirm the experimental results. From this analysis, we demonstrate a universal dimensionless deposition function described by contributions from advection-diffusion transport and adhesion interactions (Hamaker constant). Results show that we accurately confirm the theoretical expression for the deposition kinetics. From a surface science perspective, working in the van der Waals regime enables to measure the Hamaker constant, a task that would take much longer to perform with the standard AFM. Funding from Sanofi Recherche and ESPCI.

High precision analytical description of the allowed β spectrum shape

NASA Astrophysics Data System (ADS)

Hayen, Leendert; Severijns, Nathal; Bodek, Kazimierz; Rozpedzik, Dagmara; Mougeot, Xavier

2018-01-01

A fully analytical description of the allowed β spectrum shape is given in view of ongoing and planned measurements. Its study forms an invaluable tool in the search for physics beyond the standard electroweak model and the weak magnetism recoil term. Contributions stemming from finite size corrections, mass effects, and radiative corrections are reviewed. Particular focus is placed on atomic and chemical effects, where the existing description is extended and analytically provided. The effects of QCD-induced recoil terms are discussed, and cross-checks were performed for different theoretical formalisms. Special attention was given to a comparison of the treatment of nuclear structure effects in different formalisms. Corrections were derived for both Fermi and Gamow-Teller transitions, and methods of analytical evaluation thoroughly discussed. In its integrated form, calculated f values were in agreement with the most precise numerical results within the aimed for precision. The need for an accurate evaluation of weak magnetism contributions was stressed, and the possible significance of the oft-neglected induced pseudoscalar interaction was noted. Together with improved atomic corrections, an analytical description was presented of the allowed β spectrum shape accurate to a few parts in 10-4 down to 1 keV for low to medium Z nuclei, thereby extending the work by previous authors by nearly an order of magnitude.

Dark-matter particles without weak-scale masses or weak interactions.

PubMed

Feng, Jonathan L; Kumar, Jason

2008-12-05

We propose that dark matter is composed of particles that naturally have the correct thermal relic density, but have neither weak-scale masses nor weak interactions. These models emerge naturally from gauge-mediated supersymmetry breaking, where they elegantly solve the dark-matter problem. The framework accommodates single or multiple component dark matter, dark-matter masses from 10 MeV to 10 TeV, and interaction strengths from gravitational to strong. These candidates enhance many direct and indirect signals relative to weakly interacting massive particles and have qualitatively new implications for dark-matter searches and cosmological implications for colliders.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Al-Hamdani, Yasmine S.; Alfè, Dario; von Lilienfeld, O. Anatole

Density functional theory (DFT) studies of weakly interacting complexes have recently focused on the importance of van der Waals dispersion forces, whereas the role of exchange has received far less attention. Here, by exploiting the subtle binding between water and a boron and nitrogen doped benzene derivative (1,2-azaborine) we show how exact exchange can alter the binding conformation within a complex. Benchmark values have been calculated for three orientations of the water monomer on 1,2-azaborine from explicitly correlated quantum chemical methods, and we have also used diffusion quantum Monte Carlo. For a host of popular DFT exchange-correlation functionals we showmore » that the lack of exact exchange leads to the wrong lowest energy orientation of water on 1,2-azaborine. As such, we suggest that a high proportion of exact exchange and the associated improvement in the electronic structure could be needed for the accurate prediction of physisorption sites on doped surfaces and in complex organic molecules. Meanwhile to predict correct absolute interaction energies an accurate description of exchange needs to be augmented by dispersion inclusive functionals, and certain non-local van der Waals functionals (optB88- and optB86b-vdW) perform very well for absolute interaction energies. Through a comparison with water on benzene and borazine (B₃N₃H₆) we show that these results could have implications for the interaction of water with doped graphene surfaces, and suggest a possible way of tuning the interaction energy.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Al-Hamdani, Yasmine S.; Michaelides, Angelos, E-mail: angelos.michaelides@ucl.ac.uk; Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ

Density functional theory (DFT) studies of weakly interacting complexes have recently focused on the importance of van der Waals dispersion forces, whereas the role of exchange has received far less attention. Here, by exploiting the subtle binding between water and a boron and nitrogen doped benzene derivative (1,2-azaborine) we show how exact exchange can alter the binding conformation within a complex. Benchmark values have been calculated for three orientations of the water monomer on 1,2-azaborine from explicitly correlated quantum chemical methods, and we have also used diffusion quantum Monte Carlo. For a host of popular DFT exchange-correlation functionals we showmore » that the lack of exact exchange leads to the wrong lowest energy orientation of water on 1,2-azaborine. As such, we suggest that a high proportion of exact exchange and the associated improvement in the electronic structure could be needed for the accurate prediction of physisorption sites on doped surfaces and in complex organic molecules. Meanwhile to predict correct absolute interaction energies an accurate description of exchange needs to be augmented by dispersion inclusive functionals, and certain non-local van der Waals functionals (optB88- and optB86b-vdW) perform very well for absolute interaction energies. Through a comparison with water on benzene and borazine (B{sub 3}N{sub 3}H{sub 6}) we show that these results could have implications for the interaction of water with doped graphene surfaces, and suggest a possible way of tuning the interaction energy.« less

Density functional theory versus quantum Monte Carlo simulations of Fermi gases in the optical-lattice arena★

NASA Astrophysics Data System (ADS)

Pilati, Sebastiano; Zintchenko, Ilia; Troyer, Matthias; Ancilotto, Francesco

2018-04-01

We benchmark the ground state energies and the density profiles of atomic repulsive Fermi gases in optical lattices (OLs) computed via density functional theory (DFT) against the results of diffusion Monte Carlo (DMC) simulations. The main focus is on a half-filled one-dimensional OLs, for which the DMC simulations performed within the fixed-node approach provide unbiased results. This allows us to demonstrate that the local spin-density approximation (LSDA) to the exchange-correlation functional of DFT is very accurate in the weak and intermediate interactions regime, and also to underline its limitations close to the strongly-interacting Tonks-Girardeau limit and in very deep OLs. We also consider a three-dimensional OL at quarter filling, showing also in this case the high accuracy of the LSDA in the moderate interaction regime. The one-dimensional data provided in this study may represent a useful benchmark to further develop DFT methods beyond the LSDA and they will hopefully motivate experimental studies to accurately measure the equation of state of Fermi gases in higher-dimensional geometries. Supplementary material in the form of one pdf file available from the Journal web page at http://https://doi.org/10.1140/epjb/e2018-90021-1.

Interactions of the hepatitis C virus protease inhibitor faldaprevir with cytochrome P450 enzymes: in vitro and in vivo correlation.

PubMed

Sabo, John P; Kort, Jens; Ballow, Charles; Kashuba, Angela D M; Haschke, Manuel; Battegay, Manuel; Girlich, Birgit; Ting, Naitee; Lang, Benjamin; Zhang, Wei; Cooper, Curtis; O'Brien, Drané; Seibert, Eleanore; Chan, Tom S; Tweedie, Donald; Li, Yongmei

2015-04-01

The potential inhibition of the major human cytochrome P450 (CYP) enzymes by faldaprevir was evaluated both in vitro and in clinical studies (healthy volunteers and hepatitis C virus [HCV] genotype 1-infected patients). In vitro studies indicated that faldaprevir inhibited CYP2B6, CYP2C9, and CYP3A, and was a weak-to-moderate inactivator of CYP3A4. Faldaprevir 240 mg twice daily in healthy volunteers demonstrated moderate inhibition of hepatic and intestinal CYP3A (oral midazolam: 2.96-fold increase in AUC(0-24 h)), weak inhibition of hepatic CYP3A (intravenous midazolam: 1.56-fold increase in AUC(0-24 h)), weak inhibition of CYP2C9 ([S]-warfarin: 1.29-fold increase in AUC(0-120 h)), and had no relevant effects on CYP1A2, CYP2B6, or CYP2D6. Faldaprevir 120 mg once daily in HCV-infected patients demonstrated weak inhibition of hepatic and intestinal CYP3A (oral midazolam: 1.52-fold increase in AUC(0-∞)), and had no relevant effects on CYP2C9 or CYP1A2. In vitro drug-drug interaction predictions based on inhibitor concentration ([I])/inhibition constant (Ki) ratios tended to overestimate clinical effects and a net-effect model provided a more accurate approach. These studies suggest that faldaprevir shows a dose-dependent inhibition of CYP3A and CYP2C9, and does not induce CYP isoforms. © 2015, The American College of Clinical Pharmacology.

Constraints on the dark matter and dark energy interactions from weak lensing bispectrum tomography

DOE Office of Scientific and Technical Information (OSTI.GOV)

An, Rui; Feng, Chang; Wang, Bin, E-mail: an_rui@sjtu.edu.cn, E-mail: chang.feng@uci.edu, E-mail: wang_b@sjtu.edu.cn

We estimate uncertainties of cosmological parameters for phenomenological interacting dark energy models using weak lensing convergence power spectrum and bispectrum. We focus on the bispectrum tomography and examine how well the weak lensing bispectrum with tomography can constrain the interactions between dark sectors, as well as other cosmological parameters. Employing the Fisher matrix analysis, we forecast parameter uncertainties derived from weak lensing bispectra with a two-bin tomography and place upper bounds on strength of the interactions between the dark sectors. The cosmic shear will be measured from upcoming weak lensing surveys with high sensitivity, thus it enables us to usemore » the higher order correlation functions of weak lensing to constrain the interaction between dark sectors and will potentially provide more stringent results with other observations combined.« less

Visualizing an ultra-weak protein-protein interaction in phosphorylation signaling.

PubMed

Xing, Qiong; Huang, Peng; Yang, Ju; Sun, Jian-Qiang; Gong, Zhou; Dong, Xu; Guo, Da-Chuan; Chen, Shao-Min; Yang, Yu-Hong; Wang, Yan; Yang, Ming-Hui; Yi, Ming; Ding, Yi-Ming; Liu, Mai-Li; Zhang, Wei-Ping; Tang, Chun

2014-10-20

Proteins interact with each other to fulfill their functions. The importance of weak protein-protein interactions has been increasingly recognized. However, owing to technical difficulties, ultra-weak interactions remain to be characterized. Phosphorylation can take place via a K(D)≈25 mM interaction between two bacterial enzymes. Using paramagnetic NMR spectroscopy and with the introduction of a novel Gd(III)-based probe, we determined the structure of the resulting complex to atomic resolution. The structure accounts for the mechanism of phosphoryl transfer between the two enzymes and demonstrates the physical basis for their ultra-weak interaction. Further, molecular dynamics (MD) simulations suggest that the complex has a lifetime in the micro- to millisecond regimen. Hence such interaction is termed a fleeting interaction. From mathematical modeling, we propose that an ultra-weak fleeting interaction enables rapid flux of phosphoryl signal, providing a high effective protein concentration. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Identification of interfaces involved in weak interactions with application to F-actin-aldolase rafts.

PubMed

Hu, Guiqing; Taylor, Dianne W; Liu, Jun; Taylor, Kenneth A

2018-03-01

Macromolecular interactions occur with widely varying affinities. Strong interactions form well defined interfaces but weak interactions are more dynamic and variable. Weak interactions can collectively lead to large structures such as microvilli via cooperativity and are often the precursors of much stronger interactions, e.g. the initial actin-myosin interaction during muscle contraction. Electron tomography combined with subvolume alignment and classification is an ideal method for the study of weak interactions because a 3-D image is obtained for the individual interactions, which subsequently are characterized collectively. Here we describe a method to characterize heterogeneous F-actin-aldolase interactions in 2-D rafts using electron tomography. By forming separate averages of the two constituents and fitting an atomic structure to each average, together with the alignment information which relates the raw motif to the average, an atomic model of each crosslink is determined and a frequency map of contact residues is computed. The approach should be applicable to any large structure composed of constituents that interact weakly and heterogeneously. Copyright © 2017 Elsevier Inc. All rights reserved.

History of Weak Interactions

DOE R&D Accomplishments Database

Lee, T. D.

1970-07-01

While the phenomenon of beta-decay was discovered near the end of the last century, the notion that the weak interaction forms a separate field of physical forces evolved rather gradually. This became clear only after the experimental discoveries of other weak reactions such as muon-decay, muon-capture, etc., and the theoretical observation that all these reactions can be described by approximately the same coupling constant, thus giving rise to the notion of a universal weak interaction. Only then did one slowly recognize that the weak interaction force forms an independent field, perhaps on the same footing as the gravitational force, the electromagnetic force, and the strong nuclear and sub-nuclear forces.

Effect of molecular anisotropy on beam scattering measurements

NASA Technical Reports Server (NTRS)

Goldflam, R.; Green, S.; Kouri, D. J.; Monchick, L.

1978-01-01

Within the energy sudden approximation, the total integral and total differential scattering cross sections are given by the angle average of scattering cross sections computed at fixed rotor orientations. Using this formalism the effect of molecular anisotropy on scattering of He by HCl and by CO is examined. Comparisons with accurate close coupling calculations indicate that this approximation is quite reliable, even at very low collision energies, for both of these systems. Comparisons are also made with predictions based on the spherical average of the interaction. For HCl the anisotropy is rather weak and its main effect is a slight quenching of the oscillations in the differential cross sections relative to predictions of the spherical averaged potential. For CO the anisotropy is much stronger, so that the oscillatory pattern is strongly quenched and somewhat shifted. It appears that the sudden approximation provides a simple yet accurate method for describing the effect of molecular anisotropy on scattering measurements.

Ab initio study of the CO-N2 complex: a new highly accurate intermolecular potential energy surface and rovibrational spectrum.

PubMed

Cybulski, Hubert; Henriksen, Christian; Dawes, Richard; Wang, Xiao-Gang; Bora, Neha; Avila, Gustavo; Carrington, Tucker; Fernández, Berta

2018-05-09

A new, highly accurate ab initio ground-state intermolecular potential-energy surface (IPES) for the CO-N2 complex is presented. Thousands of interaction energies calculated with the CCSD(T) method and Dunning's aug-cc-pVQZ basis set extended with midbond functions were fitted to an analytical function. The global minimum of the potential is characterized by an almost T-shaped structure and has an energy of -118.2 cm-1. The symmetry-adapted Lanczos algorithm was used to compute rovibrational energies (up to J = 20) on the new IPES. The RMSE with respect to experiment was found to be on the order of 0.038 cm-1 which confirms the very high accuracy of the potential. This level of agreement is among the best reported in the literature for weakly bound systems and considerably improves on those of previously published potentials.

A three-dimensional He-CO potential energy surface with improved long-range behavior

NASA Astrophysics Data System (ADS)

McBane, George C.

2016-12-01

A weakness of the "CBS + corr" He-CO potential energy surface (Peterson and McBane, 2005) has been rectified by constraining the potential to adopt accurate long-range behavior for He-CO distances well beyond 15a0 . The resulting surface is very similar to the original in the main part of the interaction. Comparison with accurately known bound-state energies indicates that the surface is slightly improved in the region sampled by the highest lying bound states. The positions of shape and Feshbach resonances within a few cm-1 of the j = 1 excitation threshold are essentially unchanged. The low-energy scattering lengths changed noticeably. The revised surface generates a small negative limiting scattering length for collisions with 4He, while the original surface gave a small positive one. Both surfaces yield scattering lengths quite different from the widely used surface of Heijmen et al. (1997) for both He isotopes.

Titration Curves: Fact and Fiction.

ERIC Educational Resources Information Center

Chamberlain, John

1997-01-01

Discusses ways in which datalogging equipment can enable titration curves to be measured accurately and how computing power can be used to predict the shape of curves. Highlights include sources of error, use of spreadsheets to generate titration curves, titration of a weak acid with a strong alkali, dibasic acids, weak acid and weak base, and…

Accuracy and precision of protein-ligand interaction kinetics determined from chemical shift titrations.

PubMed

Markin, Craig J; Spyracopoulos, Leo

2012-12-01

NMR-monitored chemical shift titrations for the study of weak protein-ligand interactions represent a rich source of information regarding thermodynamic parameters such as dissociation constants (K ( D )) in the micro- to millimolar range, populations for the free and ligand-bound states, and the kinetics of interconversion between states, which are typically within the fast exchange regime on the NMR timescale. We recently developed two chemical shift titration methods wherein co-variation of the total protein and ligand concentrations gives increased precision for the K ( D ) value of a 1:1 protein-ligand interaction (Markin and Spyracopoulos in J Biomol NMR 53: 125-138, 2012). In this study, we demonstrate that classical line shape analysis applied to a single set of (1)H-(15)N 2D HSQC NMR spectra acquired using precise protein-ligand chemical shift titration methods we developed, produces accurate and precise kinetic parameters such as the off-rate (k ( off )). For experimentally determined kinetics in the fast exchange regime on the NMR timescale, k ( off ) ~ 3,000 s(-1) in this work, the accuracy of classical line shape analysis was determined to be better than 5 % by conducting quantum mechanical NMR simulations of the chemical shift titration methods with the magnetic resonance toolkit GAMMA. Using Monte Carlo simulations, the experimental precision for k ( off ) from line shape analysis of NMR spectra was determined to be 13 %, in agreement with the theoretical precision of 12 % from line shape analysis of the GAMMA simulations in the presence of noise and protein concentration errors. In addition, GAMMA simulations were employed to demonstrate that line shape analysis has the potential to provide reasonably accurate and precise k ( off ) values over a wide range, from 100 to 15,000 s(-1). The validity of line shape analysis for k ( off ) values approaching intermediate exchange (~100 s(-1)), may be facilitated by more accurate K ( D ) measurements from NMR-monitored chemical shift titrations, for which the dependence of K ( D ) on the chemical shift difference (Δω) between free and bound states is extrapolated to Δω = 0. The demonstrated accuracy and precision for k ( off ) will be valuable for the interpretation of biological kinetics in weakly interacting protein-protein networks, where a small change in the magnitude of the underlying kinetics of a given pathway may lead to large changes in the associated downstream signaling cascade.

Electrohydrodynamic interactions in Quincke rotation: from pair dynamics to collective motion

NASA Astrophysics Data System (ADS)

Das, Debasish; Saintillan, David

2013-11-01

Weakly conducting dielectric particles suspended in a dielectric liquid can undergo spontaneous sustained rotation when placed in a sufficiently strong dc electric field. This phenomenon of Quincke rotation has interesting implications for the rheology of these suspensions whose effective viscosity can be reduced by application of an external field. While previous models based on the rotation of isolated particles have provided accurate estimates for this viscosity reduction in dilute suspensions discrepancies have been reported in more concentrated systems where particle-particle interactions are likely significant. Motivated by this observation we extend the classic description of Quincke rotation based on the Taylor-Melcher leaky dielectric model to account for pair electrohydrodynamic interactions between identical spheres using method of reflections. We also consider the case of spherical particles undergoing Quincke rotation next to a planar electrode, where hydrodynamic interactions with the no-slip boundary lead to a self-propelled velocity. The interactions between such Quincke rollers are analyzed, and a transition to collective motion is predicted in sufficiently dense collections of many rollers, in agreement with recent experiments.

A combined high-field EPR and quantum chemical study on a weakly ferromagnetically coupled dinuclear Mn(III) complex. A complete analysis of the EPR spectrum beyond the strong coupling limit.

PubMed

Retegan, Marius; Collomb, Marie-Noëlle; Neese, Frank; Duboc, Carole

2013-01-07

The electronic and magnetic properties of polynuclear complexes, in particular the magnetic anisotropy (zero field splitting, ZFS), the leading term of the spin Hamiltonian (SH), are commonly analyzed in a global manner and no attempt is usually made to understand the various contributions to the anisotropy at the atomic scale. This is especially true in weakly magnetically coupled systems. The present study addresses this problem and investigates the local SH parameters using a methodology based on experimental measurements and theoretical calculations. This work focuses on the challenging mono μ-oxo bis μ-acetato dinuclear Mn(III) complex: [Mn(2)(III)(μ-O)(μ-OAc)(2)L(2)](PF(6))(2) (with L = trispyrrolidine-1,4,7-triazacyclononane) (1), which is particularly difficult for EPR spectroscopy because of its large magnetic anisotropy and the weak ferromagnetic interaction between the two Mn(III) ions. High field (up to 12 T) and high frequency (190-345 GHz) EPR experiments have been recorded for 1 between 5 and 50 K. These data have been analyzed by employing a complex Hamiltonian, which encompasses terms describing the local and inter-site interactions. Density functional theory and multireference correlated ab initio calculations have been used to estimate the ZFS of the Mn(III) ions (D(Mn) = +4.29 cm(-1), E(Mn)/D(Mn) = 0.19) and the Euler angles reflecting the relative orientation of the ZFS tensor for each Mn(III) (α = -52°, β = 28°, γ = 3°). This analysis allowed the accurate determination of the local parameters: D(Mn) = +4.50 cm(-1), E(Mn)/D(Mn) = 0.07, α = -35°, β = 23°, γ = 2°. The spin ladder approach has also been applied, but only the parameters of the ground spin state of 1 have been accurately determined (D(4) = +1.540 cm(-1), E(4)/D(4) = 0.107). This is not sufficient to allow for the determination of the local parameters. The validity and practical performance of both approaches have been discussed.

Controlling single-molecule junction conductance by molecular interactions

NASA Astrophysics Data System (ADS)

Kitaguchi, Y.; Habuka, S.; Okuyama, H.; Hatta, S.; Aruga, T.; Frederiksen, T.; Paulsson, M.; Ueba, H.

2015-07-01

For the rational design of single-molecular electronic devices, it is essential to understand environmental effects on the electronic properties of a working molecule. Here we investigate the impact of molecular interactions on the single-molecule conductance by accurately positioning individual molecules on the electrode. To achieve reproducible and precise conductivity measurements, we utilize relatively weak π-bonding between a phenoxy molecule and a STM-tip to form and cleave one contact to the molecule. The anchoring to the other electrode is kept stable using a chalcogen atom with strong bonding to a Cu(110) substrate. These non-destructive measurements permit us to investigate the variation in single-molecule conductance under different but controlled environmental conditions. Combined with density functional theory calculations, we clarify the role of the electrostatic field in the environmental effect that influences the molecular level alignment.

ICE-COLA: fast simulations for weak lensing observables

NASA Astrophysics Data System (ADS)

Izard, Albert; Fosalba, Pablo; Crocce, Martin

2018-01-01

Approximate methods to full N-body simulations provide a fast and accurate solution to the development of mock catalogues for the modelling of galaxy clustering observables. In this paper we extend ICE-COLA, based on an optimized implementation of the approximate COLA method, to produce weak lensing maps and halo catalogues in the light-cone using an integrated and self-consistent approach. We show that despite the approximate dynamics, the catalogues thus produced enable an accurate modelling of weak lensing observables one decade beyond the characteristic scale where the growth becomes non-linear. In particular, we compare ICE-COLA to the MICE Grand Challenge N-body simulation for some fiducial cases representative of upcoming surveys and find that, for sources at redshift z = 1, their convergence power spectra agree to within 1 per cent up to high multipoles (i.e. of order 1000). The corresponding shear two point functions, ξ+ and ξ-, yield similar accuracy down to 2 and 20 arcmin respectively, while tangential shear around a z = 0.5 lens sample is accurate down to 4 arcmin. We show that such accuracy is stable against an increased angular resolution of the weak lensing maps. Hence, this opens the possibility of using approximate methods for the joint modelling of galaxy clustering and weak lensing observables and their covariance in ongoing and future galaxy surveys.

Joint proprioception, muscle strength, and functional ability in patients with osteoarthritis of the knee.

PubMed

van der Esch, M; Steultjens, M; Harlaar, J; Knol, D; Lems, W; Dekker, J

2007-06-15

To test the hypotheses that poor knee joint proprioception is related to limitations in functional ability, and poor proprioception aggravates the impact of muscle weakness on limitations in functional ability in osteoarthritis (OA) of the knee. Sixty-three patients with symptomatic OA of the knee were tested. Proprioceptive acuity was assessed by establishing the joint motion detection threshold (JMDT) in the anteroposterior direction. Muscle strength was measured using a computer-driven isokinetic dynamometer. Functional ability was assessed by the 100-meter walking test, the Get Up and Go (GUG) test, and the Western Ontario and McMaster Universities Osteoarthritis Index physical function (WOMAC-PF) questionnaire. Correlation analyses were performed to assess the relationship between proprioception, muscle strength, and functional ability. Regression analyses were performed to assess the impact of proprioception on the relationship between muscle strength and functional ability. Poor proprioception (high JMDT) was related to more limitation in functional ability (walking time r = 0.30, P < 0.05; GUG time r = 0.30, P < 0.05; WOMAC-PF r = 0.26, P <0.05). In regression analyses, the interaction between proprioception and muscle strength was significantly related to functional ability (walking time, P < 0.001 and GUG time, P < 0.001) but not to WOMAC-PF score (P = 0.625). In patients with poor proprioception, reduction of muscle strength was associated with more severe deterioration of functional ability than in patients with accurate proprioception. Patients with poor proprioception show more limitation in functional ability, but this relationship is rather weak. In patients with poor proprioception, muscle weakness has a stronger impact on limitations in functional ability than in patients with accurate proprioception.

Analysis of weak interactions and Eotvos experiments

NASA Technical Reports Server (NTRS)

Hsu, J. P.

1978-01-01

The intermediate-vector-boson model is preferred over the current-current model as a basis for calculating effects due to weak self-energy. Attention is given to a possible violation of the equivalence principle by weak-interaction effects, and it is noted that effects due to weak self-energy are at least an order of magnitude greater than those due to the weak binding energy for typical nuclei. It is assumed that the weak and electromagnetic energies are independent.

Single realization stochastic FDTD for weak scattering waves in biological random media.

PubMed

Tan, Tengmeng; Taflove, Allen; Backman, Vadim

2013-02-01

This paper introduces an iterative scheme to overcome the unresolved issues presented in S-FDTD (stochastic finite-difference time-domain) for obtaining ensemble average field values recently reported by Smith and Furse in an attempt to replace the brute force multiple-realization also known as Monte-Carlo approach with a single-realization scheme. Our formulation is particularly useful for studying light interactions with biological cells and tissues having sub-wavelength scale features. Numerical results demonstrate that such a small scale variation can be effectively modeled with a random medium problem which when simulated with the proposed S-FDTD indeed produces a very accurate result.

Single realization stochastic FDTD for weak scattering waves in biological random media

PubMed Central

Tan, Tengmeng; Taflove, Allen; Backman, Vadim

2015-01-01

This paper introduces an iterative scheme to overcome the unresolved issues presented in S-FDTD (stochastic finite-difference time-domain) for obtaining ensemble average field values recently reported by Smith and Furse in an attempt to replace the brute force multiple-realization also known as Monte-Carlo approach with a single-realization scheme. Our formulation is particularly useful for studying light interactions with biological cells and tissues having sub-wavelength scale features. Numerical results demonstrate that such a small scale variation can be effectively modeled with a random medium problem which when simulated with the proposed S-FDTD indeed produces a very accurate result. PMID:27158153

Fluid-structure interaction modeling of wind turbines: simulating the full machine

NASA Astrophysics Data System (ADS)

Hsu, Ming-Chen; Bazilevs, Yuri

2012-12-01

In this paper we present our aerodynamics and fluid-structure interaction (FSI) computational techniques that enable dynamic, fully coupled, 3D FSI simulation of wind turbines at full scale, and in the presence of the nacelle and tower (i.e., simulation of the "full machine"). For the interaction of wind and flexible blades we employ a nonmatching interface discretization approach, where the aerodynamics is computed using a low-order finite-element-based ALE-VMS technique, while the rotor blades are modeled as thin composite shells discretized using NURBS-based isogeometric analysis (IGA). We find that coupling FEM and IGA in this manner gives a good combination of efficiency, accuracy, and flexibility of the computational procedures for wind turbine FSI. The interaction between the rotor and tower is handled using a non-overlapping sliding-interface approach, where both moving- and stationary-domain formulations of aerodynamics are employed. At the fluid-structure and sliding interfaces, the kinematic and traction continuity is enforced weakly, which is a key ingredient of the proposed numerical methodology. We present several simulations of a three-blade 5~MW wind turbine, with and without the tower. We find that, in the case of no tower, the presence of the sliding interface has no effect on the prediction of aerodynamic loads on the rotor. From this we conclude that weak enforcement of the kinematics gives just as accurate results as the strong enforcement, and thus enables the simulation of rotor-tower interaction (as well as other applications involving mechanical components in relative motion). We also find that the blade passing the tower produces a 10-12 % drop (per blade) in the aerodynamic torque. We feel this finding may be important when it comes to the fatigue-life analysis and prediction for wind turbine blades.

Simulating 2,368 temperate lakes reveals weak coherence in stratification phenology

USGS Publications Warehouse

Read, Jordan S.; Winslow, Luke A.; Hansen, Gretchen J. A.; Van Den Hoek, Jamon; Hanson, Paul C.; Bruce, Louise C; Markfort, Corey D.

2014-01-01

Changes in water temperatures resulting from climate warming can alter the structure and function of aquatic ecosystems. Lake-specific physical characteristics may play a role in mediating individual lake responses to climate. Past mechanistic studies of lake-climate interactions have simulated generic lake classes at large spatial scales or performed detailed analyses of small numbers of real lakes. Understanding the diversity of lake responses to climate change across landscapes requires a hybrid approach that couples site-specific lake characteristics with broad-scale environmental drivers. This study provides a substantial advancement in lake ecosystem modeling by combining open-source tools with freely available continental-scale data to mechanistically model daily temperatures for 2,368 Wisconsin lakes over three decades (1979-2011). The model accurately predicted observed surface layer temperatures (RMSE: 1.74°C) and the presence/absence of stratification (81.1% agreement). Among-lake coherence was strong for surface temperatures and weak for the timing of stratification, suggesting individual lake characteristics mediate some - but not all - ecologically relevant lake responses to climate.

Broadband Microwave Spectroscopy as a Tool to Study Dispersion Interactions in Camphor-Alcohol Systems

NASA Astrophysics Data System (ADS)

Fatima, Mariyam; Perez, Cristobal; Schnell, Melanie

2016-06-01

Many biological processes such as chemical recognition and protein folding are mainly controlled by the interplay between hydrogen bonds and dispersive forces. Broadband rotational spectroscopy studies of weakly bound complexes are able to accurately reveal the structures and internal dynamics of molecular clusters isolated in the gas phase. To investigate the influence of the interplay between different types of weak intermolecular interactions and how it controls the preferred active sites of an amphiphilic molecule, we are using camphor (C10H16O, 1,7,7-trimethylbicyclo[2.2.1]hepta-2-one) with different aliphatic alcohol systems. Camphor is a conformationally rigid bicyclic molecule endowed with considerable steric hindrance and has a single polar group (-C=O). The rotational spectrum of camphor and its structure has been previously reported [1] as well as multiple clusters with water [2]. In order to determine the structure of the camphor-alcohol complexes, we targeted low energy rotational transitions in the 2-8 GHz range under the isolated conditions of a molecular jet in the gas phase. The data obtained suggests that camphor forms one complex with methanol and two with ethanol, with differences in the intermolecular interaction in both complexes. With these results, we aim to study the shift in intermolecular interaction from hydrogen bonding to dispersion with the increase in the size of the aliphatic alcohol. [1] Z. Kisiel, et al., Phys. Chem. Chem. Phys., 5 (2003), 820-826. [2] C. Pérez, et al, J. Phys. Chem. Lett., 7 (2016), 154-160.

Was Newton right? A search for non-Newtonian behavior of weak-field gravity

NASA Astrophysics Data System (ADS)

Boynton, Paul; Moore, Michael; Newman, Riley; Berg, Eric; Bonicalzi, Ricco; McKenney, Keven

2014-06-01

Empirical tests of Einstein's metric theory of gravitation, even in the non-relativistic, weak-field limit, could play an important role in judging theory-driven extensions of the current Standard Model of fundamental interactions. Guided by Galileo's work and his own experiments, Newton formulated a theory of gravity in which the force of attraction between two bodies is independent of composition and proportional to the inertia of each, thereby transparently satisfying Galileo's empirically informed conjecture regarding the Universality of Free Fall. Similarly, Einstein honored the manifest success of Newton's theory by assuring that the linearized equations of GTR matched the Newtonian formalism under "classical" conditions. Each of these steps, however, was explicitly an approximation raised to the status of principle. Perhaps, at some level, Newtonian gravity does not accurately describe the physical interaction between uncharged, unmagnetized, macroscopic bits of ordinary matter. What if Newton were wrong? Detecting any significant deviation from Newtonian behavior, no matter how small, could provide new insights and possibly reveal new physics. In the context of physics as an empirical science, for us this yet unanswered question constitutes sufficient motivation to attempt precision measurements of the kind described here. In this paper we report the current status of a project to search for violation of the Newtonian inverse square law of gravity.

Magnetic Susceptibility and Spin Exchange Interactions of the Hexagonal Perovskite-Type Oxides Sr 4/3(Mn 2/3Ni 1/3)O 3

NASA Astrophysics Data System (ADS)

El Abed, A.; Gaudin, E.; Darriet, J.; Whangbo, M.-H.

2002-02-01

Magnetic susceptibility measurements were carried out for two hexagonal perovskite-type oxides Sr1+x(Mn1-xNix)O3 with slightly different compositions (i.e., x={1}/{3} and 0.324). A significant difference in the susceptibilities of the two phases demonstrates the need to control phase compositions accurately. Sr4/3(Mn2/3Ni1/3)O3 consists of two spin sublattices, i.e., the Mn4+ and the Ni2+ ion sublattices. Spin dimer analysis was carried out to examine the relative strengths in the spin exchange interactions of the Mn4+ ion sublattice. The temperature dependence of the magnetic susceptibility of Sr4/3(Mn2/3Ni1/3)O3 was found consistent with a picture in which the Mn4+ ion sublattice has weakly interacting antiferromagnetically coupled (Mn4+)2 dimers, the Ni2+ ion sublattice acts as a paramagnetic system, and the two sublattices are nearly independent.

Finding equilibrium in the spatiotemporal chaos of the complex Ginzburg-Landau equation

NASA Astrophysics Data System (ADS)

Ballard, Christopher C.; Esty, C. Clark; Egolf, David A.

2016-11-01

Equilibrium statistical mechanics allows the prediction of collective behaviors of large numbers of interacting objects from just a few system-wide properties; however, a similar theory does not exist for far-from-equilibrium systems exhibiting complex spatial and temporal behavior. We propose a method for predicting behaviors in a broad class of such systems and apply these ideas to an archetypal example, the spatiotemporal chaotic 1D complex Ginzburg-Landau equation in the defect chaos regime. Building on the ideas of Ruelle and of Cross and Hohenberg that a spatiotemporal chaotic system can be considered a collection of weakly interacting dynamical units of a characteristic size, the chaotic length scale, we identify underlying, mesoscale, chaotic units and effective interaction potentials between them. We find that the resulting equilibrium Takahashi model accurately predicts distributions of particle numbers. These results suggest the intriguing possibility that a class of far-from-equilibrium systems may be well described at coarse-grained scales by the well-established theory of equilibrium statistical mechanics.

Spin-Orbit Interactions and Quantum Spin Dynamics in Cold Ion-Atom Collisions

NASA Astrophysics Data System (ADS)

Tscherbul, Timur V.; Brumer, Paul; Buchachenko, Alexei A.

2016-09-01

We present accurate ab initio and quantum scattering calculations on a prototypical hybrid ion-atom system Yb+ -Rb, recently suggested as a promising candidate for the experimental study of open quantum systems, quantum information processing, and quantum simulation. We identify the second-order spin-orbit (SO) interaction as the dominant source of hyperfine relaxation in cold Yb+ -Rb collisions. Our results are in good agreement with recent experimental observations [L. Ratschbacher et al., Phys. Rev. Lett. 110, 160402 (2013)] of hyperfine relaxation rates of trapped Yb+ immersed in an ultracold Rb gas. The calculated rates are 4 times smaller than is predicted by the Langevin capture theory and display a weak T-0.3 temperature dependence, indicating significant deviations from statistical behavior. Our analysis underscores the deleterious nature of the SO interaction and implies that light ion-atom combinations such as Yb+ -Li should be used to minimize hyperfine relaxation and decoherence of trapped ions in ultracold atomic gases.

Finding equilibrium in the spatiotemporal chaos of the complex Ginzburg-Landau equation.

PubMed

Ballard, Christopher C; Esty, C Clark; Egolf, David A

2016-11-01

Equilibrium statistical mechanics allows the prediction of collective behaviors of large numbers of interacting objects from just a few system-wide properties; however, a similar theory does not exist for far-from-equilibrium systems exhibiting complex spatial and temporal behavior. We propose a method for predicting behaviors in a broad class of such systems and apply these ideas to an archetypal example, the spatiotemporal chaotic 1D complex Ginzburg-Landau equation in the defect chaos regime. Building on the ideas of Ruelle and of Cross and Hohenberg that a spatiotemporal chaotic system can be considered a collection of weakly interacting dynamical units of a characteristic size, the chaotic length scale, we identify underlying, mesoscale, chaotic units and effective interaction potentials between them. We find that the resulting equilibrium Takahashi model accurately predicts distributions of particle numbers. These results suggest the intriguing possibility that a class of far-from-equilibrium systems may be well described at coarse-grained scales by the well-established theory of equilibrium statistical mechanics.

NMR characterization of weak interactions between RhoGDI2 and fragment screening hits.

PubMed

Liu, Jiuyang; Gao, Jia; Li, Fudong; Ma, Rongsheng; Wei, Qingtao; Wang, Aidong; Wu, Jihui; Ruan, Ke

2017-01-01

The delineation of intrinsically weak interactions between novel targets and fragment screening hits has long limited the pace of hit-to-lead evolution. Rho guanine-nucleotide dissociation inhibitor 2 (RhoGDI2) is a novel target that lacks any chemical probes for the treatment of tumor metastasis. Protein-observed and ligand-observed NMR spectroscopy was used to characterize the weak interactions between RhoGDI2 and fragment screening hits. We identified three hits of RhoGDI2 using streamlined NMR fragment-based screening. The binding site residues were assigned using non-uniformly sampled C α - and H α -based three dimensional NMR spectra. The molecular docking to the proposed geranylgeranyl binding pocket of RhoGDI2 was guided by NMR restraints of chemical shift perturbations and ligand-observed transferred paramagnetic relaxation enhancement. We further validated the weak RhoGDI2-hit interactions using mutagenesis and structure-affinity analysis. Weak interactions between RhoGDI2 and fragment screening hits were delineated using an integrated NMR approach. Binders to RhoGDI2 as a potential anti-cancer target have been first reported, and their weak interactions were depicted using NMR spectroscopy. Our work highlights the powerfulness and the versatility of the integrative NMR techniques to provide valuable structural insight into the intrinsically weak interactions between RhoGDI2 and the fragment screening hits, which could hardly be conceived using other biochemical techniques. Copyright © 2016 Elsevier B.V. All rights reserved.

Simultaneous measurement of dynamic force and spatial thin film thickness between deformable and solid surfaces by integrated thin liquid film force apparatus.

PubMed

Zhang, Xurui; Tchoukov, Plamen; Manica, Rogerio; Wang, Louxiang; Liu, Qingxia; Xu, Zhenghe

2016-11-09

Interactions involving deformable surfaces reveal a number of distinguishing physicochemical characteristics that do not exist in interactions between rigid solid surfaces. A unique fully custom-designed instrument, referred to as integrated thin liquid film force apparatus (ITLFFA), was developed to study the interactions between one deformable and one solid surface in liquid. Incorporating a bimorph force sensor with interferometry, this device allows for the simultaneous measurement of the time-dependent interaction force and the corresponding spatiotemporal film thickness of the intervening liquid film. The ITLFFA possesses the specific feature of conducting measurement under a wide range of hydrodynamic conditions, with a displacement velocity of deformable surfaces ranging from 2 μm s -1 to 50 mm s -1 . Equipped with a high speed camera, the results of a bubble interacting with hydrophilic and partially hydrophobic surfaces in aqueous solutions indicated that ITLFFA can provide information on interaction forces and thin liquid film drainage dynamics not only in a stable film but also in films of the quick rupture process. The weak interaction force was extracted from a measured film profile. Because of its well-characterized experimental conditions, ITLFFA permits the accurate and quantitative comparison/validation between measured and calculated interaction forces and temporal film profiles.

Exploiting Non-Markovianity for Quantum Control.

PubMed

Reich, Daniel M; Katz, Nadav; Koch, Christiane P

2015-07-22

Quantum technology, exploiting entanglement and the wave nature of matter, relies on the ability to accurately control quantum systems. Quantum control is often compromised by the interaction of the system with its environment since this causes loss of amplitude and phase. However, when the dynamics of the open quantum system is non-Markovian, amplitude and phase flow not only from the system into the environment but also back. Interaction with the environment is then not necessarily detrimental. We show that the back-flow of amplitude and phase can be exploited to carry out quantum control tasks that could not be realized if the system was isolated. The control is facilitated by a few strongly coupled, sufficiently isolated environmental modes. Our paradigmatic example considers a weakly anharmonic ladder with resonant amplitude control only, restricting realizable operations to SO(N). The coupling to the environment, when harnessed with optimization techniques, allows for full SU(N) controllability.

Transonic flow about a thick circular-arc airfoil

NASA Technical Reports Server (NTRS)

Mcdevitt, J. B.; Levy, L. L., Jr.; Deiwert, G. S.

1975-01-01

An experimental and theoretical study of transonic flow over a thick airfoil, prompted by a need for adequately documented experiments that could provide rigorous verification of viscous flow simulation computer codes, is reported. Special attention is given to the shock-induced separation phenomenon in the turbulent regime. Measurements presented include surface pressures, streamline and flow separation patterns, and shadowgraphs. For a limited range of free-stream Mach numbers the airfoil flow field is found to be unsteady. Dynamic pressure measurements and high-speed shadowgraph movies were taken to investigate this phenomenon. Comparisons of experimentally determined and numerically simulated steady flows using a new viscous-turbulent code are also included. The comparisons show the importance of including an accurate turbulence model. When the shock-boundary layer interaction is weak the turbulence model employed appears adequate, but when the interaction is strong, and extensive regions of separation are present, the model is inadequate and needs further development.

Calculation of the exchange coupling constants of copper binuclear systems based on spin-flip constricted variational density functional theory.

PubMed

Zhekova, Hristina R; Seth, Michael; Ziegler, Tom

2011-11-14

We have recently developed a methodology for the calculation of exchange coupling constants J in weakly interacting polynuclear metal clusters. The method is based on unrestricted and restricted second order spin-flip constricted variational density functional theory (SF-CV(2)-DFT) and is here applied to eight binuclear copper systems. Comparison of the SF-CV(2)-DFT results with experiment and with results obtained from other DFT and wave function based methods has been made. Restricted SF-CV(2)-DFT with the BH&HLYP functional yields consistently J values in excellent agreement with experiment. The results acquired from this scheme are comparable in quality to those obtained by accurate multi-reference wave function methodologies such as difference dedicated configuration interaction and the complete active space with second-order perturbation theory. © 2011 American Institute of Physics

Molecular Handshake: Recognition through Weak Noncovalent Interactions

ERIC Educational Resources Information Center

Murthy, Parvathi S.

2006-01-01

The weak noncovalent interactions between substances, the handshake in the form of electrostatic interactions, van der Waals' interactions or hydrogen bonding is universal to all living and nonliving matter. They significantly influence the molecular and bulk properties and behavior of matter. Their transient nature affects chemical reactions and…

Discovering protein complexes in protein interaction networks via exploring the weak ties effect

PubMed Central

2012-01-01

Background Studying protein complexes is very important in biological processes since it helps reveal the structure-functionality relationships in biological networks and much attention has been paid to accurately predict protein complexes from the increasing amount of protein-protein interaction (PPI) data. Most of the available algorithms are based on the assumption that dense subgraphs correspond to complexes, failing to take into account the inherence organization within protein complex and the roles of edges. Thus, there is a critical need to investigate the possibility of discovering protein complexes using the topological information hidden in edges. Results To provide an investigation of the roles of edges in PPI networks, we show that the edges connecting less similar vertices in topology are more significant in maintaining the global connectivity, indicating the weak ties phenomenon in PPI networks. We further demonstrate that there is a negative relation between the weak tie strength and the topological similarity. By using the bridges, a reliable virtual network is constructed, in which each maximal clique corresponds to the core of a complex. By this notion, the detection of the protein complexes is transformed into a classic all-clique problem. A novel core-attachment based method is developed, which detects the cores and attachments, respectively. A comprehensive comparison among the existing algorithms and our algorithm has been made by comparing the predicted complexes against benchmark complexes. Conclusions We proved that the weak tie effect exists in the PPI network and demonstrated that the density is insufficient to characterize the topological structure of protein complexes. Furthermore, the experimental results on the yeast PPI network show that the proposed method outperforms the state-of-the-art algorithms. The analysis of detected modules by the present algorithm suggests that most of these modules have well biological significance in context of complexes, suggesting that the roles of edges are critical in discovering protein complexes. PMID:23046740

Measurement of Neutrino and Antineutrino Charged-Current Inclusive Cross Sections with the MINERvA Detector

DOE Office of Scientific and Technical Information (OSTI.GOV)

Devan, Joshua D.

2015-01-01

Neutrinos are a nearly massless, neutral particle in the Standard Model that only interact via the weak interaction. Experimental confirmation of neutrino oscillations, in which a neutrino created as a particular type (electron, muon or tau) can be observed as a different type after propagating some distance, earned the 2015 Nobel Prize in Physics. Neutrino oscillation experiments rely on accurate measurements of neutrino interactions with matter, such as that presented here. Neutrinos also provide a unique probe of the nucleus, complementary to electron scattering experiments. This thesis presents a measurement of the charged-current inclusive cross section for muon neutrinos and antineutrinos in the energy range 2 to 50 GeV with the MINERvA detector. MINERvA is a neutrino scattering experiment in the NuMI neutrino beam at Fermilab, near Chicago. A cross section measures the probability of an interaction occurring, measured here as a function of neutrino energy. To extract a cross section from data, the observed rate of interactions is corrected for detector efficiency and divided by the number of scattering nucleons in the target and the flux of neutrinos in the beam. The neutrino flux is determined with the low-more » $$\

Understanding thread properties for red blood cell antigen assays: weak ABO blood typing.

PubMed

Nilghaz, Azadeh; Zhang, Liyuan; Li, Miaosi; Ballerini, David R; Shen, Wei

2014-12-24

"Thread-based microfluidics" research has so far focused on utilizing and manipulating the wicking properties of threads to form controllable microfluidic channels. In this study we aim to understand the separation properties of threads, which are important to their microfluidic detection applications for blood analysis. Confocal microscopy was utilized to investigate the effect of the microscale surface morphologies of fibers on the thread's separation efficiency of red blood cells. We demonstrated the remarkably different separation properties of threads made using silk and cotton fibers. Thread separation properties dominate the clarity of blood typing assays of the ABO groups and some of their weak subgroups (Ax and A3). The microfluidic thread-based analytical devices (μTADs) designed in this work were used to accurately type different blood samples, including 89 normal ABO and 6 weak A subgroups. By selecting thread with the right surface morphology, we were able to build μTADs capable of providing rapid and accurate typing of the weak blood groups with high clarity.

Using an innovative multiple regression procedure in a cancer population (Part II): fever, depressive affect, and mobility problems clarify an influential symptom pair (pain-fatigue/weakness) and cluster (pain-fatigue/weakness-sleep problems).

PubMed

Francoeur, Richard B

2015-01-01

Most patients with advanced cancer experience symptom pairs or clusters among pain, fatigue, and insomnia. However, only combinations where symptoms are mutually influential hold potential for identifying patient subgroups at greater risk, and in some contexts, interventions with "cross-over" (multisymptom) effects. Improved methods to detect and interpret interactions among symptoms, signs, or biomarkers are needed to reveal these influential pairs and clusters. I recently created sequential residual centering (SRC) to reduce multicollinearity in moderated regression, which enhances sensitivity to detect these interactions. I applied SRC to moderated regressions of single-item symptoms that interact to predict outcomes from 268 palliative radiation outpatients. I investigated: 1) the hypothesis that the interaction, pain × fatigue/weakness × sleep problems, predicts depressive affect only when fever presents, and 2) an exploratory analysis, when fever is absent, that the interaction, pain × fatigue/weakness × sleep problems × depressive affect, predicts mobility problems. In the fever context, three-way interactions (and derivative terms) of the four symptoms (pain, fatigue/weakness, fever, sleep problems) are tested individually and simultaneously; in the non-fever context, a single four-way interaction (and derivative terms) is tested. Fever interacts separately with fatigue/weakness and sleep problems; these comoderators each magnify the pain-depressive affect relationship along the upper or full range of pain values. In non-fever contexts, fatigue/weakness, sleep problems, and depressive affect comagnify the relationship between pain and mobility problems. Different mechanisms contribute to the pain × fatigue/weakness × sleep problems interaction, but all depend on the presence of fever, a sign/biomarker/symptom of proinflammatory sickness behavior. In non-fever contexts, depressive affect is no longer an outcome representing malaise from the physical symptoms of sickness, but becomes a fourth symptom of the interaction. In outpatient subgroups at heightened risk, single interventions could potentially relieve multiple symptoms when fever accompanies sickness malaise and in non-fever contexts with mobility problems. SRC strengthens insights into symptom pairs/clusters.

Light-scattering studies of protein solutions: role of hydration in weak protein-protein interactions.

PubMed

Paliwal, A; Asthagiri, D; Abras, D; Lenhoff, A M; Paulaitis, M E

2005-09-01

We model the hydration contribution to short-range electrostatic/dispersion protein interactions embodied in the osmotic second virial coefficient, B(2), by adopting a quasi-chemical description in which water molecules associated with the protein are identified through explicit molecular dynamics simulations. These water molecules reduce the surface complementarity of highly favorable short-range interactions, and therefore can play an important role in mediating protein-protein interactions. Here we examine this quasi-chemical view of hydration by predicting the interaction part of B(2) and comparing our results with those derived from light-scattering measurements of B(2) for staphylococcal nuclease, lysozyme, and chymotrypsinogen at 25 degrees C as a function of solution pH and ionic strength. We find that short-range protein interactions are influenced by water molecules strongly associated with a relatively small fraction of the protein surface. However, the effect of these strongly associated water molecules on the surface complementarity of short-range protein interactions is significant, and must be taken into account for an accurate description of B(2). We also observe remarkably similar hydration behavior for these proteins despite substantial differences in their three-dimensional structures and spatial charge distributions, suggesting a general characterization of protein hydration.

A Scalable Implementation of Van der Waals Density Functionals

NASA Astrophysics Data System (ADS)

Wu, Jun; Gygi, Francois

2010-03-01

Recently developed Van der Waals density functionals[1] offer the promise to account for weak intermolecular interactions that are not described accurately by local exchange-correlation density functionals. In spite of recent progress [2], the computational cost of such calculations remains high. We present a scalable parallel implementation of the functional proposed by Dion et al.[1]. The method is implemented in the Qbox first-principles simulation code (http://eslab.ucdavis.edu/software/qbox). Application to large molecular systems will be presented. [4pt] [1] M. Dion et al. Phys. Rev. Lett. 92, 246401 (2004).[0pt] [2] G. Roman-Perez and J. M. Soler, Phys. Rev. Lett. 103, 096102 (2009).

Hidden multiparticle excitation in a weakly interacting Bose-Einstein condensate

NASA Astrophysics Data System (ADS)

Watabe, Shohei

2018-03-01

We investigate multiparticle excitation effect on a collective density excitation as well as a single-particle excitation in a weakly interacting Bose-Einstein condensate (BEC). We find that although the weakly interacting BEC offers weak multiparticle excitation spectrum at low temperatures, this multiparticle excitation effect may not remain hidden, but emerges as bimodality in the density response function through the single-particle excitation. Identification of spectra in the BEC between the single-particle excitation and the density excitation is also assessed at nonzero temperatures, which has been known to be unique nature in the BEC at absolute zero temperature.

The application of midbond basis sets in efficient and accurate ab initio calculations on electron-deficient systems

NASA Astrophysics Data System (ADS)

Choi, Chu Hwan

2002-09-01

Ab initio chemistry has shown great promise in reproducing experimental results and in its predictive power. The many complicated computational models and methods seem impenetrable to an inexperienced scientist, and the reliability of the results is not easily interpreted. The application of midbond orbitals is used to determine a general method for use in calculating weak intermolecular interactions, especially those involving electron-deficient systems. Using the criteria of consistency, flexibility, accuracy and efficiency we propose a supermolecular method of calculation using the full counterpoise (CP) method of Boys and Bernardi, coupled with Moller-Plesset (MP) perturbation theory as an efficient electron-correlative method. We also advocate the use of the highly efficient and reliable correlation-consistent polarized valence basis sets of Dunning. To these basis sets, we add a general set of midbond orbitals and demonstrate greatly enhanced efficiency in the calculation. The H2-H2 dimer is taken as a benchmark test case for our method, and details of the computation are elaborated. Our method reproduces with great accuracy the dissociation energies of other previous theoretical studies. The added efficiency of extending the basis sets with conventional means is compared with the performance of our midbond-extended basis sets. The improvement found with midbond functions is notably superior in every case tested. Finally, a novel application of midbond functions to the BH5 complex is presented. The system is an unusual van der Waals complex. The interaction potential curves are presented for several standard basis sets and midbond-enhanced basis sets, as well as for two popular, alternative correlation methods. We report that MP theory appears to be superior to coupled-cluster (CC) in speed, while it is more stable than B3LYP, a widely-used density functional theory (DFT). Application of our general method yields excellent results for the midbond basis sets. Again they prove superior to conventional extended basis sets. Based on these results, we recommend our general approach as a highly efficient, accurate method for calculating weakly interacting systems.

Anomalous Ground State of the Electrons in Nano-confined Water

DTIC Science & Technology

2016-06-13

confined water system, Nafion, is so different from that of bulk water that the weakly electrostatically interacting molecule model of water is clearly...assume that water is made up molecules weakly interacting(on the scale of the zero point bond energy~.2eV) electrostatically with its neighbors2-3. In an...not possible for a collection of molecules interacting weakly electrostatically . These changes in the spatial distribution of valence electrons in

Understanding ultracold polar molecules

NASA Astrophysics Data System (ADS)

Julienne, Paul

2009-05-01

The successful production of a dense sample of ultracold ground state KRb polar molecules [1] opens the door to a new era of research with dipolar gases and lattices of such species. This feat was achieved by first associating a K and a Rb atom to make a weakly bound Feshbach molecule and then coherently transferring the population to the ground vibrational level of the molecule. This talk focuses on theoretical issues associated with making and using ultracold polar molecules, using KRb as an example [2]. Full understanding of this species and the processes by which it is made requires taking advantage of accurate molecular potentials [3], ab initio calculations [4], and the properties of the long-range potential. A highly accurate model is available for KRb for all bound states below the ground state separated atom limit and could be constructed for other species. The next step is to develop an understanding of the interactions between polar molecules, and their control in the ultracold domain. Understanding long-range interactions and threshold resonances will be crucial for future work. [1] K.-K. Ni, et al, Science 322, 231(2008). [2] P. S. Julienne, arXiv:0812:1233. [3] Pashov et al., Phys. Rev. A76, 022511 (2007). [4] S. Kotochigova, et al., arXiv:0901.1486.

Gamma-ray transfer and energy deposition in supernovae

NASA Technical Reports Server (NTRS)

Swartz, Douglas A.; Sutherland, Peter G.; Harkness, Robert P.

1995-01-01

Solutions to the energy-independent (gray) radiative transfer equations are compared to results of Monte Carlo simulations of the Ni-56 and Co-56 decay gamma-ray energy deposition in supernovae. The comparison shows that an effective, purely absorptive, gray opacity, kappa(sub gamma) approximately (0. 06 +/- 0.01)Y(sub e) sq cm/g, where Y is the total number of electrons per baryon, accurately describes the interaction of gamma-rays with the cool supernova gas and the local gamma-ray energy deposition within the gas. The nature of the gamma-ray interaction process (dominated by Compton scattering in the relativistic regime) creates a weak dependence of kappa(sub gamma) on the optical thickness of the (spherically symmetric) supernova atmosphere: The maximum value of kappa(sub gamma) applies during optically thick conditions when individual gamma-rays undergo multiple scattering encounters and the lower bound is reached at the phase characterized by a total Thomson optical depth to the center of the atmosphere tau(sub e) approximately less than 1. Gamma-ray deposition for Type Ia supernova models to within 10% for the epoch from maximum light to t = 1200 days. Our results quantitatively confirm that the quick and efficient solution to the gray transfer problem provides an accurate representation of gamma-ray energy deposition for a broad range of supernova conditions.

n→π* Non-Covalent Interaction is Weak but Strong in Action

NASA Astrophysics Data System (ADS)

Singh, Santosh Kumar; Das, Aloke

2017-06-01

n→π* interaction is a newly discovered non-covalent interaction which involves delocalization of lone pair (n) electrons of an electronegative atom into π* orbital of a carbonyl group or an aromatic ring. It is widely observed in materials, biomolecules (protein, DNA, RNA), amino acids, neurotransmitter and drugs. However, due to its weak strength and counterintuitive nature its existence is debatable. Such weak interactions are often masked by solvent effects in condense phase or physiological conditions thereby, making it difficult to prove the presence of such weak interactions. Therefore, we have used isolated gas phase spectroscopy in combination with quantum chemical calculations to study n→π* interaction in several molecules where, our molecular systems are free from solvent effects or any external forces. Herein I will be discussing two of the molecular systems (phenyl formate and salicin) where, we have observed the significance of n→π* interaction in determining the conformational specificity of the molecules. We have proved the existence of n→π* interaction for the first time through IR spectroscopy by probing the carbonyl stretching frequency of phenyl formate. Our study is further pursued on a drug named salicin where, we have observed that its conformational preferences is ruled by n→π* interaction even though a strong hydrogen bonding interaction is present in the molecule. Our results show that n→π* interaction, in spite of its weak strength, should not be overlooked as it existence can play an important role in governing the structures of molecules like other strong non-covalent interactions do.

Hydrogen atoms can be located accurately and precisely by x-ray crystallography.

PubMed

Woińska, Magdalena; Grabowsky, Simon; Dominiak, Paulina M; Woźniak, Krzysztof; Jayatilaka, Dylan

2016-05-01

Precise and accurate structural information on hydrogen atoms is crucial to the study of energies of interactions important for crystal engineering, materials science, medicine, and pharmacy, and to the estimation of physical and chemical properties in solids. However, hydrogen atoms only scatter x-radiation weakly, so x-rays have not been used routinely to locate them accurately. Textbooks and teaching classes still emphasize that hydrogen atoms cannot be located with x-rays close to heavy elements; instead, neutron diffraction is needed. We show that, contrary to widespread expectation, hydrogen atoms can be located very accurately using x-ray diffraction, yielding bond lengths involving hydrogen atoms (A-H) that are in agreement with results from neutron diffraction mostly within a single standard deviation. The precision of the determination is also comparable between x-ray and neutron diffraction results. This has been achieved at resolutions as low as 0.8 Å using Hirshfeld atom refinement (HAR). We have applied HAR to 81 crystal structures of organic molecules and compared the A-H bond lengths with those from neutron measurements for A-H bonds sorted into bonds of the same class. We further show in a selection of inorganic compounds that hydrogen atoms can be located in bridging positions and close to heavy transition metals accurately and precisely. We anticipate that, in the future, conventional x-radiation sources at in-house diffractometers can be used routinely for locating hydrogen atoms in small molecules accurately instead of large-scale facilities such as spallation sources or nuclear reactors.

Hydrogen atoms can be located accurately and precisely by x-ray crystallography

PubMed Central

Woińska, Magdalena; Grabowsky, Simon; Dominiak, Paulina M.; Woźniak, Krzysztof; Jayatilaka, Dylan

2016-01-01

Precise and accurate structural information on hydrogen atoms is crucial to the study of energies of interactions important for crystal engineering, materials science, medicine, and pharmacy, and to the estimation of physical and chemical properties in solids. However, hydrogen atoms only scatter x-radiation weakly, so x-rays have not been used routinely to locate them accurately. Textbooks and teaching classes still emphasize that hydrogen atoms cannot be located with x-rays close to heavy elements; instead, neutron diffraction is needed. We show that, contrary to widespread expectation, hydrogen atoms can be located very accurately using x-ray diffraction, yielding bond lengths involving hydrogen atoms (A–H) that are in agreement with results from neutron diffraction mostly within a single standard deviation. The precision of the determination is also comparable between x-ray and neutron diffraction results. This has been achieved at resolutions as low as 0.8 Å using Hirshfeld atom refinement (HAR). We have applied HAR to 81 crystal structures of organic molecules and compared the A–H bond lengths with those from neutron measurements for A–H bonds sorted into bonds of the same class. We further show in a selection of inorganic compounds that hydrogen atoms can be located in bridging positions and close to heavy transition metals accurately and precisely. We anticipate that, in the future, conventional x-radiation sources at in-house diffractometers can be used routinely for locating hydrogen atoms in small molecules accurately instead of large-scale facilities such as spallation sources or nuclear reactors. PMID:27386545

Biomolecule-nanoparticle interactions: Elucidation of the thermodynamics by isothermal titration calorimetry.

PubMed

Huang, Rixiang; Lau, Boris L T

2016-05-01

Nanomaterials (NMs) are often exposed to a broad range of biomolecules of different abundances. Biomolecule sorption driven by various interfacial forces determines the surface structure and composition of NMs, subsequently governs their functionality and the reactivity of the adsorbed biomolecules. Isothermal titration calorimetry (ITC) is a nondestructive technique that quantifies thermodynamic parameters through in-situ measurement of the heat absorption or release associated with an interaction. This review highlights the recent applications of ITC in understanding the thermodynamics of interactions between various nanoparticles (NPs) and biomolecules. Different aspects of a typical ITC experiment that are crucial for obtaining accurate and meaningful data, as well as the strengths, weaknesses, and challenges of ITC applications to NP research were discussed. ITC reveals the driving forces behind biomolecule-NP interactions and the effects of the physicochemical properties of both NPs and biomolecules by quantifying the crucial thermodynamics parameters (e.g., binding stoichiometry, ΔH, ΔS, and ΔG). Complimentary techniques would strengthen the interpretation of ITC results for a more holistic understanding of biomolecule-NP interactions. The thermodynamic information revealed by ITC and its complimentary characterizations is important for understanding biomolecule-NP interactions that are fundamental to the biomedical and environmental applications of NMs and their toxicological effects. Copyright © 2016 Elsevier B.V. All rights reserved.

Weak interspecific interactions in a sagebrush steppe? Conflicting evidence from observations and experiments.

PubMed

Adler, Peter B; Kleinhesselink, Andrew; Giles, Hooker; Taylor, J Bret; Teller, Brittany; Ellner, Stephen P

2018-04-28

Stable coexistence requires intraspecific limitations to be stronger than interspecific limitations. The greater the difference between intra- and interspecific limitations, the more stable the coexistence, and the weaker the competitive release any species should experience following removal of competitors. We conducted a removal experiment to test whether a previously estimated model, showing surprisingly weak interspecific competition for four dominant species in a sagebrush steppe, accurately predicts competitive release. Our treatments were 1) removal of all perennial grasses and 2) removal of the dominant shrub, Artemisia tripartita. We regressed survival, growth and recruitment on the locations, sizes, and species identities of neighboring plants, along with an indicator variable for removal treatment. If our "baseline" regression model, which accounts for local plant-plant interactions, accurately explains the observed responses to removals, then the removal coefficient should be non-significant. For survival, the removal coefficients were never significantly different from zero, and only A. tripartita showed a (negative) response to removals at the recruitment stage. For growth, the removal treatment effect was significant and positive for two species, Poa secunda and Pseudoroegneria spicata, indicating that the baseline model underestimated interspecific competition. For all three grass species, population models based on the vital rate regressions that included removal effects projected 1.4 to 3-fold increases in equilibrium population size relative to the baseline model (no removal effects). However, we found no evidence of higher response to removal in quadrats with higher pretreatment cover of A. tripartita, or by plants experiencing higher pre-treatment crowding by A. tripartita, raising questions about the mechanisms driving the positive response to removal. While our results show the value of combining observations with a simple removal experiment, more tightly controlled experiments focused on underlying mechanisms may be required to conclusively validate or reject predictions from phenomenological models. This article is protected by copyright. All rights reserved. This article is protected by copyright. All rights reserved.

Using an innovative multiple regression procedure in a cancer population (Part 1): detecting and probing relationships of common interacting symptoms (pain, fatigue/weakness, sleep problems) as a strategy to discover influential symptom pairs and clusters.

PubMed

Francoeur, Richard B

2015-01-01

The majority of patients with advanced cancer experience symptom pairs or clusters among pain, fatigue, and insomnia. Improved methods are needed to detect and interpret interactions among symptoms or diesease markers to reveal influential pairs or clusters. In prior work, I developed and validated sequential residual centering (SRC), a method that improves the sensitivity of multiple regression to detect interactions among predictors, by conditioning for multicollinearity (shared variation) among interactions and component predictors. Using a hypothetical three-way interaction among pain, fatigue, and sleep to predict depressive affect, I derive and explain SRC multiple regression. Subsequently, I estimate raw and SRC multiple regressions using real data for these symptoms from 268 palliative radiation outpatients. Unlike raw regression, SRC reveals that the three-way interaction (pain × fatigue/weakness × sleep problems) is statistically significant. In follow-up analyses, the relationship between pain and depressive affect is aggravated (magnified) within two partial ranges: 1) complete-to-some control over fatigue/weakness when there is complete control over sleep problems (ie, a subset of the pain-fatigue/weakness symptom pair), and 2) no control over fatigue/weakness when there is some-to-no control over sleep problems (ie, a subset of the pain-fatigue/weakness-sleep problems symptom cluster). Otherwise, the relationship weakens (buffering) as control over fatigue/weakness or sleep problems diminishes. By reducing the standard error, SRC unmasks a three-way interaction comprising a symptom pair and cluster. Low-to-moderate levels of the moderator variable for fatigue/weakness magnify the relationship between pain and depressive affect. However, when the comoderator variable for sleep problems accompanies fatigue/weakness, only frequent or unrelenting levels of both symptoms magnify the relationship. These findings suggest that a countervailing mechanism involving depressive affect could account for the effectiveness of a cognitive behavioral intervention to reduce the severity of a pain, fatigue, and sleep disturbance cluster in a previous randomized trial.

Nonlinear response and bistability of driven ion acoustic waves

NASA Astrophysics Data System (ADS)

Akbari-Moghanjoughi, M.

2017-08-01

The hydrodynamic model is used to obtain a generalized pseudoforce equation through which the nonlinear response of periodically driven ion acoustic waves is studied in an electron-ion plasma with isothermal and adiabatic ion fluids. The pseudotime series, corresponding to different driving frequencies, indicates that nonlinearity effects appear more strongly for smaller frequency values. The existence of extra harmonic resonances in the nonlinear amplitude spectrum is a clear indication of the interaction of an external force with harmonic components of the nonlinear ion acoustic waves. It is shown that many plasma parameters significantly and differently affect the nonlinear resonance spectrum of ion acoustic excitations. A heuristic but accurate model for the foldover effect is used which quite satisfactorily predicts the bistability of driven plasma oscillations. It is remarked that the characteristic resonance peak of isothermal ion plasma oscillations appears at lower frequencies but is stronger compared to that of adiabatic ions. Comparison of the exact numerical results for fully nonlinear and approximate (weakly nonlinear) models indicates that a weakly nonlinear model exaggerates the hysteresis and jump phenomenon for higher values of the external force amplitude.

Development of a direct experimental test for any violation of the equivalence principle by the weak interaction

NASA Technical Reports Server (NTRS)

Parker, P. D. M.

1981-01-01

Violation of the equivalence principle by the weak interaction is tested. Any variation of the weak interaction coupling constant with gravitational potential, i.e., a spatial variation of the fundamental constants is investigated. The level of sensitivity required for such a measurement is estimated on the basis of the size of a change in the gravitational potential which is accessible. The alpha particle spectrum is analyzed, and the counting rate was improved by a factor of approximately 100.

Cosmology and the weak interaction

NASA Technical Reports Server (NTRS)

Schramm, David N.

1989-01-01

The weak interaction plays a critical role in modern Big Bang cosmology. Two of its most publicized comological connections are emphasized: big bang nucleosynthesis and dark matter. The first of these is connected to the cosmological prediction of neutrine flavors, N(sub nu) is approximately 3 which in now being confirmed. The second is interrelated to the whole problem of galacty and structure formation in the universe. The role of the weak interaction both for dark matter candidates and for the problem of generating seeds to form structure is demonstrated.

Supramolecular features of 2-(chlorophenyl)-3-[(chlorobenzylidene)-amino]-2,3-dihydroquinazolin-4(1H)-ones: A combined experimental and computational study

NASA Astrophysics Data System (ADS)

Mandal, Arkalekha; Patel, Bhisma K.

2018-03-01

The molecular structures of two isomeric 2-(chlorophenyl)-3-[(chlorobenzylidene)-amino] substituted 2,3-dihydroquinazolin-4(1H)-ones have been determined via single crystal XRD. Both isomers contain chloro substitutions on each of the phenyl rings and as a result a broad spectrum of halogen mediated weak interactions are viable in their crystal structures. The crystal packing of these compounds is stabilized by strong N-H⋯O hydrogen bond and various weak, non-classical hydrogen bonds acting synergistically. Both the molecules contain a chiral center and the weak interactions observed in them are either chiral self-discriminatory or chiral self-recognizing in nature. The weak interactions and spectral features of the compounds have been studied through experimental as well as computational methods including DFT, MEP, NBO and Hiresfeld surface analyses. In addition, the effect of different weak interactions to dictate either chiral self-recognition or self-discrimination in crystal packing has been elucidated.

Weak-interaction rates in stellar conditions

NASA Astrophysics Data System (ADS)

Sarriguren, Pedro

2018-05-01

Weak-interaction rates, including β-decay and electron captures, are studied in several mass regions at various densities and temperatures of astrophysical interest. In particular, we study odd-A nuclei in the pf-shell region, which are involved in presupernova formations. Weak rates are relevant to understand the late stages of the stellar evolution, as well as the nucleosynthesis of heavy nuclei. The nuclear structure involved in the weak processes is studied within a quasiparticle proton-neutron random-phase approximation with residual interactions in both particle-hole and particle-particle channels on top of a deformed Skyrme Hartree-Fock mean field with pairing correlations. First, the energy distributions of the Gamow-Teller strength are discussed and compared with the available experimental information, measured under terrestrial conditions from charge-exchange reactions. Then, the sensitivity of the weak-interaction rates to both astrophysical densities and temperatures is studied. Special attention is paid to the relative contribution to these rates of thermally populated excited states in the decaying nucleus and to the electron captures from the degenerate electron plasma.

Diffusing colloidal probes of protein-carbohydrate interactions.

PubMed

Eichmann, Shannon L; Meric, Gulsum; Swavola, Julia C; Bevan, Michael A

2013-02-19

We present diffusing colloidal probe measurements of weak, multivalent, specific protein-polysaccharide interactions mediated by a competing monosaccharide. Specifically, we used integrated evanescent wave and video microscopy methods to monitor the three-dimensional Brownian excursions of conconavilin A (ConA) decorated colloids interacting with dextran-functionalized surfaces in the presence of glucose. Particle trajectories were interpreted as binding lifetime histograms, binding isotherms, and potentials of mean force. Binding lifetimes and isotherms showed clear trends of decreasing ConA-dextran-specific binding with increasing glucose concentration, consistent with expectations. Net potentials were accurately captured by superposition of a short-range, glucose-independent ConA-dextran repulsion and a longer-range, glucose-dependent dextran bridging attraction modeled as a harmonic potential. For glucose concentrations greater than 100 mM, the net ConA-dextran potential was found to have only a nonspecific repulsion, similar to that of bovine serum albumin (BSA) decorated colloids over dextran determined in control experiments. Our results demonstrate the first use of optical microscopy methods to quantify the connections between potentials of mean force and the binding behavior of ConA-decorated colloids on dextran-functionalized surfaces.

High-resolution schemes for hyperbolic conservation laws

NASA Technical Reports Server (NTRS)

Harten, A.

1982-01-01

A class of new explicit second order accurate finite difference schemes for the computation of weak solutions of hyperbolic conservation laws is presented. These highly nonlinear schemes are obtained by applying a nonoscillatory first order accurae scheme to an appropriately modified flux function. The so derived second order accurate schemes achieve high resolution while preserving the robustness of the original nonoscillatory first order accurate scheme.

Observation of the doubly strange b-Baryon Ω b -

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jose de Jesus Hernandez Orduna

2011-02-01

This thesis reports the first experimental evidence of the doubly strange b-baryon Ω b - (ssb) following the decay channel Ω b - → J/Ψ(1S) μ +μ - Ω - Λ K - p π - in pmore » $$\\bar{p}$$ collisions at √s = 1.96 Tev. Using approximately 1.3 fb -1 of data collected with the D0 detector at the Fermilab Tevatron Collider, they observe 17.8 ± 4.9(stat) ± 0.8(syst) Ω b - signal events at 6.165 ± 0.010(stat) ± 0.013(syst) GeV/c 2 with a corresponding significance of 5.4 σ, meaning that the probability of the signal coming from a fluctuation in the background is 6.7 x 10 -8. The theoretical model we have to describe what we believe are the building blocks of nature and the interactions between them, is known as Standard Model. The Standard Model is the combination of Electroweak Theory and Quantum Chromodynamics into a single core in the attempt to include all interactions of subatomic particles except those due to gravity in a simple framework. This model has proved highly accurate in predicting certain interactions, but it does not explain all aspects of subatomic particles. For example, it cannot say how many particles there should be or what their masses are. The search goes on for a more complete theory, and in particular an unified field theory describing the strong, weak, and electromagnetic forces. Twelve elementary particles are known in the Standard Model: the Fermions. They have spin -1/2 and obey the Pauli Exclusion Principle. Fermions are divided into six Quarks: up u, down d, charm c, strange s, top t and, bottom b; and six Leptons: electron e, muon μ, ττ, electron neutrino v e, muon neutrino v μ and, τ neutrino v τ. Quarks interact via the strong force because they carry color charge, electromagnetically because of their electric charge and via the weak nuclear interaction because of the weak isospin. Quarks form color-neutral composite particles known as Hadrons which are divided in Mesons, containing a quark and an antiquark and Baryons, made up three quarks. Leptons have no color charge and can not interact via the strong force. Only three of them have electric charge, hence interact electromagnetically. The motion of non-electrically charged leptons, the neutrinos, is influenced only by the weak nuclear interaction. Every fermion have an associated antiparticle. For quarks, the antiparticle carry opposite electric charge, color charge and baryon number. For leptons, the antiparticle carry opposite electric charge and lepton number. Fermions are suitably grouped together considering their properties and three generations of them are defined. A higher generation fermion have greater mass than those in lower generations. Charged members of the first generation do not decay and form the ultimate building blocks for all the baryonic matter we know about. Charged members of higher generations have very short half lives and are found normally in high-energy environments. Non-electrically charged fermions do not decay and rarely interact with baryonic matter. The way particles interact and influence each other in the Standard Model is result from matter particles exchanging other particles, known as Force Mediating Particles. They are believed to be the reason of the existence of the forces and interactions between particles observed in the laboratory and the universe. Force mediating particles have spin 1, i.e., they are Bosons, and do not follow the Pauli Exclusion Principle. The types of force mediating particles are: the photon γ, three gauge bosons W ± and Z and, eight gluons g. Photons have no mass, the theory of Quantum Electrodynamics describe them very well and are responsible for mediation of the electromagnetic force between electrically charged particles. Gauge bosons are massive, being Z heavier than W ±. They are responsible for the mediation of the weak interactions between particles of different flavors but W ± act only on left-handed particles and right-handed antiparticles while Z with both left-handed particles and antiparticles. Due to the electric charge of W ±, they couple also to electromagnetic interactions. Photons and the three gauge bosons are grouped together and collectively mediate the electroweak interactions. Finally, gluons have no mass, the theory of Quantum Chromodynamics describe them and are responsible for the mediation of the strong interactions between particles with color charge. Having an effective color charge, gluons can interact among themselves. The Higgs Boson is the only particle in the SM without direct experimental evidence. Its detection would help in the explanation of the difference between massive bosons mediating the weak force and the massless photon mediating the electromagnetism.« less

Second-order accurate nonoscillatory schemes for scalar conservation laws

NASA Technical Reports Server (NTRS)

Huynh, Hung T.

1989-01-01

Explicit finite difference schemes for the computation of weak solutions of nonlinear scalar conservation laws is presented and analyzed. These schemes are uniformly second-order accurate and nonoscillatory in the sense that the number of extrema of the discrete solution is not increasing in time.

Unexpected weak interaction

NASA Astrophysics Data System (ADS)

2013-08-01

Stéphane Coen and Miro Erkintalo from the University of Auckland in New Zealand talk to Nature Photonics about their surprising findings regarding a weak long-range interaction they serendipitously stumbled upon while researching temporal cavity solitons.

A novel microfluidics-based method for probing weak protein-protein interactions.

PubMed

Tan, Darren Cherng-wen; Wijaya, I Putu Mahendra; Andreasson-Ochsner, Mirjam; Vasina, Elena Nikolaevna; Nallani, Madhavan; Hunziker, Walter; Sinner, Eva-Kathrin

2012-08-07

We report the use of a novel microfluidics-based method to detect weak protein-protein interactions between membrane proteins. The tight junction protein, claudin-2, synthesised in vitro using a cell-free expression system in the presence of polymer vesicles as membrane scaffolds, was used as a model membrane protein. Individual claudin-2 molecules interact weakly, although the cumulative effect of these interactions is significant. This effect results in a transient decrease of average vesicle dispersivity and reduction in transport speed of claudin-2-functionalised vesicles. Polymer vesicles functionalised with claudin-2 were perfused through a microfluidic channel and the time taken to traverse a defined distance within the channel was measured. Functionalised vesicles took 1.19 to 1.69 times longer to traverse this distance than unfunctionalised ones. Coating the channel walls with protein A and incubating the vesicles with anti-claudin-2 antibodies prior to perfusion resulted in the functionalised vesicles taking 1.75 to 2.5 times longer to traverse this distance compared to the controls. The data show that our system is able to detect weak as well as strong protein-protein interactions. This system offers researchers a portable, easily operated and customizable platform for the study of weak protein-protein interactions, particularly between membrane proteins.

Macroion solutions in the cell model studied by field theory and Monte Carlo simulations.

PubMed

Lue, Leo; Linse, Per

2011-12-14

Aqueous solutions of charged spherical macroions with variable dielectric permittivity and their associated counterions are examined within the cell model using a field theory and Monte Carlo simulations. The field theory is based on separation of fields into short- and long-wavelength terms, which are subjected to different statistical-mechanical treatments. The simulations were performed by using a new, accurate, and fast algorithm for numerical evaluation of the electrostatic polarization interaction. The field theory provides counterion distributions outside a macroion in good agreement with the simulation results over the full range from weak to strong electrostatic coupling. A low-dielectric macroion leads to a displacement of the counterions away from the macroion. © 2011 American Institute of Physics

Nanostructured Composites: Effective Mechanical Property Determination of Nanotube Bundles

NASA Technical Reports Server (NTRS)

Saether, E.; Pipes, R. B.; Frankland, S. J. V.

2002-01-01

Carbon nanotubes naturally tend to form crystals in the form of hexagonally packed bundles or ropes that should exhibit a transversely isotropic constitutive behavior. Although the intratube axial stiffness is on the order of 1 TPa due to a strong network of delocalized bonds, the intertube cohesive strength is orders of magnitude less controlled by weak, nonbonding van der Waals interactions. An accurate determination of the effective mechanical properties of nanotube bundles is important to assess potential structural applications such as reinforcement in future composite material systems. A direct method for calculating effective material constants is developed in the present study. The Lennard-Jones potential is used to model the nonbonding cohesive forces. A complete set of transverse moduli are obtained and compared with existing data.

Numerical models of volcanic eruption plumes: inter-comparison and sensitivity

NASA Astrophysics Data System (ADS)

Costa, Antonio; Suzuki, Yujiro; Folch, Arnau; Cioni, Raffaello

2016-10-01

The accurate description of the dynamics of convective plumes developed during explosive volcanic eruptions represents one of the most crucial and intriguing challenges in volcanology. Eruptive plume dynamics are significantly affected by complex interactions with the surrounding atmosphere, in the case of both strong eruption columns, rising vertically above the tropopause, and weak volcanic plumes, developing within the troposphere and often following bended trajectories. The understanding of eruptive plume dynamics is pivotal for estimating mass flow rates of volcanic sources, a crucial aspect for tephra dispersion models used to assess aviation safety and tephra fallout hazard. For these reasons, several eruption column models have been developed in the past decades, including the more recent sophisticated computational fluid dynamic models.

Perturbations to trophic interactions and the stability of complex food webs

PubMed Central

O'Gorman, Eoin J.; Emmerson, Mark C.

2009-01-01

The pattern of predator–prey interactions is thought to be a key determinant of ecosystem processes and stability. Complex ecological networks are characterized by distributions of interaction strengths that are highly skewed, with many weak and few strong interactors present. Theory suggests that this pattern promotes stability as weak interactors dampen the destabilizing potential of strong interactors. Here, we present an experimental test of this hypothesis and provide empirical evidence that the loss of weak interactors can destabilize communities in nature. We ranked 10 marine consumer species by the strength of their trophic interactions. We removed the strongest and weakest of these interactors from experimental food webs containing >100 species. Extinction of strong interactors produced a dramatic trophic cascade and reduced the temporal stability of key ecosystem process rates, community diversity and resistance to changes in community composition. Loss of weak interactors also proved damaging for our experimental ecosystems, leading to reductions in the temporal and spatial stability of ecosystem process rates, community diversity, and resistance. These results highlight the importance of conserving species to maintain the stabilizing pattern of trophic interactions in nature, even if they are perceived to have weak effects in the system. PMID:19666606

Evidence of C-F-P and aromatic π-F-P weak interactions in imidazolium ionic liquids and its consequences

NASA Astrophysics Data System (ADS)

Panja, Sumit Kumar; Srivastava, Nitin; Srivastava, Jyoti; Prasad, Namburi Eswara; Noothalapati, Hemanth; Shigeto, Shinsuke; Saha, Satyen

2018-04-01

A simple change from alkyl group to alkene in side chain of imidazolium cation with same anion resulted in a drastic impact on physical properties (e.g., melting point) from bmimPF6 IL to cmimPF6 IL. The underlying reasons have been elucidated by structural and interaction studies with the help of DSC, SCXRD, vibrational and multi-nuclear NMR spectroscopic techniques. Experiments reveal existence of new weak interactions involving the carbon and π cloud of the imidazolium aromatic ring with fluoride of PF6 anion (i.e., C2-F-P and π-F-P) in cmimPF6 but are absent in structurally similar prototype IL, bmimPF6. Though weak, these interactions helped to form ladder type supramolecular arrangement, resulting in quite high melting point for cmimPF6 IL compared to bmimPF6 IL. These findings emphasize that an IL system can behave uniquely because of the existence of uncommon weak interactions.

Task by stimulus interactions in brain responses during Chinese character processing.

PubMed

Yang, Jianfeng; Wang, Xiaojuan; Shu, Hua; Zevin, Jason D

2012-04-02

In the visual word recognition literature, it is well understood that various stimulus effects interact with behavioral task. For example, effects of word frequency are exaggerated and effects of spelling-to-sound regularity are reduced in the lexical decision task, relative to reading aloud. Neuroimaging studies of reading often examine effects of task and stimulus properties on brain activity independently, but potential interactions between task demands and stimulus effects have not been extensively explored. To address this issue, we conducted lexical decision and symbol detection tasks using stimuli that varied parametrically in their word-likeness, and tested for task by stimulus class interactions. Interactions were found throughout the reading system, such that stimulus selectivity was observed during the lexical decision task, but not during the symbol detection task. Further, the pattern of stimulus selectivity was directly related to task difficulty, so that the strongest brain activity was observed to the most word-like stimuli that required "no" responses, whereas brain activity to words, which elicit rapid and accurate "yes" responses were relatively weak. This is in line with models that argue for task-dependent specialization of brain regions, and contrasts with the notion of task-independent stimulus selectivity in the reading system. Copyright © 2012 Elsevier Inc. All rights reserved.

Using an innovative multiple regression procedure in a cancer population (Part 1): detecting and probing relationships of common interacting symptoms (pain, fatigue/weakness, sleep problems) as a strategy to discover influential symptom pairs and clusters

PubMed Central

Francoeur, Richard B

2015-01-01

Background The majority of patients with advanced cancer experience symptom pairs or clusters among pain, fatigue, and insomnia. Improved methods are needed to detect and interpret interactions among symptoms or diesease markers to reveal influential pairs or clusters. In prior work, I developed and validated sequential residual centering (SRC), a method that improves the sensitivity of multiple regression to detect interactions among predictors, by conditioning for multicollinearity (shared variation) among interactions and component predictors. Materials and methods Using a hypothetical three-way interaction among pain, fatigue, and sleep to predict depressive affect, I derive and explain SRC multiple regression. Subsequently, I estimate raw and SRC multiple regressions using real data for these symptoms from 268 palliative radiation outpatients. Results Unlike raw regression, SRC reveals that the three-way interaction (pain × fatigue/weakness × sleep problems) is statistically significant. In follow-up analyses, the relationship between pain and depressive affect is aggravated (magnified) within two partial ranges: 1) complete-to-some control over fatigue/weakness when there is complete control over sleep problems (ie, a subset of the pain–fatigue/weakness symptom pair), and 2) no control over fatigue/weakness when there is some-to-no control over sleep problems (ie, a subset of the pain–fatigue/weakness–sleep problems symptom cluster). Otherwise, the relationship weakens (buffering) as control over fatigue/weakness or sleep problems diminishes. Conclusion By reducing the standard error, SRC unmasks a three-way interaction comprising a symptom pair and cluster. Low-to-moderate levels of the moderator variable for fatigue/weakness magnify the relationship between pain and depressive affect. However, when the comoderator variable for sleep problems accompanies fatigue/weakness, only frequent or unrelenting levels of both symptoms magnify the relationship. These findings suggest that a countervailing mechanism involving depressive affect could account for the effectiveness of a cognitive behavioral intervention to reduce the severity of a pain, fatigue, and sleep disturbance cluster in a previous randomized trial. PMID:25565865

Quantifying and partitioning the soil phosphorus of seven Hawaiian soils as extracted by the Olsen and Truog methods

USDA-ARS?s Scientific Manuscript database

Accurate quantification of available phosphorus (P) in tropical soils is important for fertilizer P recommendation. Two intrinsic P pools including weakly and tightly adsorbed P pools were recently proposed to quantify soil available P, and the weakly adsorbed P pool can be measured with the Olsen m...

A general range-separated double-hybrid density-functional theory

NASA Astrophysics Data System (ADS)

Kalai, Cairedine; Toulouse, Julien

2018-04-01

A range-separated double-hybrid (RSDH) scheme which generalizes the usual range-separated hybrids and double hybrids is developed. This scheme consistently uses a two-parameter Coulomb-attenuating-method (CAM)-like decomposition of the electron-electron interaction for both exchange and correlation in order to combine Hartree-Fock exchange and second-order Møller-Plesset (MP2) correlation with a density functional. The RSDH scheme relies on an exact theory which is presented in some detail. Several semi-local approximations are developed for the short-range exchange-correlation density functional involved in this scheme. After finding optimal values for the two parameters of the CAM-like decomposition, the RSDH scheme is shown to have a relatively small basis dependence and to provide atomization energies, reaction barrier heights, and weak intermolecular interactions globally more accurate or comparable to range-separated MP2 or standard MP2. The RSDH scheme represents a new family of double hybrids with minimal empiricism which could be useful for general chemical applications.

Search for a Scalar Component in the Weak Interaction

NASA Astrophysics Data System (ADS)

Zakoucky, Dalibor; Baczyk, Pavel; Ban, Gilles; Beck, Marcus; Breitenfeldt, Martin; Couratin, Claire; Fabian, Xavier; Finlay, Paul; Flechard, Xavier; Friedag, Peter; Glück, Ferenc; Herlert, Alexander; Knecht, Andreas; Kozlov, Valentin; Lienard, Etienne; Porobic, Tomica; Soti, Gergelj; Tandecki, Michael; Vangorp, Simon; Weinheimer, Christian; Wursten, Elise; Severijns, Nathal

Weak interactions are described by the Standard Model which uses the basic assumption of a pure "V(ector)-A(xial vector)" character for the interaction. However, after more than half a century of model development and experimental testing of its fundamental ingredients, experimental limits for possible admixtures of scalar and/or tensor interactions are still as high as 7%. The WITCH project (Weak Interaction Trap for CHarged particles) at the isotope separator ISOLDE at CERN is trying to probe the structure of the weak interaction in specific low energy β-decays in order to look for possible scalar or tensor components or at least significantly improve the current experimental limits. This worldwide unique experimental setup consisting of a combination of two Penning ion traps and a retardation spectrometer allows to catch, trap and cool the radioactive nuclei provided by the ISOLDE separator, form a cooled and scattering-free radioactive source of β-decaying nuclei and let these nuclei decay at rest. The precise measurement of the shape of the energy spectrum of the recoiling nuclei, the shape of which is very sensitive to the character of the weak interaction, enables searching for a possible admixture of a scalar/tensor component in the dominant vector/axial vector mode. First online measurements with the isotope 35Ar were performed in 2011 and 2012. The current status of the experiment, the data analysis and results as well as extensive simulations will be presented and discussed.

An Investigation of Human-Computer Interaction Approaches Beneficial to Weak Learners in Complex Animation Learning

ERIC Educational Resources Information Center

Yeh, Yu-Fang

2016-01-01

Animation is one of the useful contemporary educational technologies in teaching complex subjects. There is a growing interest in proper use of learner-technology interaction to promote learning quality for different groups of learner needs. The purpose of this study is to investigate if an interaction approach supports weak learners, who have…

Alternative method of quantum state tomography toward a typical target via a weak-value measurement

NASA Astrophysics Data System (ADS)

Chen, Xi; Dai, Hong-Yi; Yang, Le; Zhang, Ming

2018-03-01

There is usually a limitation of weak interaction on the application of weak-value measurement. This limitation dominates the performance of the quantum state tomography toward a typical target in the finite and high-dimensional complex-valued superposition of its basis states, especially when the compressive sensing technique is also employed. Here we propose an alternative method of quantum state tomography, presented as a general model, toward such typical target via weak-value measurement to overcome such limitation. In this model the pointer for the weak-value measurement is a qubit, and the target-pointer coupling interaction is no longer needed within the weak interaction limitation, meanwhile this interaction under the compressive sensing can be described with the Taylor series of the unitary evolution operator. The postselection state at the target is the equal superposition of all basis states, and the pointer readouts are gathered under multiple Pauli operator measurements. The reconstructed quantum state is generated from an optimization algorithm of total variation augmented Lagrangian alternating direction algorithm. Furthermore, we demonstrate an example of this general model for the quantum state tomography toward the planar laser-energy distribution and discuss the relations among some parameters at both our general model and the original first-order approximate model for this tomography.

The three-body problem with short-range interactions

NASA Astrophysics Data System (ADS)

Nielsen, E.; Fedorov, D. V.; Jensen, A. S.; Garrido, E.

2001-06-01

The quantum mechanical three-body problem is studied for general short-range interactions. We work in coordinate space to facilitate accurate computations of weakly bound and spatially extended systems. Hyperspherical coordinates are used in both the interpretation and as an integral part of the numerical method. Universal properties and model independence are discussed throughout the report. We present an overview of the hyperspherical adiabatic Faddeev equations. The wave function is expanded on hyperspherical angular eigenfunctions which in turn are found numerically using the Faddeev equations. We generalize the formalism to any dimension of space d greater or equal to two. We present two numerical techniques for solving the Faddeev equations on the hypersphere. These techniques are effective for short and intermediate/large distances including use for hard core repulsive potentials. We study the asymptotic limit of large hyperradius and derive the analytic behaviour of the angular eigenvalues and eigenfunctions. We discuss four applications of the general method. We first analyze the Efimov and Thomas effects for arbitrary angular momenta and for arbitrary dimensions d. Second we apply the method to extract the general behaviour of weakly bound three-body systems in two dimensions. Third we illustrate the method in three dimensions by structure computations of Borromean halo nuclei, the hypertriton and helium molecules. Fourth we investigate in three dimensions three-body continuum properties of Borromean halo nuclei and recombination reactions of helium atoms as an example of direct relevance for the stability of Bose-Einstein condensates.

Rotation-induced nonlinear wavepackets in internal waves

DOE Office of Scientific and Technical Information (OSTI.GOV)

Whitfield, A. J., E-mail: ashley.whitfield.12@ucl.ac.uk; Johnson, E. R., E-mail: e.johnson@ucl.ac.uk

2014-05-15

The long time effect of weak rotation on an internal solitary wave is the decay into inertia-gravity waves and the eventual formation of a localised wavepacket. Here this initial value problem is considered within the context of the Ostrovsky, or the rotation-modified Korteweg-de Vries (KdV), equation and a numerical method for obtaining accurate wavepacket solutions is presented. The flow evolutions are described in the regimes of relatively-strong and relatively-weak rotational effects. When rotational effects are relatively strong a second-order soliton solution of the nonlinear Schrödinger equation accurately predicts the shape, and phase and group velocities of the numerically determined wavepackets.more » It is suggested that these solitons may form from a local Benjamin-Feir instability in the inertia-gravity wave-train radiated when a KdV solitary wave rapidly adjusts to the presence of strong rotation. When rotational effects are relatively weak the initial KdV solitary wave remains coherent longer, decaying only slowly due to weak radiation and modulational instability is no longer relevant. Wavepacket solutions in this regime appear to consist of a modulated KdV soliton wavetrain propagating on a slowly varying background of finite extent.« less

Astrophysical uncertainties on the local dark matter distribution and direct detection experiments

NASA Astrophysics Data System (ADS)

Green, Anne M.

2017-08-01

The differential event rate in weakly interacting massive particle (WIMP) direct detection experiments depends on the local dark matter density and velocity distribution. Accurate modelling of the local dark matter distribution is therefore required to obtain reliable constraints on the WIMP particle physics properties. Data analyses typically use a simple standard halo model which might not be a good approximation to the real Milky Way (MW) halo. We review observational determinations of the local dark matter density, circular speed and escape speed and also studies of the local dark matter distribution in simulated MW-like galaxies. We discuss the effects of the uncertainties in these quantities on the energy spectrum and its time and direction dependence. Finally, we conclude with an overview of various methods for handling these astrophysical uncertainties.

Classical calculation of the equilibrium constants for true bound dimers using complete potential energy surface.

PubMed

Buryak, Ilya; Vigasin, Andrey A

2015-12-21

The present paper aims at deriving classical expressions which permit calculation of the equilibrium constant for weakly interacting molecular pairs using a complete multidimensional potential energy surface. The latter is often available nowadays as a result of the more and more sophisticated and accurate ab initio calculations. The water dimer formation is considered as an example. It is shown that even in case of a rather strongly bound dimer the suggested expression permits obtaining quite reliable estimate for the equilibrium constant. The reliability of our obtained water dimer equilibrium constant is briefly discussed by comparison with the available data based on experimental observations, quantum calculations, and the use of RRHO approximation, provided the latter is restricted to formation of true bound states only.

Classical calculation of the equilibrium constants for true bound dimers using complete potential energy surface

DOE Office of Scientific and Technical Information (OSTI.GOV)

Buryak, Ilya; Vigasin, Andrey A., E-mail: vigasin@ifaran.ru

The present paper aims at deriving classical expressions which permit calculation of the equilibrium constant for weakly interacting molecular pairs using a complete multidimensional potential energy surface. The latter is often available nowadays as a result of the more and more sophisticated and accurate ab initio calculations. The water dimer formation is considered as an example. It is shown that even in case of a rather strongly bound dimer the suggested expression permits obtaining quite reliable estimate for the equilibrium constant. The reliability of our obtained water dimer equilibrium constant is briefly discussed by comparison with the available data basedmore » on experimental observations, quantum calculations, and the use of RRHO approximation, provided the latter is restricted to formation of true bound states only.« less

Comparison of localized basis and plane-wave basis for density-functional calculations of organic molecules on metals

NASA Astrophysics Data System (ADS)

Lee, Kyuho; Yu, Jaejun; Morikawa, Yoshitada

2007-01-01

Localized pseudoatomic orbitals (PAOs) are mainly optimized and tested for the strong chemical bonds within molecules and solids with their proven accuracy and efficiency, but are prone to significant basis set superposition error (BSSE) for weakly interacting systems. Here we test the accuracy of PAO basis in comparison with the BSSE-free plane-wave basis for the physisorption of pentacene molecule on Au (001) by calculating the binding energy, adsorption height, and energy level alignment. We show that both the large cutoff radius for localized PAOs and the counter-poise correction for BSSE are necessary to obtain well-converged physical properties. Thereby obtained results are as accurate as the plane-wave basis results. The comparison with experiment is given as well.

Simultaneous Solar Maximum Mission (SMM) and very large array observations of solar active regions

NASA Technical Reports Server (NTRS)

Lang, K. R.

1986-01-01

The research deals mainly with Very Large Array and Solar Maximum Mission observations of the ubiquitous coronal loops that dominate the structure of the low corona. As illustrated, the observations of thermal cyclotron lines at microwave wavelengths provide a powerful new method of accurately specifying the coronal magnetic field strength. Processes are delineated that trigger solar eruptions from coronal loops, including preburst heating and the magnetic interaction of coronal loops. Evidence for coherent burst mechanisms is provided for both the Sun and nearby stars, while other observations suggest the presence of currents that may amplify the coronal magnetic field to unexpectedly high levels. The existence is reported of a new class of compact, variable moving sources in regions of apparently weak photospheric field.

Weak Interactions Group

Science.gov Websites

Weak Interactions Group UC Berkeley UC Berkeley Physics Lawrence Berkeley Lab Nuclear Science Division at LBL Physics Division at LBL Phonebook A-Z Index Navigation Home Members Research Projects CUORE Design Concept Berkeley Projects People Publications Contact Links KamLAND Physics Impact Neutrino

Turbulence of Weak Gravitational Waves in the Early Universe.

PubMed

Galtier, Sébastien; Nazarenko, Sergey V

2017-12-01

We study the statistical properties of an ensemble of weak gravitational waves interacting nonlinearly in a flat space-time. We show that the resonant three-wave interactions are absent and develop a theory for four-wave interactions in the reduced case of a 2.5+1 diagonal metric tensor. In this limit, where only plus-polarized gravitational waves are present, we derive the interaction Hamiltonian and consider the asymptotic regime of weak gravitational wave turbulence. Both direct and inverse cascades are found for the energy and the wave action, respectively, and the corresponding wave spectra are derived. The inverse cascade is characterized by a finite-time propagation of the metric excitations-a process similar to an explosive nonequilibrium Bose-Einstein condensation, which provides an efficient mechanism to ironing out small-scale inhomogeneities. The direct cascade leads to an accumulation of the radiation energy in the system. These processes might be important for understanding the early Universe where a background of weak nonlinear gravitational waves is expected.

Challenges and dreams: physics of weak interactions essential to life

PubMed Central

Chien, Peter; Gierasch, Lila M.

2014-01-01

Biological systems display stunning capacities to self-organize. Moreover, their subcellular architectures are dynamic and responsive to changing needs and conditions. Key to these properties are manifold weak “quinary” interactions that have evolved to create specific spatial networks of macromolecules. These specific arrangements of molecules enable signals to be propagated over distances much greater than molecular dimensions, create phase separations that define functional regions in cells, and amplify cellular responses to changes in their environments. A major challenge is to develop biochemical tools and physical models to describe the panoply of weak interactions operating in cells. We also need better approaches to measure the biases in the spatial distributions of cellular macromolecules that result from the integrated action of multiple weak interactions. Partnerships between cell biologists, biochemists, and physicists are required to deploy these methods. Together these approaches will help us realize the dream of understanding the biological “glue” that sustains life at a molecular and cellular level. PMID:25368424

Electrodynamics of Lipid Membrane Interactions in the Presence of Zwitterionic Buffers

PubMed Central

Koerner, Megan M.; Palacio, Luis A.; Wright, Johnnie W.; Schweitzer, Kelly S.; Ray, Bruce D.; Petrache, Horia I.

2011-01-01

Due to thermal motion and molecular polarizability, electrical interactions in biological systems have a dynamic character. Zwitterions are dipolar molecules that typically are highly polarizable and exhibit both a positive and a negative charge depending on the pH of the solution. We use multilamellar structures of common lipids to identify and quantify the effects of zwitterionic buffers that go beyond the control of pH. We use the fact that the repeat spacing of multilamellar lipid bilayers is a sensitive and accurate indicator of the force balance between membranes. We show that common buffers can in fact charge up neutral membranes. However, this electrostatic effect is not immediately recognized because of the concomitant modification of dispersion (van der Waals) forces. We show that although surface charging can be weak, electrostatic forces are significant even at large distances because of reduced ionic screening and reduced van der Waals attraction. The zwitterionic interactions that we identify are expected to be relevant for interfacial biological processes involving lipid bilayers, and for a wide range of biomaterials, including amino acids, detergents, and pharmaceutical drugs. An appreciation of zwitterionic electrodynamic character can lead to a better understanding of molecular interactions in biological systems and in soft materials in general. PMID:21767488

Quantum controlled-Z gate for weakly interacting qubits

NASA Astrophysics Data System (ADS)

Mičuda, Michal; Stárek, Robert; Straka, Ivo; Miková, Martina; Dušek, Miloslav; Ježek, Miroslav; Filip, Radim; Fiurášek, Jaromír

2015-08-01

We propose and experimentally demonstrate a scheme for the implementation of a maximally entangling quantum controlled-Z gate between two weakly interacting systems. We conditionally enhance the interqubit coupling by quantum interference. Both before and after the interqubit interaction, one of the qubits is coherently coupled to an auxiliary quantum system, and finally it is projected back onto qubit subspace. We experimentally verify the practical feasibility of this technique by using a linear optical setup with weak interferometric coupling between single-photon qubits. Our procedure is universally applicable to a wide range of physical platforms including hybrid systems such as atomic clouds or optomechanical oscillators coupled to light.

Simulation of the weakly interacting Bose gas relaxation for cases of various interaction types

NASA Astrophysics Data System (ADS)

Kartsev, P. F.; Kuznetsov, I. O.

2017-12-01

In this work, we investigate the role of interactions in the process of thermalization of a weakly interacting Bose gas. The system of kinetic equations based on the ‘Fermi’s golden rule’ is solved numerically using special transformation for calculation efficiency. We study the distribution function for particles in various conditions, including interaction with phonon subsystem, i.e. energy exchange with thermal bath. The possibility to achieve the state of Bose-Einstein condensation with specific values of parameters, is also discussed.

Observation of a quadrupole interaction for cubic imperfections exhibiting a dynamic Jahn-Teller effect.

NASA Technical Reports Server (NTRS)

Herrington, J. R.; Estle, T. L.; Boatner, L. A.

1972-01-01

The observation and interpretation of weak EPR transitions, identified as 'forbidden' transitions, establish the existence of a new type of quadrupole interaction for cubic-symmetry imperfections. This interaction is simply a consequence of the ground-vibronic-state degeneracy. The signs as well as the magnitudes of the quadrupole-coupling coefficients are determined experimentally. These data agree well with the predictions of crystal field theory modified to account for a weak-to-moderate vibronic interaction (i.e., a dynamic Jahn-Teller effect).

Interpretation of neutrino-matter interactions at low energies as contraction of gauge group of Electroweak Model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gromov, N. A., E-mail: gromov@dm.komisc.ru

The very weak neutrino-matter interactions are explained with the help of the gauge group contraction of the standard Electroweak Model. The mathematical contraction procedure is connected with the energy dependence of the interaction cross section for neutrinos and corresponds to the limiting case of the Electroweak Model at low energies. Contraction parameter is connected with the universal Fermi constant of weak interactions and neutrino energy as j{sup 2}(s) = {radical}(G{sub F} s)

Weak decays of heavy hadrons into dynamically generated resonances

DOE PAGES

Oset, Eulogio; Liang, Wei -Hong; Bayar, Melahat; ...

2016-01-28

In this study, we present a review of recent works on weak decay of heavy mesons and baryons with two mesons, or a meson and a baryon, interacting strongly in the final state. The aim is to learn about the interaction of hadrons and how some particular resonances are produced in the reactions. It is shown that these reactions have peculiar features and act as filters for some quantum numbers which allow to identify easily some resonances and learn about their nature. The combination of basic elements of the weak interaction with the framework of the chiral unitary approach allowmore » for an interpretation of results of many reactions and add a novel information to different aspects of the hadron interaction and the properties of dynamically generated resonances.« less

Radiative Energy Loss by Galactic Cosmic Rays

NASA Technical Reports Server (NTRS)

Ahern, Sean C.; Norbury, John W.; Tripathi, R. K.

2002-01-01

Interactions between galactic cosmic rays and matter are a primary focus of the NASA radiation problem. The electromagnetic forces involved are for the most part well documented. Building on previous research, this study investigated the relative importance of the weak forces that occur when a cosmic ray impinges on different types of materials. For the familiar electromagnetic case, it is known that energy lost in the form of radiation is more significant than that lost via contact collisions the rate at which the energy is lost is also well understood. Similar results were derived for the weak force case. It was found that radiation is also the dominant mode of energy loss in weak force interactions and that weak force effects are indeed relatively weak compared to electromagnetic effects.

Bayesian Variable Selection for Hierarchical Gene-Environment and Gene-Gene Interactions

PubMed Central

Liu, Changlu; Ma, Jianzhong; Amos, Christopher I.

2014-01-01

We propose a Bayesian hierarchical mixture model framework that allows us to investigate the genetic and environmental effects, gene by gene interactions and gene by environment interactions in the same model. Our approach incorporates the natural hierarchical structure between the main effects and interaction effects into a mixture model, such that our methods tend to remove the irrelevant interaction effects more effectively, resulting in more robust and parsimonious models. We consider both strong and weak hierarchical models. For a strong hierarchical model, both of the main effects between interacting factors must be present for the interactions to be considered in the model development, while for a weak hierarchical model, only one of the two main effects is required to be present for the interaction to be evaluated. Our simulation results show that the proposed strong and weak hierarchical mixture models work well in controlling false positive rates and provide a powerful approach for identifying the predisposing effects and interactions in gene-environment interaction studies, in comparison with the naive model that does not impose this hierarchical constraint in most of the scenarios simulated. We illustrated our approach using data for lung cancer and cutaneous melanoma. PMID:25154630

Theoretical studies of weak interactions of formamide with methanol and its derivates

NASA Astrophysics Data System (ADS)

Zheng, Xiao-Wen; Wang, Lu; Han, Shu-Min; Cui, Xiang-Yang; Du, Chong-Yang; Liu, Tao

2015-08-01

Theoretical calculations have been performed for the complexes of formamide (FA) with methanol and its derivates (MAX, X = F, Cl, Br, NO2, H, OH, CH3, and NH2) to study their structures and properties. Substituent effects on the hydrogen bond (H-bond) strength and cooperative effect by using water and its derivatives (HOZ, Z = H, NH2, and Br) as weak interaction probe were also explored. The calculation results show that electron-donating groups strengthen the weak interaction between formamide with methanol whereas electron-withdrawing groups weaken it. The cooperativity is present for the N-HïO H-bond in MAX-FA-HOZ and the cooperative effect increases in a series HONH2, HOH, and HOBr. In addition, we investigated the interaction between FA with hypohalous acids HOY (Y = F, Cl, and Br). It was found that the weak interaction between FA and HOY became stronger with the increase of the size of halogen atom. The nature of the halogen atom has negligible impact on the strength of the H-bond in MAX-FA (X = F, Cl, and Br), whereas it has an obvious influence on the strength of the H-bond in HOY-FA (Y = F, Cl, and Br).

Loss of functionally unique species may gradually undermine ecosystems

PubMed Central

O'Gorman, Eoin J.; Yearsley, Jon M.; Crowe, Tasman P.; Emmerson, Mark C.; Jacob, Ute; Petchey, Owen L.

2011-01-01

Functionally unique species contribute to the functional diversity of natural systems, often enhancing ecosystem functioning. An abundance of weakly interacting species increases stability in natural systems, suggesting that loss of weakly linked species may reduce stability. Any link between the functional uniqueness of a species and the strength of its interactions in a food web could therefore have simultaneous effects on ecosystem functioning and stability. Here, we analyse patterns in 213 real food webs and show that highly unique species consistently tend to have the weakest mean interaction strength per unit biomass in the system. This relationship is not a simple consequence of the interdependence of both measures on body size and appears to be driven by the empirical pattern of size structuring in aquatic systems and the trophic position of each species in the web. Food web resolution also has an important effect, with aggregation of species into higher taxonomic groups producing a much weaker relationship. Food webs with fewer unique and less weakly interacting species also show significantly greater variability in their levels of primary production. Thus, the loss of highly unique, weakly interacting species may eventually lead to dramatic state changes and unpredictable levels of ecosystem functioning. PMID:21106593

Performance of the strongly constrained and appropriately normed density functional for solid-state materials

DOE PAGES

Isaacs, Eric B.; Wolverton, Chris

2018-06-22

Constructed to satisfy 17 known exact constraints for a semilocal density functional, the strongly constrained and appropriately normed (SCAN) meta-generalized-gradient-approximation functional has shown early promise for accurately describing the electronic structure of molecules and solids. One open question is how well SCAN predicts the formation energy, a key quantity for describing the thermodynamic stability of solid-state compounds. To answer this question, we perform an extensive benchmark of SCAN by computing the formation energies for a diverse group of nearly 1000 crystalline compounds for which experimental values are known. Due to an enhanced exchange interaction in the covalent bonding regime, SCANmore » substantially decreases the formation energy errors for strongly bound compounds, by approximately 50% to 110 meV/atom, as compared to the generalized gradient approximation of Perdew, Burke, and Ernzerhof (PBE). However, for intermetallic compounds, SCAN performs moderately worse than PBE with an increase in formation energy error of approximately 20%, stemming from SCAN's distinct behavior in the weak bonding regime. The formation energy errors can be further reduced via elemental chemical potential fitting. We find that SCAN leads to significantly more accurate predicted crystal volumes, moderately enhanced magnetism, and mildly improved band gaps as compared to PBE. Altogether, SCAN represents a significant improvement in accurately describing the thermodynamics of strongly bound compounds.« less

Performance of the strongly constrained and appropriately normed density functional for solid-state materials

DOE Office of Scientific and Technical Information (OSTI.GOV)

Isaacs, Eric B.; Wolverton, Chris

Constructed to satisfy 17 known exact constraints for a semilocal density functional, the strongly constrained and appropriately normed (SCAN) meta-generalized-gradient-approximation functional has shown early promise for accurately describing the electronic structure of molecules and solids. One open question is how well SCAN predicts the formation energy, a key quantity for describing the thermodynamic stability of solid-state compounds. To answer this question, we perform an extensive benchmark of SCAN by computing the formation energies for a diverse group of nearly 1000 crystalline compounds for which experimental values are known. Due to an enhanced exchange interaction in the covalent bonding regime, SCANmore » substantially decreases the formation energy errors for strongly bound compounds, by approximately 50% to 110 meV/atom, as compared to the generalized gradient approximation of Perdew, Burke, and Ernzerhof (PBE). However, for intermetallic compounds, SCAN performs moderately worse than PBE with an increase in formation energy error of approximately 20%, stemming from SCAN's distinct behavior in the weak bonding regime. The formation energy errors can be further reduced via elemental chemical potential fitting. We find that SCAN leads to significantly more accurate predicted crystal volumes, moderately enhanced magnetism, and mildly improved band gaps as compared to PBE. Altogether, SCAN represents a significant improvement in accurately describing the thermodynamics of strongly bound compounds.« less

Search for a light Higgs boson decaying to long-lived weakly interacting particles in proton-proton collisions at sqrt[s] = 7 TeV with the ATLAS detector.

PubMed

Aad, G; Abbott, B; Abdallah, J; Abdelalim, A A; Abdesselam, A; Abdinov, O; Abi, B; Abolins, M; Abouzeid, O S; Abramowicz, H; Abreu, H; Acerbi, E; Acharya, B S; Adamczyk, L; Adams, D L; Addy, T N; Adelman, J; Aderholz, M; Adomeit, S; Adragna, P; Adye, T; Aefsky, S; Aguilar-Saavedra, J A; Aharrouche, M; Ahlen, S P; Ahles, F; Ahmad, A; Ahsan, M; Aielli, G; Akdogan, T; Akesson, T P A; Akimoto, G; Akimov, A V; Akiyama, A; Alam, M S; Alam, M A; Albert, J; Albrand, S; Aleksa, M; Aleksandrov, I N; Alessandria, F; Alexa, C; Alexander, G; Alexandre, G; Alexopoulos, T; Alhroob, M; Aliev, M; Alimonti, G; Alison, J; Aliyev, M; Allport, P P; Allwood-Spiers, S E; Almond, J; Aloisio, A; Alon, R; Alonso, A; Alvarez Gonzalez, B; Alviggi, M G; Amako, K; Amaral, P; Amelung, C; Ammosov, V V; Amorim, A; Amorós, G; Amram, N; Anastopoulos, C; Ancu, L S; Andari, N; Andeen, T; Anders, C F; Anders, G; Anderson, K J; Andreazza, A; Andrei, V; Andrieux, M-L; Anduaga, X S; Angerami, A; Anghinolfi, F; Anisenkov, A; Anjos, N; Annovi, A; Antonaki, A; Antonelli, M; Antonov, A; Antos, J; Anulli, F; Aoun, S; Aperio Bella, L; Apolle, R; Arabidze, G; Aracena, I; Arai, Y; Arce, A T H; Archambault, J P; Arfaoui, S; Arguin, J-F; Arik, E; Arik, M; Armbruster, A J; Arnaez, O; Arnault, C; Artamonov, A; Artoni, G; Arutinov, D; Asai, S; Asfandiyarov, R; Ask, S; Asman, B; Asquith, L; Assamagan, K; Astbury, A; Astvatsatourov, A; Aubert, B; Auge, E; Augsten, K; Aurousseau, M; Avolio, G; Avramidou, R; Axen, D; Ay, C; Azuelos, G; Azuma, Y; Baak, M A; Baccaglioni, G; Bacci, C; Bach, A M; Bachacou, H; Bachas, K; Bachy, G; Backes, M; Backhaus, M; Badescu, E; Bagnaia, P; Bahinipati, S; Bai, Y; Bailey, D C; Bain, T; Baines, J T; Baker, O K; Baker, M D; Baker, S; Banas, E; Banerjee, P; Banerjee, Sw; Banfi, D; Bangert, A; Bansal, V; Bansil, H S; Barak, L; Baranov, S P; Barashkou, A; Barbaro Galtieri, A; Barber, T; Barberio, E L; Barberis, D; Barbero, M; Bardin, D Y; Barillari, T; Barisonzi, M; Barklow, T; Barlow, N; Barnett, B M; Barnett, R M; 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Stelzer-Chilton, O; Stenzel, H; Stern, S; Stevenson, K; Stewart, G A; Stillings, J A; Stockton, M C; Stoerig, K; Stoicea, G; Stonjek, S; Strachota, P; Stradling, A R; Straessner, A; Strandberg, J; Strandberg, S; Strandlie, A; Strang, M; Strauss, E; Strauss, M; Strizenec, P; Ströhmer, R; Strom, D M; Strong, J A; Stroynowski, R; Strube, J; Stugu, B; Stumer, I; Stupak, J; Sturm, P; Styles, N A; Soh, D A; Su, D; Subramania, Hs; Succurro, A; Sugaya, Y; Sugimoto, T; Suhr, C; Suita, K; Suk, M; Sulin, V V; Sultansoy, S; Sumida, T; Sun, X; Sundermann, J E; Suruliz, K; Sushkov, S; Susinno, G; Sutton, M R; Suzuki, Y; Suzuki, Y; Svatos, M; Sviridov, Yu M; Swedish, S; Sykora, I; Sykora, T; Szeless, B; Sánchez, J; Ta, D; Tackmann, K; Taffard, A; Tafirout, R; Taiblum, N; Takahashi, Y; Takai, H; Takashima, R; Takeda, H; Takeshita, T; Takubo, Y; Talby, M; Talyshev, A; Tamsett, M C; Tanaka, J; Tanaka, R; Tanaka, S; Tanaka, S; Tanaka, Y; Tanasijczuk, A J; Tani, K; Tannoury, N; Tappern, G P; Tapprogge, S; Tardif, D; Tarem, S; Tarrade, F; Tartarelli, G F; Tas, P; Tasevsky, M; Tassi, E; Tatarkhanov, M; Tayalati, Y; Taylor, C; Taylor, F E; Taylor, G N; Taylor, W; Teinturier, M; Teixeira Dias Castanheira, M; Teixeira-Dias, P; Temming, K K; Ten Kate, H; Teng, P K; Terada, S; Terashi, K; Terron, J; Testa, M; Teuscher, R J; Thadome, J; Therhaag, J; Theveneaux-Pelzer, T; Thioye, M; Thoma, S; Thomas, J P; Thompson, E N; Thompson, P D; Thompson, P D; Thompson, A S; Thomson, E; Thomson, M; Thun, R P; Tian, F; Tibbetts, M J; Tic, T; Tikhomirov, V O; Tikhonov, Y A; Timoshenko, S; Tipton, P; Tique Aires Viegas, F J; Tisserant, S; Toczek, B; Todorov, T; Todorova-Nova, S; Toggerson, B; Tojo, J; Tokár, S; Tokunaga, K; Tokushuku, K; Tollefson, K; Tomoto, M; Tompkins, L; Toms, K; Tong, G; Tonoyan, A; Topfel, C; Topilin, N D; Torchiani, I; Torrence, E; Torres, H; Torró Pastor, E; Toth, J; Touchard, F; Tovey, D R; Trefzger, T; Tremblet, L; Tricoli, A; Trigger, I M; Trincaz-Duvoid, S; Trinh, T N; Tripiana, M F; Trischuk, W; Trivedi, A; Trocmé, B; Troncon, C; Trottier-McDonald, M; Trzebinski, M; Trzupek, A; Tsarouchas, C; Tseng, J C-L; Tsiakiris, M; Tsiareshka, P V; Tsionou, D; Tsipolitis, G; Tsiskaridze, V; Tskhadadze, E G; Tsukerman, I I; Tsulaia, V; Tsung, J-W; Tsuno, S; Tsybychev, D; Tua, A; Tudorache, A; Tudorache, V; Tuggle, J M; Turala, M; Turecek, D; Turk Cakir, I; Turlay, E; Turra, R; Tuts, P M; Tykhonov, A; Tylmad, M; Tyndel, M; Tzanakos, G; Uchida, K; Ueda, I; Ueno, R; Ugland, M; Uhlenbrock, M; Uhrmacher, M; Ukegawa, F; Unal, G; Underwood, D G; Undrus, A; Unel, G; Unno, Y; Urbaniec, D; Usai, G; Uslenghi, M; Vacavant, L; Vacek, V; Vachon, B; Vahsen, S; Valenta, J; Valente, P; Valentinetti, S; Valkar, S; Valladolid Gallego, E; Vallecorsa, S; Valls Ferrer, J A; van der Graaf, H; van der Kraaij, E; Van Der Leeuw, R; van der Poel, E; van der Ster, D; van Eldik, N; van Gemmeren, P; van Kesteren, Z; van Vulpen, I; Vanadia, M; Vandelli, W; Vandoni, G; Vaniachine, A; Vankov, P; Vannucci, F; Varela Rodriguez, F; Vari, R; Varnes, E W; Varouchas, D; Vartapetian, A; Varvell, K E; Vassilakopoulos, V I; Vazeille, F; Vegni, G; Veillet, J J; Vellidis, C; Veloso, F; Veness, R; Veneziano, S; Ventura, A; Ventura, D; Venturi, M; Venturi, N; Vercesi, V; Verducci, M; Verkerke, W; Vermeulen, J C; Vest, A; Vetterli, M C; Vichou, I; Vickey, T; Vickey Boeriu, O E; Viehhauser, G H A; Viel, S; Villa, M; Villaplana Perez, M; Vilucchi, E; Vincter, M G; Vinek, E; Vinogradov, V B; Virchaux, M; Virzi, J; Vitells, O; Viti, M; Vivarelli, I; Vives Vaque, F; Vlachos, S; Vladoiu, D; Vlasak, M; Vlasov, N; Vogel, A; Vokac, P; Volpi, G; Volpi, M; Volpini, G; von der Schmitt, H; von Loeben, J; von Radziewski, H; von Toerne, E; Vorobel, V; Vorobiev, A P; Vorwerk, V; Vos, M; Voss, R; Voss, T T; Vossebeld, J H; Vranjes, N; Vranjes Milosavljevic, M; Vrba, V; Vreeswijk, M; Vu Anh, T; Vuillermet, R; Vukotic, I; Wagner, W; Wagner, P; Wahlen, H; Wakabayashi, J; Walbersloh, J; Walch, S; Walder, J; Walker, R; Walkowiak, W; Wall, R; Waller, P; Wang, C; Wang, H; Wang, H; Wang, J; Wang, J; Wang, J C; Wang, R; Wang, S M; Warburton, A; Ward, C P; Warsinsky, M; Watkins, P M; Watson, A T; Watson, I J; Watson, M F; Watts, G; Watts, S; Waugh, A T; Waugh, B M; Weber, M; Weber, M S; Weber, P; Weidberg, A R; Weigell, P; Weingarten, J; Weiser, C; Wellenstein, H; Wells, P S; Wen, M; Wenaus, T; Wendler, S; Weng, Z; Wengler, T; Wenig, S; Wermes, N; Werner, M; Werner, P; Werth, M; Wessels, M; Weydert, C; Whalen, K; Wheeler-Ellis, S J; Whitaker, S P; White, A; White, M J; Whitehead, S R; Whiteson, D; Whittington, D; Wicek, F; Wicke, D; Wickens, F J; Wiedenmann, W; Wielers, M; Wienemann, P; Wiglesworth, C; Wiik-Fuchs, L A M; Wijeratne, P A; Wildauer, A; Wildt, M A; Wilhelm, I; Wilkens, H G; Will, J Z; Williams, E; Williams, H H; Willis, W; Willocq, S; Wilson, J A; Wilson, M G; Wilson, A; Wingerter-Seez, I; Winkelmann, S; Winklmeier, F; Wittgen, M; Wolter, M W; Wolters, H; Wong, W C; Wooden, G; Wosiek, B K; Wotschack, J; Woudstra, M J; Wozniak, K W; Wraight, K; Wright, C; Wright, M; Wrona, B; Wu, S L; Wu, X; Wu, Y; Wulf, E; Wunstorf, R; Wynne, B M; Xella, S; Xiao, M; Xie, S; Xie, Y; Xu, C; Xu, D; Xu, G; Yabsley, B; Yacoob, S; Yamada, M; Yamaguchi, H; Yamamoto, A; Yamamoto, K; Yamamoto, S; Yamamura, T; Yamanaka, T; Yamaoka, J; Yamazaki, T; Yamazaki, Y; Yan, Z; Yang, H; Yang, U K; Yang, Y; Yang, Y; Yang, Z; Yanush, S; Yao, Y; Yasu, Y; Ybeles Smit, G V; Ye, J; Ye, S; Yilmaz, M; Yoosoofmiya, R; Yorita, K; Yoshida, R; Young, C; Youssef, S; Yu, D; Yu, J; Yu, J; Yuan, L; Yurkewicz, A; Zabinski, B; Zaets, V G; Zaidan, R; Zaitsev, A M; Zajacova, Z; Zanello, L; Zarzhitsky, P; Zaytsev, A; Zeitnitz, C; Zeller, M; Zeman, M; Zemla, A; Zendler, C; Zenin, O; Zeniš, T; Zinonos, Z; Zenz, S; Zerwas, D; Zevi Della Porta, G; Zhan, Z; Zhang, D; Zhang, H; Zhang, J; Zhang, X; Zhang, Z; Zhao, L; Zhao, T; Zhao, Z; Zhemchugov, A; Zheng, S; Zhong, J; Zhou, B; Zhou, N; Zhou, Y; Zhu, C G; Zhu, H; Zhu, J; Zhu, Y; Zhuang, X; Zhuravlov, V; Zieminska, D; Zimmermann, R; Zimmermann, S; Zimmermann, S; Ziolkowski, M; Zitoun, R; Zivković, L; Zmouchko, V V; Zobernig, G; Zoccoli, A; Zolnierowski, Y; Zsenei, A; Zur Nedden, M; Zutshi, V; Zwalinski, L

2012-06-22

A search for the decay of a light Higgs boson (120-140 GeV) to a pair of weakly interacting, long-lived particles in 1.94 fb(-1) of proton-proton collisions at sqrt[s] = 7 TeV recorded in 2011 by the ATLAS detector is presented. The search strategy requires that both long-lived particles decay inside the muon spectrometer. No excess of events is observed above the expected background and limits on the Higgs boson production times branching ratio to weakly interacting, long-lived particles are derived as a function of the particle proper decay length.

A quasichemical approach for protein-cluster free energies in dilute solution

NASA Astrophysics Data System (ADS)

Young, Teresa M.; Roberts, Christopher J.

2007-10-01

Reversible formation of protein oligomers or small clusters is a key step in processes such as protein polymerization, fibril formation, and protein phase separation from dilute solution. A straightforward, statistical mechanical approach to accurately calculate cluster free energies in solution is presented using a cell-based, quasichemical (QC) approximation for the partition function of proteins in an implicit solvent. The inputs to the model are the protein potential of mean force (PMF) and the corresponding subcell degeneracies up to relatively low particle densities. The approach is tested using simple two and three dimensional lattice models in which proteins interact with either isotropic or anisotropic nearest-neighbor attractions. Comparison with direct Monte Carlo simulation shows that cluster probabilities and free energies of oligomer formation (ΔGi0) are quantitatively predicted by the QC approach for protein volume fractions ˜10-2 (weight/volume concentration ˜10gl-1) and below. For small clusters, ΔGi0 depends weakly on the strength of short-ranged attractive interactions for most experimentally relevant values of the normalized osmotic second virial coefficient (b2*). For larger clusters (i ≫2), there is a small but non-negligible b2* dependence. The results suggest that nonspecific, hydrophobic attractions may not significantly stabilize prenuclei in processes such as non-native aggregation. Biased Monte Carlo methods are shown to accurately provide subcell degeneracies that are intractable to obtain analytically or by direct enumeration, and so offer a means to generalize the approach to mixtures and proteins with more complex PMFs.

Precision measurement of the weak charge of the proton

DOE Office of Scientific and Technical Information (OSTI.GOV)

None

The weak charge of the proton Q_W^p sets the strength of the proton's interaction with other particles via the neutral electroweak force, just as the electric charge sets the strength of the purely electromagnetic (EM) interaction. The standard model (SM) of electroweak particle physics predicts that Q_W^p is suppressed, due to a near-cancellation between the weak charges of the proton's three constituent quarks. This small SM "background" makes Q_W^p especially sensitive to potential new parity-violating (PV) interactions beyond those of the SM. Parity symmetry (invariance under spatial inversion (x,y,z) --> (-x,-y,-z)) is violated in the weak interaction, but not inmore » the other three forces of nature. Therefore PV provides a unique tool to isolate the weak interaction in order to observe the proton's weak charge1. Earlier experiments2 have measured parity-violating electron-scattering (PVES) asymmetries in kinematic regimes that are more sensitive to the proton's extended structure than to its weak charge. Here we report the most precise measurement of the PV electron-proton scattering asymmetry (A_ep = -226.5 ± 9.3 ppb, 1 ppb=10-9), in a kinematic regime where the theoretical uncertainties involved in determining Q_W^p are small. We use this measurement of A_ep to determine Q_W^p, obtaining consistent results using several methods which vary the degree of experimental and theoretical input. Our result for Q_W^p (0.0719 ± 0.0045) is in excellent agreement with the SM3. We employ energy-scale-dependent quantum corrections to relate Q_W^p to the electroweak mixing angle sin^2 theta_W, a fundamental SM parameter with which we are also in good agreement. In addition, we use our precise Q_W^p result to set TeV-scale constraints on potential new semi-leptonic PV physics not described by the SM.« less

Scaling of elongation transition thickness during thin-film growth on weakly interacting substrates

NASA Astrophysics Data System (ADS)

Lü, B.; Souqui, L.; Elofsson, V.; Sarakinos, K.

2017-08-01

The elongation transition thickness ( θElong) is a central concept in the theoretical description of thin-film growth dynamics on weakly interacting substrates via scaling relations of θElong with respect to rates of key atomistic film-forming processes. To date, these scaling laws have only been confirmed quantitatively by simulations, while experimental proof has been left ambiguous as it has not been possible to measure θElong. Here, we present a method for determining experimentally θElong for Ag films growing on amorphous SiO2: an archetypical weakly interacting film/substrate system. Our results confirm the theoretically predicted θElong scaling behavior, which then allow us to calculate the rates of adatom diffusion and island coalescence completion, in good agreement with the literature. The methodology presented herein casts the foundation for studying growth dynamics and cataloging atomistic-process rates for a wide range of weakly interacting film/substrate systems. This may provide insights into directed growth of metal films with a well-controlled morphology and interfacial structure on 2D crystals—including graphene and MoS2—for catalytic and nanoelectronic applications.

[A new method of distinguishing weak and overlapping signals of proton magnetic resonance spectroscopy].

PubMed

Jiang, Gang; Quan, Hong; Wang, Cheng; Gong, Qiyong

2012-12-01

In this paper, a new method of combining translation invariant (TI) and wavelet-threshold (WT) algorithm to distinguish weak and overlapping signals of proton magnetic resonance spectroscopy (1H-MRS) is presented. First, the 1H-MRS spectrum signal is transformed into wavelet domain and then its wavelet coefficients are obtained. Then, the TI method and WT method are applied to detect the weak signals overlapped by the strong ones. Through the analysis of the simulation data, we can see that both frequency and amplitude information of small-signals can be obtained accurately by the algorithm, and through the combination with the method of signal fitting, quantitative calculation of the area under weak signals peaks can be realized.

Carbon Dioxide Line Shapes for Atmospheric Remote Sensing

NASA Astrophysics Data System (ADS)

Predoi-Cross, Adriana; Ibrahim, Amr; Wismath, Alice; Teillet, Philippe M.; Devi, V. Malathy; Benner, D. Chris; Billinghurst, Brant

2010-02-01

We present a detailed spectroscopic study of carbon dioxide in support of atmospheric remote sensing. We have studied two weak absorption bands near the strong ν2 band that is used to derive atmospheric temperature profiles. We have analyzed our laboratory spectra recorded with the synchrotron and globar sources with spectral line profiles that reproduce the absorption features with high accuracy. The Q-branch transitions exhibited asymmetric line shape due to weak line-mixing. For these weak transitions, we have retrieved accurate experimental line strengths, self- and air-broadening, self- and air-induced shift coefficients and weak line mixing parameters. The experimental precision is sufficient to reveal inherent variations of the width and shift coefficients according to transition quantum numbers.

Social networks, personal values, and creativity: evidence for curvilinear and interaction effects.

PubMed

Zhou, Jing; Shin, Shung Jae; Brass, Daniel J; Choi, Jaepil; Zhang, Zhi-Xue

2009-11-01

Taking an interactional perspective on creativity, the authors examined the influence of social networks and conformity value on employees' creativity. They theorized and found a curvilinear relationship between number of weak ties and creativity such that employees exhibited greater creativity when their number of weak ties was at intermediate levels rather than at lower or higher levels. In addition, employees' conformity value moderated the curvilinear relationship between number of weak ties and creativity such that employees exhibited greater creativity at intermediate levels of number of weak ties when conformity was low than when it was high. A proper match between personal values and network ties is critical for understanding creativity.

Nuclei and Fundamental Symmetries

NASA Astrophysics Data System (ADS)

Haxton, Wick

2016-09-01

Nuclei provide marvelous laboratories for testing fundamental interactions, often enhancing weak processes through accidental degeneracies among states, and providing selection rules that can be exploited to isolate selected interactions. I will give an overview of current work, including the use of parity violation to probe unknown aspects of the hadronic weak interaction; nuclear electric dipole moment searches that may shed light on new sources of CP violation; and tests of lepton number violation made possible by the fact that many nuclei can only decay by rare second-order weak interactions. I will point to opportunities in both theory and experiment to advance the field. Based upon work supported in part by the US Department of Energy, Office of Science, Office of Nuclear Physics and SciDAC under Awards DE-SC00046548 (Berkeley), DE-AC02-05CH11231 (LBNL), and KB0301052 (LBNL).

Detection of light-matter interaction in the weak-coupling regime by quantum light

NASA Astrophysics Data System (ADS)

Bin, Qian; Lü, Xin-You; Zheng, Li-Li; Bin, Shang-Wu; Wu, Ying

2018-04-01

"Mollow spectroscopy" is a photon statistics spectroscopy, obtained by scanning the quantum light scattered from a source system. Here, we apply this technique to detect the weak light-matter interaction between the cavity and atom (or a mechanical oscillator) when the strong system dissipation is included. We find that the weak interaction can be measured with high accuracy when exciting the target cavity by quantum light scattered from the source halfway between the central peak and each side peak. This originally comes from the strong correlation of the injected quantum photons. In principle, our proposal can be applied into the normal cavity quantum electrodynamics system described by the Jaynes-Cummings model and an optomechanical system. Furthermore, it is state of the art for experiment even when the interaction strength is reduced to a very small value.

Evolutionary Diversification of Prey and Predator Species Facilitated by Asymmetric Interactions

PubMed Central

Zu, Jian; Wang, Jinliang; Huang, Gang

2016-01-01

We investigate the influence of asymmetric interactions on coevolutionary dynamics of a predator-prey system by using the theory of adaptive dynamics. We assume that the defense ability of prey and the attack ability of predators all can adaptively evolve, either caused by phenotypic plasticity or by behavioral choice, but there are certain costs in terms of their growth rate or death rate. The coevolutionary model is constructed from a deterministic approximation of random mutation-selection process. To sum up, if prey’s trade-off curve is globally weakly concave, then five outcomes of coevolution are demonstrated, which depend on the intensity and shape of asymmetric predator-prey interactions and predator’s trade-off shape. Firstly, we find that if there is a weakly decelerating cost and a weakly accelerating benefit for predator species, then evolutionary branching in the predator species may occur, but after branching further coevolution may lead to extinction of the predator species with a larger trait value. However, if there is a weakly accelerating cost and a weakly accelerating benefit for predator species, then evolutionary branching in the predator species is also possible and after branching the dimorphic predator can evolutionarily stably coexist with a monomorphic prey species. Secondly, if the asymmetric interactions become a little strong, then prey and predators will evolve to an evolutionarily stable equilibrium, at which they can stably coexist on a long-term timescale of evolution. Thirdly, if there is a weakly accelerating cost and a relatively strongly accelerating benefit for prey species, then evolutionary branching in the prey species is possible and the finally coevolutionary outcome contains a dimorphic prey and a monomorphic predator species. Fourthly, if the asymmetric interactions become more stronger, then predator-prey coevolution may lead to cycles in both traits and equilibrium population densities. The Red Queen dynamic is a possible outcome under asymmetric predator-prey interactions. PMID:27685540

Evolutionary Diversification of Prey and Predator Species Facilitated by Asymmetric Interactions.

PubMed

Zu, Jian; Wang, Jinliang; Huang, Gang

We investigate the influence of asymmetric interactions on coevolutionary dynamics of a predator-prey system by using the theory of adaptive dynamics. We assume that the defense ability of prey and the attack ability of predators all can adaptively evolve, either caused by phenotypic plasticity or by behavioral choice, but there are certain costs in terms of their growth rate or death rate. The coevolutionary model is constructed from a deterministic approximation of random mutation-selection process. To sum up, if prey's trade-off curve is globally weakly concave, then five outcomes of coevolution are demonstrated, which depend on the intensity and shape of asymmetric predator-prey interactions and predator's trade-off shape. Firstly, we find that if there is a weakly decelerating cost and a weakly accelerating benefit for predator species, then evolutionary branching in the predator species may occur, but after branching further coevolution may lead to extinction of the predator species with a larger trait value. However, if there is a weakly accelerating cost and a weakly accelerating benefit for predator species, then evolutionary branching in the predator species is also possible and after branching the dimorphic predator can evolutionarily stably coexist with a monomorphic prey species. Secondly, if the asymmetric interactions become a little strong, then prey and predators will evolve to an evolutionarily stable equilibrium, at which they can stably coexist on a long-term timescale of evolution. Thirdly, if there is a weakly accelerating cost and a relatively strongly accelerating benefit for prey species, then evolutionary branching in the prey species is possible and the finally coevolutionary outcome contains a dimorphic prey and a monomorphic predator species. Fourthly, if the asymmetric interactions become more stronger, then predator-prey coevolution may lead to cycles in both traits and equilibrium population densities. The Red Queen dynamic is a possible outcome under asymmetric predator-prey interactions.

Strong FANCA/FANCG but weak FANCA/FANCC interaction in the yeast 2-hybrid system.

PubMed

Reuter, T; Herterich, S; Bernhard, O; Hoehn, H; Gross, H J

2000-01-15

Three of at least 8 Fanconi anemia (FA) genes have been cloned (FANCA, FANCC, FANCG), but their functions remain unknown. Using the yeast 2-hybrid system and full-length cDNA, the authors found a strong interaction between FANCA and FANCG proteins. They also obtained evidence for a weak interaction between FANCA and FANCC. Neither FANCA nor FANCC was found to interact with itself. These results support the notion of a functional association between the FA gene products. (Blood. 2000;95:719-720)

Sun glitter imaging of submarine sand waves on the Taiwan Banks: Determination of the relaxation rate of short waves

NASA Astrophysics Data System (ADS)

Shao, Hao; Li, Yan; Li, Li

2011-06-01

Above sand waves on the seafloor, surface short waves, which are responsible for the radiance distribution in remote sensing imagery, are modulated gradually by the submarine topography. The relaxation rate μr characterizes the rate at which the short waves reach their saturation range after being disturbed. It is a key parameter in the weak hydrodynamic interaction theory and is also a most important parameter in the imaging mechanism used for mapping submarine bottom topography. In this study, a robust expression containing intensity and phase (advection effect) modulations of the perturbed action spectrum of short waves was deduced, by using the first-order weak hydrodynamic interaction theory. On the basis of the phase modulation, a method was developed to determine the relaxation rate in the Sun glitter imaging mechanism. The relaxation rates were estimated using in situ data measured on a cruise over the sand waves of the Taiwan Banks, a sea area between the East China Sea and the South China Sea, on 28-29 August 2006. Results showed that, under a wind speed of 5.0 m s-1, the relaxation rate of short waves was about 0.055 s-1 in response to current variations and about 0.025 s-1 equivalently in response to sea bottom topographic variations. The former value could be applied to interpret the amplitude of submarine topography by using satellite imagery, while the latter one (equivalent relaxation rate μ'r) could help to more accurately calibrate the spatial position of the retrieved sea bottom topography.

Powder diffraction and crystal structure prediction identify four new coumarin polymorphs

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shtukenberg, Alexander G.; Zhu, Qiang; Carter, Damien J.

Coumarin, a simple, commodity chemical isolated from beans in 1820, has, to date, only yielded one solid state structure. Here, we report a rich polymorphism of coumarin grown from the melt. Four new metastable forms were identified and their crystal structures were solved using a combination of computational crystal structure prediction algorithms and X-ray powder diffraction. With five crystal structures, coumarin has become one of the few rigid molecules showing extensive polymorphism at ambient conditions. We demonstrate the crucial role of advanced electronic structure calculations including many-body dispersion effects for accurate ranking of the stability of coumarin polymorphs and themore » need to account for anharmonic vibrational contributions to their free energy. As such, coumarin is a model system for studying weak intermolecular interactions, crystallization mechanisms, and kinetic effects.« less

Powder diffraction and crystal structure prediction identify four new coumarin polymorphs

DOE PAGES

Shtukenberg, Alexander G.; Zhu, Qiang; Carter, Damien J.; ...

2017-05-15

Coumarin, a simple, commodity chemical isolated from beans in 1820, has, to date, only yielded one solid state structure. Here, we report a rich polymorphism of coumarin grown from the melt. Four new metastable forms were identified and their crystal structures were solved using a combination of computational crystal structure prediction algorithms and X-ray powder diffraction. With five crystal structures, coumarin has become one of the few rigid molecules showing extensive polymorphism at ambient conditions. We demonstrate the crucial role of advanced electronic structure calculations including many-body dispersion effects for accurate ranking of the stability of coumarin polymorphs and themore » need to account for anharmonic vibrational contributions to their free energy. As such, coumarin is a model system for studying weak intermolecular interactions, crystallization mechanisms, and kinetic effects.« less

Measurement of the Parity-Violating Neutron Spin Rotation in 4He

PubMed Central

Bass, C. D.; Dawkins, J. M.; Luo, D.; Micherdzinska, A.; Sarsour, M.; Snow, W. M.; Mumm, H. P.; Nico, J. S.; Huffman, P. R.; Markoff, D. M.; Heckel, B. R.; Swanson, H. E.

2005-01-01

In the meson exchange model of weak nucleon-nucleon (NN) interactions, the exchange of virtual mesons between the nucleons is parameterized by a set of weak meson exchange amplitudes. The strengths of these amplitudes from theoretical calculations are not well known, and experimental measurements of parity-violating (PV) observables in different nuclear systems have not constrained their values. Transversely polarized cold neutrons traveling through liquid helium experience a PV spin rotation due to the weak interaction with an angle proportional to a linear combination of these weak meson exchange amplitudes. A measurement of the PV neutron spin rotation in helium (φPV (n,α)) would provide information about the relative strengths of the weak meson exchange amplitudes, and with the longitudinal analyzing power measurement in the p + α system, allow the first comparison between isospin mirror systems in weak NN interaction. An earlier experiment performed at NIST obtained a result consistent with zero: φPV (n,α) = (8.0 ±14(stat) ±2.2(syst)) ×10−7 rad / m[1]. We describe a modified apparatus using a superfluid helium target to increase statistics and reduce systematic effects in an effort to reach a sensitivity goal of 10−7 rad/m. PMID:27308122

Weakly Hydrated Surfaces and the Binding Interactions of Small Biological Solutes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brady, J. W.; Tavagnacco, L.; Ehrlich, L.

2012-04-01

Extended planar hydrophobic surfaces, such as are found in the side chains of the amino acids histidine, phenylalanine, tyrosine, and tryptophan, exhibit an affinity for the weakly hydrated faces of glucopyranose. In addition, molecular species such as these, including indole, caffeine, and imidazole, exhibit a weak tendency to pair together by hydrophobic stacking in aqueous solution. These interactions can be partially understood in terms of recent models for the hydration of extended hydrophobic faces and should provide insight into the architecture of sugar-binding sites in proteins.

Weakly hydrated surfaces and the binding interactions of small biological solutes.

PubMed

Brady, John W; Tavagnacco, Letizia; Ehrlich, Laurent; Chen, Mo; Schnupf, Udo; Himmel, Michael E; Saboungi, Marie-Louise; Cesàro, Attilio

2012-04-01

Extended planar hydrophobic surfaces, such as are found in the side chains of the amino acids histidine, phenylalanine, tyrosine, and tryptophan, exhibit an affinity for the weakly hydrated faces of glucopyranose. In addition, molecular species such as these, including indole, caffeine, and imidazole, exhibit a weak tendency to pair together by hydrophobic stacking in aqueous solution. These interactions can be partially understood in terms of recent models for the hydration of extended hydrophobic faces and should provide insight into the architecture of sugar-binding sites in proteins.

High sensitivity CRDS of CO2 in the 1.74 μm transparency window. A validation test for the spectroscopic databases

NASA Astrophysics Data System (ADS)

Čermák, P.; Karlovets, E. V.; Mondelain, D.; Kassi, S.; Perevalov, V. I.; Campargue, A.

2018-03-01

The very weak absorption spectrum of natural CO2 near 1.74 μm (5702-5879 cm-1) is studied at high sensitivity. The investigated region corresponds to a transparency window of very weak opacity which is of particular interest for Venus. Very weak lines with intensity value as low as 10-30 cm/molecule at 296 K are detected by Cavity Ring Down Spectroscopy. On the basis of the predictions of effective Hamiltonian models, 1135 lines of six carbon dioxide isotopologues - 12C16O2, 13C16O2, 16O12C18O, 16O12C17O, 16O13C18O and 16O13C17O - were rovibrationnally assigned to 26 bands. The accurate spectroscopic parameters of 16 bands are determined from standard band-by-band analysis (typical rms deviations of the line positions are 8 × 10-4 cm-1). These newly observed bands include perturbed bands, weak hot bands and bands of minor isotopologues (in particular 16O12C18O in natural abundance) and provide critical validation tests for the most recent spectroscopic databases. The comparison to the Carbon Dioxide Spectroscopic Databank (CDSD), HITRAN2016 database and recent ab initio line lists is presented. Deficiencies are evidenced for some weak perpendicular bands of the HITRAN2016 list and identified as due to inaccurate CDSD intensities which were preferred to ab initio intensities. While Ames and UCL ab initio intensities are believed to be accurate within a few % for the strong unperturbed bands, the reported measurements allow testing important (>50%) differences between ab initio values of some weak perturbed bands.

Fragment screening by SPR and advanced application to GPCRs.

PubMed

Shepherd, Claire A; Hopkins, Andrew L; Navratilova, Iva

2014-01-01

Surface plasmon resonance (SPR) is one of the primary biophysical methods for the screening of low molecular weight 'fragment' libraries, due to its low protein consumption and 'label-free' methodology. SPR biosensor interaction analysis is employed to both screen and confirm the binding of compounds in fragment screening experiments, as it provides accurate information on the affinity and kinetics of molecular interactions. The most advanced application of the use of SPR for fragment screening is against membrane protein drug targets, such G-protein coupled receptors (GPCRs). Biophysical GPCR assays using SPR have been validated with pharmacological measurements approximate to cell-based methods, yet provide the advantage of biophysical methods in their ability to measure the weak affinities of low molecular weight fragments. A number of SPR fragment screens against GPCRs have now been disclosed in the literature. SPR fragment screening is proving versatile to screen both thermostabilised GPCRs and solubilised wild type receptors. In this chapter, we discuss the state-of-the-art in GPCR fragment screening by SPR and the technical considerations in performing such experiments. Copyright © 2014 The Authors. Published by Elsevier Ltd.. All rights reserved.

ENDOR-Induced EPR of Disordered Systems: Application to X-Irradiated Alanine.

PubMed

Kusakovskij, Jevgenij; Maes, Kwinten; Callens, Freddy; Vrielinck, Henk

2018-02-15

The electron paramagnetic resonance (EPR) spectra of radiation-induced radicals in organic solids are generally composed of multiple components that largely overlap due to their similar weak g anisotropy and a large number of hyperfine (HF) interactions. Such properties make these systems difficult to study using standard cw EPR spectroscopy even in single crystals. Electron-nuclear double-resonance (ENDOR) spectroscopy is a powerful and widely used complementary technique. In particular, ENDOR-induced EPR (EIE) experiments are useful for separating the overlapping contributions. In the present work, these techniques were employed to study the EPR spectrum of stable radicals in X-irradiated alanine, which is widely used in dosimetric applications. The principal values of all major proton HF interactions of the dominant radicals were determined by analyzing the magnetic field dependence of the ENDOR spectrum at 50 K, where the rotation of methyl groups is frozen. Accurate simulations of the EPR spectrum were performed after the major components were separated using an EIE analysis. As a result, new evidence in favor of the model of the second dominant radical was obtained.

3D finite element models of shoulder muscles for computing lines of actions and moment arms.

PubMed

Webb, Joshua D; Blemker, Silvia S; Delp, Scott L

2014-01-01

Accurate representation of musculoskeletal geometry is needed to characterise the function of shoulder muscles. Previous models of shoulder muscles have represented muscle geometry as a collection of line segments, making it difficult to account for the large attachment areas, muscle-muscle interactions and complex muscle fibre trajectories typical of shoulder muscles. To better represent shoulder muscle geometry, we developed 3D finite element models of the deltoid and rotator cuff muscles and used the models to examine muscle function. Muscle fibre paths within the muscles were approximated, and moment arms were calculated for two motions: thoracohumeral abduction and internal/external rotation. We found that muscle fibre moment arms varied substantially across each muscle. For example, supraspinatus is considered a weak external rotator, but the 3D model of supraspinatus showed that the anterior fibres provide substantial internal rotation while the posterior fibres act as external rotators. Including the effects of large attachment regions and 3D mechanical interactions of muscle fibres constrains muscle motion, generates more realistic muscle paths and allows deeper analysis of shoulder muscle function.

3D Finite Element Models of Shoulder Muscles for Computing Lines of Actions and Moment Arms

PubMed Central

Webb, Joshua D.; Blemker, Silvia S.; Delp, Scott L.

2014-01-01

Accurate representation of musculoskeletal geometry is needed to characterize the function of shoulder muscles. Previous models of shoulder muscles have represented muscle geometry as a collection of line segments, making it difficult to account the large attachment areas, muscle-muscle interactions, and complex muscle fiber trajectories typical of shoulder muscles. To better represent shoulder muscle geometry we developed three-dimensional finite element models of the deltoid and rotator cuff muscles and used the models to examine muscle function. Muscle fiber paths within the muscles were approximated, and moment arms were calculated for two motions: thoracohumeral abduction and internal/external rotation. We found that muscle fiber moment arms varied substantially across each muscle. For example, supraspinatus is considered a weak external rotator, but the three-dimensional model of supraspinatus showed that the anterior fibers provide substantial internal rotation while the posterior fibers act as external rotators. Including the effects of large attachment regions and three-dimensional mechanical interactions of muscle fibers constrains muscle motion, generates more realistic muscle paths, and allows deeper analysis of shoulder muscle function. PMID:22994141

Application of headspace analysis to the study of sorption of hydrophobic organic chemicals to α-Al2O3

USGS Publications Warehouse

Pelinger, Judith A.; Eisenreich, Steven J.; Capel, Paul D.

1993-01-01

The sorption of hydrophobic organic chemicals (HOCs) to ??-Al2O3 was investigated with a headspace analysis method. The semiautomated headspace analyzer gave rapid, precise, and accurate results for a homologous series alkylbenzenes even at low percentages of solute mass sorbed (3-50%). Sorption experiments carried out with benzene alone indicated weak interactions with well-characterized aluminum oxide, and a solids concentration effect was observed. When the sorption coefficients for benzene alone obtained by headspace analysis were extrapolated up to the solids concentrations typically used in batch sorption experiments, the measured sorption coefficients agreed with reported sorption coefficients for HOCs and sediments of low fractional organic carbon content. Sorbed concentrations increased exponentially with aqueous concentration in isotherms with mixtures of alkylbenzenes, indicating solute-solute interactions at the mineral surface. Sorption was, however, greater than predicted for partitioning of a solute between its pure liquid phase and water, indicating additional influences of the surface and/or the structured liquid near the mineral surface. ?? 1993 American Chemical Society.

Spin-polarized density-matrix functional theory of the single-impurity Anderson model

NASA Astrophysics Data System (ADS)

Töws, W.; Pastor, G. M.

2012-12-01

Lattice density functional theory (LDFT) is used to investigate spin excitations in the single-impurity Anderson model. In this method, the single-particle density matrix γijσ with respect to the lattice sites replaces the wave function as the basic variable of the many-body problem. A recently developed two-level approximation (TLA) to the interaction-energy functional W[γ] is extended to systems having spin-polarized density distributions and bond orders. This allows us to investigate the effect of external magnetic fields and, in particular, the important singlet-triplet gap ΔE, which determines the Kondo temperature. Applications to finite Anderson rings and square lattices show that the gap ΔE as well as other ground-state and excited-state properties are very accurately reproduced. One concludes that the spin-polarized TLA is reliable in all interaction regimes, from weak to strong correlations, for different hybridization strengths and for all considered impurity valence states. In this way the efficiency of LDFT to account for challenging electron-correlation effects is demonstrated.

Individual versus group decision making: Jurors' reliance on central and peripheral information to evaluate expert testimony.

PubMed

Salerno, Jessica M; Bottoms, Bette L; Peter-Hagene, Liana C

2017-01-01

To investigate dual-process persuasion theories in the context of group decision making, we studied low and high need-for-cognition (NFC) participants within a mock trial study. Participants considered plaintiff and defense expert scientific testimony that varied in argument strength. All participants heard a cross-examination of the experts focusing on peripheral information (e.g., credentials) about the expert, but half were randomly assigned to also hear central information highlighting flaws in the expert's message (e.g., quality of the research presented by the expert). Participants rendered pre- and post-group-deliberation verdicts, which were considered "scientifically accurate" if the verdicts reflected the strong (versus weak) expert message, and "scientifically inaccurate" if they reflected the weak (versus strong) expert message. For individual participants, we replicated studies testing classic persuasion theories: Factors promoting reliance on central information (i.e., central cross-examination, high NFC) improved verdict accuracy because they sensitized individual participants to the quality discrepancy between the experts' messages. Interestingly, however, at the group level, the more that scientifically accurate mock jurors discussed peripheral (versus central) information about the experts, the more likely their group was to reach the scientifically accurate verdict. When participants were arguing for the scientifically accurate verdict consistent with the strong expert message, peripheral comments increased their persuasiveness, which made the group more likely to reach the more scientifically accurate verdict.

Weak Higher-Order Interactions in Macroscopic Functional Networks of the Resting Brain.

PubMed

Huang, Xuhui; Xu, Kaibin; Chu, Congying; Jiang, Tianzi; Yu, Shan

2017-10-25

Interactions among different brain regions are usually examined through functional connectivity (FC) analysis, which is exclusively based on measuring pairwise correlations in activities. However, interactions beyond the pairwise level, that is, higher-order interactions (HOIs), are vital in understanding the behavior of many complex systems. So far, whether HOIs exist among brain regions and how they can affect the brain's activities remains largely elusive. To address these issues, here, we analyzed blood oxygenation level-dependent (BOLD) signals recorded from six typical macroscopic functional networks of the brain in 100 human subjects (46 males and 54 females) during the resting state. Through examining the binarized BOLD signals, we found that HOIs within and across individual networks were both very weak regardless of the network size, topology, degree of spatial proximity, spatial scales, and whether the global signal was regressed. To investigate the potential mechanisms underlying the weak HOIs, we analyzed the dynamics of a network model and also found that HOIs were generally weak within a wide range of key parameters provided that the overall dynamic feature of the model was similar to the empirical data and it was operating close to a linear fluctuation regime. Our results suggest that weak HOI may be a general property of brain's macroscopic functional networks, which implies the dominance of pairwise interactions in shaping brain activities at such a scale and warrants the validity of widely used pairwise-based FC approaches. SIGNIFICANCE STATEMENT To explain how activities of different brain areas are coordinated through interactions is essential to revealing the mechanisms underlying various brain functions. Traditionally, such an interaction structure is commonly studied using pairwise-based functional network analyses. It is unclear whether the interactions beyond the pairwise level (higher-order interactions or HOIs) play any role in this process. Here, we show that HOIs are generally weak in macroscopic brain networks. We also suggest a possible dynamical mechanism that may underlie this phenomenon. These results provide plausible explanation for the effectiveness of widely used pairwise-based approaches in analyzing brain networks. More importantly, it reveals a previously unknown, simple organization of the brain's macroscopic functional systems. Copyright © 2017 the authors 0270-6474/17/3710481-17$15.00/0.

Steady state conductance in a double quantum dot array: the nonequilibrium equation-of-motion Green function approach.

PubMed

Levy, Tal J; Rabani, Eran

2013-04-28

We study steady state transport through a double quantum dot array using the equation-of-motion approach to the nonequilibrium Green functions formalism. This popular technique relies on uncontrolled approximations to obtain a closure for a hierarchy of equations; however, its accuracy is questioned. We focus on 4 different closures, 2 of which were previously proposed in the context of the single quantum dot system (Anderson impurity model) and were extended to the double quantum dot array, and develop 2 new closures. Results for the differential conductance are compared to those attained by a master equation approach known to be accurate for weak system-leads couplings and high temperatures. While all 4 closures provide an accurate description of the Coulomb blockade and other transport properties in the single quantum dot case, they differ in the case of the double quantum dot array, where only one of the developed closures provides satisfactory results. This is rationalized by comparing the poles of the Green functions to the exact many-particle energy differences for the isolate system. Our analysis provides means to extend the equation-of-motion technique to more elaborate models of large bridge systems with strong electronic interactions.

Skeletal assessment with finite element analysis: relevance, pitfalls and interpretation.

PubMed

Campbell, Graeme Michael; Glüer, Claus-C

2017-07-01

Finite element models simulate the mechanical response of bone under load, enabling noninvasive assessment of strength. Models generated from quantitative computed tomography (QCT) incorporate the geometry and spatial distribution of bone mineral density (BMD) to simulate physiological and traumatic loads as well as orthopaedic implant behaviour. The present review discusses the current strengths and weakness of finite element models for application to skeletal biomechanics. In cadaver studies, finite element models provide better estimations of strength compared to BMD. Data from clinical studies are encouraging; however, the superiority of finite element models over BMD measures for fracture prediction has not been shown conclusively, and may be sex and site dependent. Therapeutic effects on bone strength are larger than for BMD; however, model validation has only been performed on untreated bone. High-resolution modalities and novel image processing methods may enhance the structural representation and predictive ability. Despite extensive use of finite element models to study orthopaedic implant stability, accurate simulation of the bone-implant interface and fracture progression remains a significant challenge. Skeletal finite element models provide noninvasive assessments of strength and implant stability. Improved structural representation and implant surface interaction may enable more accurate models of fragility in the future.

Study and selection of in vivo protein interactions by coupling bimolecular fluorescence complementation and flow cytometry.

PubMed

Morell, Montse; Espargaro, Alba; Aviles, Francesc Xavier; Ventura, Salvador

2008-01-01

We present a high-throughput approach to study weak protein-protein interactions by coupling bimolecular fluorescent complementation (BiFC) to flow cytometry (FC). In BiFC, the interaction partners (bait and prey) are fused to two rationally designed fragments of a fluorescent protein, which recovers its function upon the binding of the interacting proteins. For weak protein-protein interactions, the detected fluorescence is proportional to the interaction strength, thereby allowing in vivo discrimination between closely related binders with different affinity for the bait protein. FC provides a method for high-speed multiparametric data acquisition and analysis; the assay is simple, thousands of cells can be analyzed in seconds and, if required, selected using fluorescence-activated cell sorting (FACS). The combination of both methods (BiFC-FC) provides a technically straightforward, fast and highly sensitive method to validate weak protein interactions and to screen and identify optimal ligands in biologically synthesized libraries. Once plasmids encoding the protein fusions have been obtained, the evaluation of a specific interaction, the generation of a library and selection of active partners using BiFC-FC can be accomplished in 5 weeks.

Light weakly interacting massive particles

NASA Astrophysics Data System (ADS)

Gelmini, Graciela B.

2017-08-01

Light weakly interacting massive particles (WIMPs) are dark matter particle candidates with weak scale interaction with the known particles, and mass in the GeV to tens of GeV range. Hints of light WIMPs have appeared in several dark matter searches in the last decade. The unprecedented possible coincidence into tantalizingly close regions of mass and cross section of four separate direct detection experimental hints and a potential indirect detection signal in gamma rays from the galactic center, aroused considerable interest in our field. Even if these hints did not so far result in a discovery, they have had a significant impact in our field. Here we review the evidence for and against light WIMPs as dark matter candidates and discuss future relevant experiments and observations.

Highly anisotropic exchange interactions of j eff = 1 2 iridium moments on the fcc lattice in La 2 B IrO 6   ( B = Mg , Zn )

DOE PAGES

Aczel, A. A.; Cook, A. M.; Williams, T. J.; ...

2016-06-20

Here we have performed inelastic neutron scattering (INS) experiments to investigate the magnetic excitations in the weakly distorted face-centered-cubic (fcc) iridate double perovskites Lamore » $$_2$$ZnIrO$$_6$$ and La$$_2$$MgIrO$$_6$$, which are characterized by A-type antiferromagnetic ground states. The powder inelastic neutron scattering data on these geometrically frustrated $$j_{\\rm eff}=1/2$$ Mott insulators provide clear evidence for gapped spin wave excitations with very weak dispersion. The INS results and thermodynamic data on these materials can be reproduced by conventional Heisenberg-Ising models with significant uniaxial Ising anisotropy and sizeable second-neighbor ferromagnetic interactions. Such a uniaxial Ising exchange interaction is symmetry-forbidden on the ideal fcc lattice, so that it can only arise from the weak crystal distortions away from the ideal fcc limit. This may suggest that even weak distortions in $$j_{\\rm eff}=1/2$$ Mott insulators might lead to strong exchange anisotropies. More tantalizingly, however, we find an alternative viable explanation of the INS results in terms of spin models with a dominant Kitaev interaction. In contrast to the uniaxial Ising exchange, the highly-directional Kitaev interaction is a type of exchange anisotropy which is symmetry-allowed even on the ideal fcc lattice. The Kitaev model has a magnon gap induced by quantum order-by-disorder, while weak anisotropies of the Kitaev couplings generated by the symmetry-lowering due to lattice distortions can pin the order and enhance the magnon gap. In conclusion, our findings highlight how even conventional magnetic orders in heavy transition metal oxides may be driven by highly-directional exchange interactions rooted in strong spin-orbit coupling.« less

The weak lensing analysis of the CFHTLS and NGVS RedGOLD galaxy clusters

NASA Astrophysics Data System (ADS)

Parroni, C.; Mei, S.; Erben, T.; Van Waerbeke, L.; Raichoor, A.; Ford, J.; Licitra, R.; Meneghetti, M.; Hildebrandt, H.; Miller, L.; Côté, P.; Covone, G.; Cuillandre, J.-C.; Duc, P.-A.; Ferrarese, L.; Gwyn, S. D. J.; Puzia, T. H.

2017-12-01

An accurate estimation of galaxy cluster masses is essential for their use in cosmological and astrophysical studies. We studied the accuracy of the optical richness obtained by our RedGOLD cluster detection algorithm tep{licitra2016a, licitra2016b} as a mass proxy, using weak lensing and X-ray mass measurements. We measured stacked weak lensing cluster masses for a sample of 1323 galaxy clusters in the Canada-France-Hawaii Telescope Legacy Survey W1 and the Next Generation Virgo Cluster Survey at 0.2

The effect of Limber and flat-sky approximations on galaxy weak lensing

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lemos, Pablo; Challinor, Anthony; Efstathiou, George, E-mail: pl411@cam.ac.uk, E-mail: a.d.challinor@ast.cam.ac.uk, E-mail: gpe@ast.cam.ac.uk

We review the effect of the commonly-used Limber and flat-sky approximations on the calculation of shear power spectra and correlation functions for galaxy weak lensing. These approximations are accurate at small scales, but it has been claimed recently that their impact on low multipoles could lead to an increase in the amplitude of the mass fluctuations inferred from surveys such as CFHTLenS, reducing the tension between galaxy weak lensing and the amplitude determined by Planck from observations of the cosmic microwave background. Here, we explore the impact of these approximations on cosmological parameters derived from weak lensing surveys, using themore » CFHTLenS data as a test case. We conclude that the use of small-angle approximations for cosmological parameter estimation is negligible for current data, and does not contribute to the tension between current weak lensing surveys and Planck.« less

E2 enzyme inhibition by stabilization of a low affinity interface with ubiquitin

PubMed Central

St-Cyr, Daniel J.; Ziemba, Amy; Garg, Pankaj; Plamondon, Serge; Auer, Manfred; Sidhu, Sachdev; Marinier, Anne; Kleiger, Gary; Tyers, Mike; Sicheri, Frank

2014-01-01

Weak protein interactions between ubiquitin and the ubiquitin-proteasome system (UPS) enzymes that mediate its covalent attachment to substrates serve to position ubiquitin for optimal catalytic transfer. We show that a small molecule inhibitor of the E2 ubiquitin conjugating enzyme Cdc34A, called CC0651, acts by trapping a weak interaction between ubiquitin and the E2 donor ubiquitin binding site. A structure of the ternary CC0651-Cdc34A-ubiquitin complex reveals that the inhibitor engages a composite binding pocket formed from Cdc34A and ubiquitin. CC0651 also suppresses the spontaneous hydrolysis rate of the Cdc34A-ubiquitin thioester, without overtly affecting the interaction between Cdc34A and the RING domain subunit of the E3 enzyme. Stabilization of the numerous other weak interactions between ubiquitin and UPS enzymes by small molecules may be a feasible strategy to selectively inhibit different UPS activities. PMID:24316736

Structure-directing weak phosphoryl XH...O=P (X = C, N) hydrogen bonds in cyclic oxazaphospholidines and oxazaphosphinanes.

PubMed

van der Lee, A; Rolland, M; Marat, X; Virieux, D; Volle, J N; Pirat, J L

2008-04-01

The structures of six cyclic oxazaphospholidines and three cyclic oxazaphosphinanes have been determined and their supramolecular structures have been compared. The molecules differ with respect to the functional groups attached to the central five- or six-membered rings, but have one phosphoryl group in common. The predominant feature in the supramolecular structures is the existence of relatively weak intermolecular phosphoryl XH...O=P (X = C, N) hydrogen bonds, creating in nearly all cases linear zigzag or double molecular chains. The molecular chains are in general linked to each other via very weak CH...pi or usual hydrogen-bond interactions. A survey of the Cambridge Structural Database on similar XH...O=P interactions shows a very large flexibility of the XH...O angle, which is in agreement with the DFT calculation reported elsewhere. The strength of the XH...O=P interaction can therefore be considered as relatively weak to moderately strong, and is expected to play at least a role in the formation of secondary substructures.

Entire-Dataset Analysis of NMR Fast-Exchange Titration Spectra: A Mg2+ Titration Analysis for HIV-1 Ribonuclease H Domain.

PubMed

Karki, Ichhuk; Christen, Martin T; Spiriti, Justin; Slack, Ryan L; Oda, Masayuki; Kanaori, Kenji; Zuckerman, Daniel M; Ishima, Rieko

2016-12-15

This article communicates our study to elucidate the molecular determinants of weak Mg 2+ interaction with the ribonuclease H (RNH) domain of HIV-1 reverse transcriptase in solution. As the interaction is weak (a ligand-dissociation constant >1 mM), nonspecific Mg 2+ interaction with the protein or interaction of the protein with other solutes that are present in the buffer solution can confound the observed Mg 2+ -titration data. To investigate these indirect effects, we monitored changes in the chemical shifts of backbone amides of RNH by recording NMR 1 H- 15 N heteronuclear single-quantum coherence spectra upon titration of Mg 2+ into an RNH solution. We performed the titration under three different conditions: (1) in the absence of NaCl, (2) in the presence of 50 mM NaCl, and (3) at a constant 160 mM Cl - concentration. Careful analysis of these three sets of titration data, along with molecular dynamics simulation data of RNH with Na + and Cl - ions, demonstrates two characteristic phenomena distinct from the specific Mg 2+ interaction with the active site: (1) weak interaction of Mg 2+ , as a salt, with the substrate-handle region of the protein and (2) overall apparent lower Mg 2+ affinity in the absence of NaCl compared to that in the presence of 50 mM NaCl. A possible explanation may be that the titrated MgCl 2 is consumed as a salt and interacts with RNH in the absence of NaCl. In addition, our data suggest that Na + increases the kinetic rate of the specific Mg 2+ interaction at the active site of RNH. Taken together, our study provides biophysical insight into the mechanism of weak metal interaction on a protein.

Joint cosmic microwave background and weak lensing analysis: constraints on cosmological parameters.

PubMed

Contaldi, Carlo R; Hoekstra, Henk; Lewis, Antony

2003-06-06

We use cosmic microwave background (CMB) observations together with the red-sequence cluster survey weak lensing results to derive constraints on a range of cosmological parameters. This particular choice of observations is motivated by their robust physical interpretation and complementarity. Our combined analysis, including a weak nucleosynthesis constraint, yields accurate determinations of a number of parameters including the amplitude of fluctuations sigma(8)=0.89+/-0.05 and matter density Omega(m)=0.30+/-0.03. We also find a value for the Hubble parameter of H(0)=70+/-3 km s(-1) Mpc(-1), in good agreement with the Hubble Space Telescope key-project result. We conclude that the combination of CMB and weak lensing data provides some of the most powerful constraints available in cosmology today.

Why are living things sensitive to weak magnetic fields?

PubMed

Liboff, Abraham R

2014-09-01

There is evidence for robust interactions of weak ELF magnetic fields with biological systems. Quite apart from the difficulties attending a proper physical basis for such interactions, an equally daunting question asks why these should even occur, given the apparent lack of comparable signals in the long-term electromagnetic environment. We suggest that the biological basis is likely to be found in the weak (∼50 nT) daily swing in the geomagnetic field that results from the solar tidal force on free electrons in the upper atmosphere, a remarkably constant effect exactly in phase with the solar diurnal change. Because this magnetic change is locked into the solar-derived everyday diurnal response in living things, one can argue that it acts as a surrogate for the solar variation, and therefore plays a role in chronobiological processes. This implies that weak magnetic field interactions may have a chronodisruptive basis, homologous to the more familiar effects on the biological clock arising from sleep deprivation, phase-shift employment and light at night. It is conceivable that the widespread sensitivity of biological systems to weak ELF magnetic fields is vestigially derived from this diurnal geomagnetic effect.

Parity violation and the masslessness of the neutrino

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mannheim, P.D.

1978-09-01

It is proposed that the weak interaction be obtained by gauging the strong interaction chiral flavor group. The neutrinos are then four-component spinors. Pairs of right-handed neutrinos are allowed to condense into the vacuum. This produces maximal parity violation in both the quark and lepton sectors of the weak interaction, keeps the neutrinos massless, and also leads to the conventional Weinberg mixing pattern. The approach also in principle provides a way of calculating the Cabibbo angle. 11 references.

Spatial complexity reduces interaction strengths in the meta-food web of a river floodplain mosaic

USGS Publications Warehouse

Bellmore, James Ryan; Baxter, Colden Vance; Connolly, Patrick J.

2015-01-01

Theory states that both the spatial complexity of landscapes and the strength of interactions between consumers and their resources are important for maintaining biodiversity and the 'balance of nature.' Spatial complexity is hypothesized to promote biodiversity by reducing potential for competitive exclusion; whereas, models show weak trophic interactions can enhance stability and maintain biodiversity by dampening destabilizing oscillations associated with strong interactions. Here we show that spatial complexity can reduce the strength of consumer-resource interactions in natural food webs. By sequentially aggregating food webs of individual aquatic habitat patches across a floodplain mosaic, we found that increasing spatial complexity resulted in decreases in the strength of interactions between predators and prey, owing to a greater proportion of weak interactions and a reduced proportion of strong interactions in the meta-food web. The main mechanism behind this pattern was that some patches provided predation refugia for species which were often strongly preyed upon in other patches. If weak trophic interactions do indeed promote stability, then our findings may signal an additional mechanism by which complexity and stability are linked in nature. In turn, this may have implications for how the values of landscape complexity, and the costs of biophysical homogenization, are assessed.

Precision determination of weak charge of {sup 133}Cs from atomic parity violation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Porsev, S. G.; School of Physics, University of New South Wales, Sydney, New South Wales 2052; Petersburg Nuclear Physics Institute, Gatchina, Leningrad District 188300

2010-08-01

We discuss results of the most accurate to-date test of the low-energy electroweak sector of the standard model of elementary particles. Combining previous measurements with our high-precision calculations we extracted the weak charge of the {sup 133}Cs nucleus, Q{sub W}=-73.16(29){sub exp}(20){sub th}[S. G. Porsev, K. Beloy, and A. Derevianko, Phys. Rev. Lett. 102, 181601 (2009)]. The result is in perfect agreement with Q{sub W}{sup SM} predicted by the standard model, Q{sub W}{sup SM}=-73.16(3), and confirms energy dependence (or running) of the electroweak interaction and places constraints on a variety of new physics scenarios beyond the standard model. In particular, wemore » increase the lower limit on the masses of extra Z-bosons predicted by models of grand unification and string theories. This paper provides additional details to the earlier paper. We discuss large-scale calculations in the framework of the coupled-cluster method, including full treatment of single, double, and valence triple excitations. To determine the accuracy of the calculations we computed energies, electric-dipole amplitudes, and hyperfine-structure constants. An extensive comparison with high-accuracy experimental data was carried out.« less

Quantum Phase Transitions in the Bose Hubbard Model and in a Bose-Fermi Mixture

NASA Astrophysics Data System (ADS)

Duchon, Eric Nicholas

Ultracold atomic gases may be the ultimate quantum simulator. These isolated systems have the lowest temperatures in the observable universe, and their properties and interactions can be precisely and accurately tuned across a full spectrum of behaviors, from few-body physics to highly-correlated many-body effects. The ability to impose potentials on and tune interactions within ultracold gases to mimic complex systems mean they could become a theorist's playground. One of their great strengths, however, is also one of the largest obstacles to this dream: isolation. This thesis touches on both of these themes. First, methods to characterize phases and quantum critical points, and to construct finite temperature phase diagrams using experimentally accessible observables in the Bose Hubbard model are discussed. Then, the transition from a weakly to a strongly interacting Bose-Fermi mixture in the continuum is analyzed using zero temperature numerical techniques. Real materials can be emulated by ultracold atomic gases loaded into optical lattice potentials. We discuss the characteristics of a single boson species trapped in an optical lattice (described by the Bose Hubbard model) and the hallmarks of the quantum critical region that separates the superfluid and the Mott insulator ground states. We propose a method to map the quantum critical region using the single, experimentally accessible, local quantity R, the ratio of compressibility to local number fluctuations. The procedure to map a phase diagram with R is easily generalized to inhomogeneous systems and generic many-body Hamiltonians. We illustrate it here using quantum Monte Carlo simulations of the 2D Bose Hubbard model. Secondly, we investigate the transition from a degenerate Fermi gas weakly coupled to a Bose Einstein condensate to the strong coupling limit of composite boson-fermion molecules. We propose a variational wave function to investigate the ground state properties of such a Bose-Fermi mixture with equal population, as a function of increasing attraction between bosons and fermions. The variational wave function captures the weak and the strong coupling limits and at intermediate coupling we make two predictions using zero temperature quantum Monte Carlo methods: (I) a complete destruction of the atomic Fermi surface and emergence of a molecular Fermi sea that coexists with a remnant of the Bose-Einstein condensate, and (II) evidence for enhanced short-ranged fermion-fermion correlations mediated by bosons.

Weak Lensing Peaks in Simulated Light-Cones: Investigating the Coupling between Dark Matter and Dark Energy

NASA Astrophysics Data System (ADS)

Giocoli, Carlo; Moscardini, Lauro; Baldi, Marco; Meneghetti, Massimo; Metcalf, Robert B.

2018-05-01

In this paper, we study the statistical properties of weak lensing peaks in light-cones generated from cosmological simulations. In order to assess the prospects of such observable as a cosmological probe, we consider simulations that include interacting Dark Energy (hereafter DE) models with coupling term between DE and Dark Matter. Cosmological models that produce a larger population of massive clusters have more numerous high signal-to-noise peaks; among models with comparable numbers of clusters those with more concentrated haloes produce more peaks. The most extreme model under investigation shows a difference in peak counts of about 20% with respect to the reference ΛCDM model. We find that peak statistics can be used to distinguish a coupling DE model from a reference one with the same power spectrum normalisation. The differences in the expansion history and the growth rate of structure formation are reflected in their halo counts, non-linear scale features and, through them, in the properties of the lensing peaks. For a source redshift distribution consistent with the expectations of future space-based wide field surveys, we find that typically seventy percent of the cluster population contributes to weak-lensing peaks with signal-to-noise ratios larger than two, and that the fraction of clusters in peaks approaches one-hundred percent for haloes with redshift z ≤ 0.5. Our analysis demonstrates that peak statistics are an important tool for disentangling DE models by accurately tracing the structure formation processes as a function of the cosmic time.

p -wave superconductivity in weakly repulsive 2D Hubbard model with Zeeman splitting and weak Rashba spin-orbit coupling

NASA Astrophysics Data System (ADS)

Hugdal, Henning G.; Sudbø, Asle

2018-01-01

We study the superconducting order in a two-dimensional square lattice Hubbard model with weak repulsive interactions, subject to a Zeeman field and weak Rashba spin-orbit interactions. Diagonalizing the noninteracting Hamiltonian leads to two separate bands, and by deriving an effective low-energy interaction we find the mean field gap equations for the superconducting order parameter on the bands. Solving the gap equations just below the critical temperature, we find that superconductivity is caused by Kohn-Luttinger-type interaction, while the pairing symmetry of the bands is indirectly affected by the spin-orbit coupling. The dominating attractive momentum channel of the Kohn-Luttinger term depends on the filling fraction n of the system, and it is therefore possible to change the momentum dependence of the order parameter by tuning n . Moreover, n also determines which band has the highest critical temperature. Rotating the magnetic field changes the momentum dependence from states that for small momenta reduce to a chiral px±i py type state for out-of-plane fields, to a nodal p -wave-type state for purely in-plane fields.

Large Deviations in Weakly Interacting Boundary Driven Lattice Gases

NASA Astrophysics Data System (ADS)

van Wijland, Frédéric; Rácz, Zoltán

2005-01-01

One-dimensional, boundary-driven lattice gases with local interactions are studied in the weakly interacting limit. The density profiles and the correlation functions are calculated to first order in the interaction strength for zero-range and short-range processes differing only in the specifics of the detailed-balance dynamics. Furthermore, the effective free-energy (large-deviation function) and the integrated current distribution are also found to this order. From the former, we find that the boundary drive generates long-range correlations only for the short-range dynamics while the latter provides support to an additivity principle recently proposed by Bodineau and Derrida.

CP Violation, Neutral Currents, and Weak Equivalence

DOE R&D Accomplishments Database

Fitch, V. L.

1972-03-23

Within the past few months two excellent summaries of the state of our knowledge of the weak interactions have been presented. Correspondingly, we will not attempt a comprehensive review but instead concentrate this discussion on the status of CP violation, the question of the neutral currents, and the weak equivalence principle.

Pharmacokinetic Drug Interactions with Panax ginseng.

PubMed

Ramanathan, Meenakshi R; Penzak, Scott R

2017-08-01

Panax ginseng is widely used as an adaptogen throughout the world. The major active constituents of P. ginseng are ginsenosides. Most naturally occurring ginsenosides are deglycosylated by colonic bacteria to intestinal metabolites. Ginsenosides along with these metabolites are widely accepted as being responsible for the pharmacologic activity and drug interaction potential of ginseng. Numerous preclinical studies have assessed the influence of various ginseng components on cytochrome P450 (CYP), glucuronidation, and drug transport activity. Results from these investigations have been largely inconclusive due to the use of different ginseng products and variations in methodology between studies. Drug interaction studies in humans have been conflicting and have largely yielded negative results or results that suggest only a weak interaction. One study using a midazolam probe found weak CYP3A induction and another using a fexofenadine probe found weak P-gp inhibition. Despite several case reports indicating a drug interaction between warfarin and P. ginseng, pharmacokinetic studies involving these agents in combination have failed to find significant pharmacokinetic or pharmacodynamic interactions. To this end, drug interactions involving P. ginseng appear to be rare; however, close clinical monitoring is still suggested for patients taking warfarin or CYP3A or P-gp substrates with narrow therapeutic indices.

Measuring radio-signal power accurately

NASA Technical Reports Server (NTRS)

Goldstein, R. M.; Newton, J. W.; Winkelstein, R. A.

1979-01-01

Absolute value of signal power in weak radio signals is determined by computer-aided measurements. Equipment operates by averaging received signal over several-minute period and comparing average value with noise level of receiver previously calibrated.

Role of Interactions and Correlations on Collective Dynamics of Molecular Motors Along Parallel Filaments

NASA Astrophysics Data System (ADS)

Midha, Tripti; Gupta, Arvind Kumar

2017-11-01

Cytoskeletal motors known as motor proteins are molecules that drive cellular transport along several parallel cytoskeletal filaments and support many biological processes. Experimental evidences suggest that they interact with the nearest molecules of their filament while performing any mechanical work. These interactions modify the microscopic level properties of motor proteins. In this work, a new version of two-channel totally asymmetric simple exclusion process, that incorporates the intra-channel interactions in a thermodynamically consistent way, is proposed. As the existing approaches for multi-channel systems deviate from analyzing the combined effect of inter and intra-channel interactions, a new approach known as modified vertical cluster mean field is developed. The approach along with Monte Carlo simulations successfully encounters some correlations and computes the complex dynamic properties of the system. Role of symmetry of interactions and inter-channel coupling is observed on the phase diagrams, maximal particle current and its corresponding optimal interaction strength. Surprisingly, for all values of coupling rate and most of the interaction splittings, the optimal interaction strength corresponding to maximal current belongs to the case of weak repulsive interactions. Moreover, for weak interaction splittings and with an increase in the coupling rate, the optimal interaction strength tends towards the known experimental results. The effect of coupling as well as interaction energy is also measured for correlations. They are found to be short-range and weaker for repulsive and weak attractive interactions while they are long-range and stronger for large attractions.

Extracting joint weak values with local, single-particle measurements.

PubMed

Resch, K J; Steinberg, A M

2004-04-02

Weak measurement is a new technique which allows one to describe the evolution of postselected quantum systems. It appears to be useful for resolving a variety of thorny quantum paradoxes, particularly when used to study properties of pairs of particles. Unfortunately, such nonlocal or joint observables often prove difficult to measure directly in practice (for instance, in optics-a common testing ground for this technique-strong photon-photon interactions would be needed to implement an appropriate von Neumann interaction). Here we derive a general, experimentally feasible, method for extracting these joint weak values from correlations between single-particle observables.

High-dimensional neural network potentials for solvation: The case of protonated water clusters in helium

NASA Astrophysics Data System (ADS)

Schran, Christoph; Uhl, Felix; Behler, Jörg; Marx, Dominik

2018-03-01

The design of accurate helium-solute interaction potentials for the simulation of chemically complex molecules solvated in superfluid helium has long been a cumbersome task due to the rather weak but strongly anisotropic nature of the interactions. We show that this challenge can be met by using a combination of an effective pair potential for the He-He interactions and a flexible high-dimensional neural network potential (NNP) for describing the complex interaction between helium and the solute in a pairwise additive manner. This approach yields an excellent agreement with a mean absolute deviation as small as 0.04 kJ mol-1 for the interaction energy between helium and both hydronium and Zundel cations compared with coupled cluster reference calculations with an energetically converged basis set. The construction and improvement of the potential can be performed in a highly automated way, which opens the door for applications to a variety of reactive molecules to study the effect of solvation on the solute as well as the solute-induced structuring of the solvent. Furthermore, we show that this NNP approach yields very convincing agreement with the coupled cluster reference for properties like many-body spatial and radial distribution functions. This holds for the microsolvation of the protonated water monomer and dimer by a few helium atoms up to their solvation in bulk helium as obtained from path integral simulations at about 1 K.

High-dimensional neural network potentials for solvation: The case of protonated water clusters in helium.

PubMed

Schran, Christoph; Uhl, Felix; Behler, Jörg; Marx, Dominik

2018-03-14

The design of accurate helium-solute interaction potentials for the simulation of chemically complex molecules solvated in superfluid helium has long been a cumbersome task due to the rather weak but strongly anisotropic nature of the interactions. We show that this challenge can be met by using a combination of an effective pair potential for the He-He interactions and a flexible high-dimensional neural network potential (NNP) for describing the complex interaction between helium and the solute in a pairwise additive manner. This approach yields an excellent agreement with a mean absolute deviation as small as 0.04 kJ mol -1 for the interaction energy between helium and both hydronium and Zundel cations compared with coupled cluster reference calculations with an energetically converged basis set. The construction and improvement of the potential can be performed in a highly automated way, which opens the door for applications to a variety of reactive molecules to study the effect of solvation on the solute as well as the solute-induced structuring of the solvent. Furthermore, we show that this NNP approach yields very convincing agreement with the coupled cluster reference for properties like many-body spatial and radial distribution functions. This holds for the microsolvation of the protonated water monomer and dimer by a few helium atoms up to their solvation in bulk helium as obtained from path integral simulations at about 1 K.

Testing for context-dependence in a processing chain interaction among detritus-feeding aquatic insects

PubMed Central

DAUGHERTY, MATTHEW P.; JULIANO, STEVEN A.

2008-01-01

Scirtid beetles may benefit mosquitoes Ochlerotatus triseriatus (Say) by consuming whole leaves and leaving behind fine particles required by mosquito larvae. Such interactions based on the sequential use of a resource that occurs in multiple forms are known as processing chains.Models of processing chains predict that interactions can vary from commensal (0, +) to amensal (0, −), depending on how quickly resource is processed in the absence of consumers.The scirtid-O. triseriatus system was used to test the prediction derived from processing chain models that, as consumer-independent processing increases, scirtids benefit mosquitoes less. Consumer-independent processing rate was manipulated by using different leaf species that vary in decay rate, or by physically crushing a single leaf type to different degrees.Although scirtids increased the production of fine particles, the effects of scirtids on mosquitoes were weak and were not dependent on consumer-independent processing rate.In the leaf manipulation experiment, a correlation between scirtid feeding and consumer-independent processing was detected. Numerical simulations suggest that such a correlation may eliminate shifts from commensal to amensal at equilibrium; because mosquito populations are typically not at equilibrium, however, this correlation may not be important.There was evidence that mosquitoes affected scirtids negatively, which is inconsistent with the structure of processing chain interactions in models. Processing chain models need to incorporate more detail on the biology of scirtids and O. triseriatus, especially alternative mechanisms of interaction, if they are to describe scirtid-O. triseriatus dynamics accurately. PMID:19060960

Weak turbulence theory for beam-plasma interaction

NASA Astrophysics Data System (ADS)

Yoon, Peter H.

2018-01-01

The kinetic theory of weak plasma turbulence, of which Ronald C. Davidson was an important early pioneer [R. C. Davidson, Methods in Nonlinear Plasma Theory, (Academic Press, New York, 1972)], is a venerable and valid theory that may be applicable to a large number of problems in both laboratory and space plasmas. This paper applies the weak turbulence theory to the problem of gentle beam-plasma interaction and Langmuir turbulence. It is shown that the beam-plasma interaction undergoes various stages of physical processes starting from linear instability, to quasilinear saturation, to mode coupling that takes place after the quasilinear stage, followed by a state of quasi-static "turbulent equilibrium." The long term quasi-equilibrium stage is eventually perturbed by binary collisional effects in order to bring the plasma to a thermodynamic equilibrium with increased entropy.

First-principles binary diffusion coefficients for H, H 2 and four normal alkanes + N 2

DOE PAGES

Jasper, Ahren W.; Kamarchik, Eugene; Miller, James A.; ...

2014-09-30

Collision integrals related to binary (dilute gas) diffusion are calculated classically for six species colliding with N 2. The most detailed calculations make no assumptions regarding the complexity of the potential energy surface, and the resulting classical collision integrals are in excellent agreement with previous semiclassical results for H + N 2 and H 2 + N 2 and with recent experimental results for C n H 2n+2 + N 2, n = 2–4. The detailed classical results are used to test the accuracy of three simplifying assumptions typically made when calculating collision integrals: (1) approximating the intermolecular potential asmore » isotropic, (2) neglecting the internal structure of the colliders (i.e., neglecting inelasticity), and (3) employing unphysical R –12 repulsive interactions. The effect of anisotropy is found to be negligible for H + N 2 and H 2 + N 2 (in agreement with previous quantum mechanical and semiclassical results for systems involving atomic and diatomic species) but is more significant for larger species at low temperatures. For example, the neglect of anisotropy decreases the diffusion coefficient for butane + N 2 by 15% at 300 K. The neglect of inelasticity, in contrast, introduces only very small errors. Approximating the repulsive wall as an unphysical R –12 interaction is a significant source of error at all temperatures for the weakly interacting systems H + N 2 and H 2 + N 2, with errors as large as 40%. For the normal alkanes in N 2, which feature stronger interactions, the 12/6 Lennard–Jones approximation is found to be accurate, particularly at temperatures above –700 K where it predicts the full-dimensional result to within 5% (although with somewhat different temperature dependence). Overall, the typical practical approach of assuming isotropic 12/6 Lennard–Jones interactions is confirmed to be suitable for combustion applications except for weakly interacting systems, such as H + N 2. For these systems, anisotropy and inelasticity can safely be neglected but a more detailed description of the repulsive wall is required for quantitative predictions. Moreover, a straightforward approach for calculating effective isotropic potentials with realistic repulsive walls is described. An analytic expression for the calculated diffusion coefficient for H + N 2 is presented and is estimated to have a 2-sigma error bar of only 0.7%.« less

Environmental Dependence of Warps in Spiral Galaxies

NASA Astrophysics Data System (ADS)

Ann, Hong Bae; Bae, Hyun Jeong

2016-12-01

We determined the warp parameters of 192 warped galaxies which are selected from 340 edge-on galaxies using color images as well as r-band isophotal maps. We derive the local background density (Σ_{n}) to examine the dependence of the warp amplitudes on the galaxy environment. We find a clear trend that strongly warped galaxies are likely to be found in high density regions where tidal interactions are supposed to be frequent. However, the correlation between α_{w} and Σ_{n} is too weak for weakly warped galaxies (α_{w} < 4°) and the cumulative distributions of weakly warped galaxies are not significantly different from those of galaxies with no detectable warps. This suggests that tidal interactions do not play a decisive role in the formation of weak warps.}

Effect of headgroup size, charge, and solvent structure on polymer-micelle interactions, studied by molecular dynamics simulations.

PubMed

Shang, Barry Z; Wang, Zuowei; Larson, Ronald G

2009-11-19

We performed atomistic molecular dynamics simulations of anionic and cationic micelles in the presence of poly(ethylene oxide) (PEO) to understand why nonionic water-soluble polymers such as PEO interact strongly with anionic micelles but only weakly with cationic micelles. Our micelles include sodium n-dodecyl sulfate (SDS), n-dodecyl trimethylammonium chloride (DTAC), n-dodecyl ammonium chloride (DAC), and micelles in which we artificially reverse the sign of partial charges in SDS and DTAC. We observe that the polymer interacts hydrophobically with anionic SDS but only weakly with cationic DTAC and DAC, in agreement with experiment. However, the polymer also interacts with the artificial anionic DTAC but fails to interact hydrophobically with the artificial cationic SDS, illustrating that large headgroup size does not explain the weak polymer interaction with cationic micelles. In addition, we observe through simulation that this preference for interaction with anionic micelles still exists in a dipolar "dumbbell" solvent, indicating that water structure and hydrogen bonding alone cannot explain this preferential interaction. Our simulations suggest that direct electrostatic interactions between the micelle and polymer explain the preference for interaction with anionic micelles, even though the polymer overall carries no net charge. This is possible given the asymmetric distribution of negative charges on smaller atoms and positive charges on larger units in the polymer chain.

Assessing Binocular Interaction in Amblyopia and Its Clinical Feasibility

PubMed Central

Kwon, MiYoung; Lu, Zhong-Lin; Miller, Alexandra; Kazlas, Melanie; Hunter, David G.; Bex, Peter J.

2014-01-01

Purpose To measure binocular interaction in amblyopes using a rapid and patient-friendly computer-based method, and to test the feasibility of the assessment in the clinic. Methods Binocular interaction was assessed in subjects with strabismic amblyopia (n = 7), anisometropic amblyopia (n = 6), strabismus without amblyopia (n = 15) and normal vision (n = 40). Binocular interaction was measured with a dichoptic phase matching task in which subjects matched the position of a binocular probe to the cyclopean perceived phase of a dichoptic pair of gratings whose contrast ratios were systematically varied. The resulting effective contrast ratio of the weak eye was taken as an indicator of interocular imbalance. Testing was performed in an ophthalmology clinic under 8 mins. We examined the relationships between our binocular interaction measure and standard clinical measures indicating abnormal binocularity such as interocular acuity difference and stereoacuity. The test-retest reliability of the testing method was also evaluated. Results Compared to normally-sighted controls, amblyopes exhibited significantly reduced effective contrast (∼20%) of the weak eye, suggesting a higher contrast requirement for the amblyopic eye compared to the fellow eye. We found that the effective contrast ratio of the weak eye covaried with standard clincal measures of binocular vision. Our results showed that there was a high correlation between the 1st and 2nd measurements (r = 0.94, p<0.001) but without any significant bias between the two. Conclusions Our findings demonstrate that abnormal binocular interaction can be reliably captured by measuring the effective contrast ratio of the weak eye and quantitative assessment of binocular interaction is a quick and simple test that can be performed in the clinic. We believe that reliable and timely assessment of deficits in a binocular interaction may improve detection and treatment of amblyopia. PMID:24959842

Weak interactions involving organic fluorine: analysis of structural motifs in Flunazirine and Haloperidol

NASA Astrophysics Data System (ADS)

Prasanna, M. D.; Row, T. N. Guru

2001-05-01

The crystal structure of Flunazirine, an anticonvulsant drug, is analyzed in terms of intermolecular interactions involving fluorine. The structure displays motifs formed by only weak interactions C-H⋯F and C-H⋯π. The motifs thus generated show cavities, which could serve as hosts for complexation. The structure of Flunazirine displays cavities formed by C-H⋯F and C-H⋯π interactions. Haloperidol, an antipsychotic drug, shows F⋯F interactions in the crystalline lattice in lieu of Cl⋯Cl interactions. However, strong O-H⋯N interactions dominate packing. The salient features of the two structures in terms of intermolecular interactions reveal, even though organic fluorine has lower tendency to engage in hydrogen bonding and F⋯F interactions, these interactions could play a significant role in the design of molecular assemblies via crystal engineering.

Extension of lattice cluster theory to strongly interacting, self-assembling polymeric systems.

PubMed

Freed, Karl F

2009-02-14

A new extension of the lattice cluster theory is developed to describe the influence of monomer structure and local correlations on the free energy of strongly interacting and self-assembling polymer systems. This extension combines a systematic high dimension (1/d) and high temperature expansion (that is appropriate for weakly interacting systems) with a direct treatment of strong interactions. The general theory is illustrated for a binary polymer blend whose two components contain "sticky" donor and acceptor groups, respectively. The free energy is determined as an explicit function of the donor-acceptor contact probabilities that depend, in turn, on the local structure and both the strong and weak interactions.

Interacting quantum dot coupled to a kondo spin: a universal Hamiltonian study.

PubMed

Rotter, Stefan; Türeci, Hakan E; Alhassid, Y; Stone, A Douglas

2008-04-25

We study a Kondo spin coupled to a mesoscopic interacting quantum dot that is described by the "universal Hamiltonian." The problem is solved numerically by diagonalizing the system Hamiltonian in a good-spin basis and analytically in the weak and strong Kondo coupling limits. The ferromagnetic exchange interaction within the dot leads to a stepwise increase of the ground-state spin (Stoner staircase), which is modified nontrivially by the Kondo interaction. We find that the spin-transition steps move to lower values of the exchange coupling for weak Kondo interaction, but shift back up for sufficiently strong Kondo coupling. The interplay between Kondo and ferromagnetic exchange correlations can be probed with experimentally tunable parameters.

Towards First Principles-Based Prediction of Highly Accurate Electrochemical Pourbaix Diagrams

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zeng, Zhenhua; Chan, Maria K. Y.; Zhao, Zhi-Jian

2015-08-13

Electrochemical potential/pH (Pourbaix) diagrams underpin many aqueous electrochemical processes and are central to the identification of stable phases of metals for processes ranging from electrocatalysis to corrosion. Even though standard DFT calculations are potentially powerful tools for the prediction of such diagrams, inherent errors in the description of transition metal (hydroxy)oxides, together with neglect of van der Waals interactions, have limited the reliability of such predictions for even the simplest pure metal bulk compounds, and corresponding predictions for more complex alloy or surface structures are even more challenging. In the present work, through synergistic use of a Hubbard U correction,more » a state-of-the-art dispersion correction, and a water-based bulk reference state for the calculations, these errors are systematically corrected. The approach describes the weak binding that occurs between hydroxyl-containing functional groups in certain compounds in Pourbaix diagrams, corrects for self-interaction errors in transition metal compounds, and reduces residual errors on oxygen atoms by preserving a consistent oxidation state between the reference state, water, and the relevant bulk phases. The strong performance is illustrated on a series of bulk transition metal (Mn, Fe, Co and Ni) hydroxides, oxyhydroxides, binary, and ternary oxides, where the corresponding thermodynamics of redox and (de)hydration are described with standard errors of 0.04 eV per (reaction) formula unit. The approach further preserves accurate descriptions of the overall thermodynamics of electrochemically-relevant bulk reactions, such as water formation, which is an essential condition for facilitating accurate analysis of reaction energies for electrochemical processes on surfaces. The overall generality and transferability of the scheme suggests that it may find useful application in the construction of a broad array of electrochemical phase diagrams, including both bulk Pourbaix diagrams and surface phase diagrams of interest for corrosion and electrocatalysis.« less

A weakly nonlinear theory for wave-vortex interactions in curved channel flow

NASA Technical Reports Server (NTRS)

Singer, Bart A.; Erlebacher, Gordon; Zang, Thomas A.

1992-01-01

A weakly nonlinear theory is developed to study the interaction of Tollmien-Schlichting (TS) waves and Dean vortices in curved channel flow. The predictions obtained from the theory agree well with results obtained from direct numerical simulations of curved channel flow, especially for low amplitude disturbances. Some discrepancies in the results of a previous theory with direct numerical simulations are resolved.

Synergistic foaming and surface properties of a weakly interacting mixture of soy glycinin and biosurfactant stevioside.

PubMed

Wan, Zhi-Li; Wang, Li-Ying; Wang, Jin-Mei; Yuan, Yang; Yang, Xiao-Quan

2014-07-16

The adsorption of the mixtures of soy glycinin (11S) with a biosurfactant stevioside (STE) at the air-water interface was studied to understand its relation with foaming properties. A combination of several techniques such as dynamic surface tension, dilatational rheology, fluorescence spectroscopy, and isothermal titration calorimetry (ITC) was used. In the presence of intermediate STE concentrations (0.25-0.5%), the weak binding of STE with 11S in bulk occurred by hydrophobic interactions, which could induce conformational changes of 11S, as evidenced by fluorescence and ITC. Accordingly, the strong synergy in reducing surface tension and the plateau in surface elasticity for mixed 11S-STE layers formed from the weakly interacting mixtures were clearly observed. This effect could be explained by the complexation with STE, which might facilitate the partial dissociation and further unfolding of 11S upon adsorption, thus enhancing the protein-protein and protein-STE interfacial interactions. These surface properties were positively reflected in foams produced by the weakly interacting system, which exhibited good foaming capacity and considerable stability probably due to better response to external stresses. However, at high STE concentrations (1-2%), as a consequence of the interface dominated by STE due to the preferential adsorption of STE molecules, the surface elasticity of layers dramatically decreased, and the resultant foams became less stable.

Universality of emergent states in diverse physical systems

NASA Astrophysics Data System (ADS)

Guidry, Mike

2017-12-01

Our physics textbooks are dominated by examples of simple weakly-interacting microscopic states, but most of the real world around us is most effectively described in terms of emergent states that have no clear connection to simple textbook states. Emergent states are strongly-correlated and dominated by properties that emerge as a consequence of interactions and are not part of the description of the corresponding weakly-interacting system. This paper proposes a connection of weakly-interacting textbook states and realistic emergent states through fermion dynamical symmetries having fully-microscopic generators of the emergent states. These imply unique truncation of the Hilbert space for the weakly-interacting system to a collective subspace where the emergent states live. Universality arises because the possible symmetries under commutation of generators, which transcend the microscopic structure of the generators, are highly restricted in character and determine the basic structure of the emergent state, with the microscopic structure of the generators influencing emergent state only parametrically. In support of this idea we show explicit evidence that high-temperature superconductors, collective states in heavy atomic nuclei, and graphene quantum Hall states in strong magnetic fields exhibit a near-universal emergent behavior in their microscopically-computed total energy surfaces, even though these systems share essentially nothing in common at the microscopic level and their emergent states are characterized by fundamentally different order parameters.

Probing the weak interaction of proteins with neutral and zwitterionic antifouling polymers.

PubMed

Wu, Jiang; Zhao, Chao; Hu, Rundong; Lin, Weifeng; Wang, Qiuming; Zhao, Jun; Bilinovich, Stephanie M; Leeper, Thomas C; Li, Lingyan; Cheung, Harry M; Chen, Shengfu; Zheng, Jie

2014-02-01

Protein-polymer interactions are of great interest in a wide range of scientific and technological applications. Neutral poly(ethylene glycol) (PEG) and zwitterionic poly(sulfobetaine methacrylate) (pSBMA) are two well-known nonfouling materials that exhibit strong surface resistance to proteins. However, it still remains unclear or unexplored how PEG and pSBMA interact with proteins in solution. In this work, we examine the interactions between two model proteins (bovine serum albumin and lysozyme) and two typical antifouling polymers of PEG and pSBMA in aqueous solution using fluorescence spectroscopy, atomic force microscopy and nuclear magnetic resonance. The effect of protein:polymer mass ratios on the interactions is also examined. Collective data clearly demonstrate the existence of weak hydrophobic interactions between PEG and proteins, while there are no detectable interactions between pSBMA and proteins. The elimination of protein interaction with pSBMA could be due to an enhanced surface hydration of zwitterionic groups in pSBMA. New evidence is given to demonstrate the interactions between PEG and proteins, which are often neglected in the literature because the PEG-protein interactions are weak and reversible, as well as the structural change caused by hydrophobic interaction. This work provides a better fundamental understanding of the intrinsic structure-activity relationship of polymers underlying polymer-protein interactions, which are important for designing new biomaterials for biosensor, medical diagnostics and drug delivery applications. Copyright © 2013 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Nonthermal Supermassive Dark Matter

NASA Technical Reports Server (NTRS)

Chung, Daniel J. H.; Kolb, Edward W.; Riotto, Antonio

1999-01-01

We discuss several cosmological production mechanisms for nonthermal supermassive dark matter and argue that dark matter may he elementary particles of mass much greater than the weak scale. Searches for dark matter should ma be limited to weakly interacting particles with mass of the order of the weak scale, but should extend into the supermassive range as well.

Excitonic effects in two-dimensional semiconductors: Path integral Monte Carlo approach

DOE PAGES

Velizhanin, Kirill A.; Saxena, Avadh

2015-11-01

The most striking features of novel two-dimensional semiconductors (e.g., transition metal dichalcogenide monolayers or phosphorene) is a strong Coulomb interaction between charge carriers resulting in large excitonic effects. In particular, this leads to the formation of multicarrier bound states upon photoexcitation (e.g., excitons, trions, and biexcitons), which could remain stable at near-room temperatures and contribute significantly to the optical properties of such materials. In our work we have used the path integral Monte Carlo methodology to numerically study properties of multicarrier bound states in two-dimensional semiconductors. Specifically, we have accurately investigated and tabulated the dependence of single-exciton, trion, and biexcitonmore » binding energies on the strength of dielectric screening, including the limiting cases of very strong and very weak screening. Our results of this work are potentially useful in the analysis of experimental data and benchmarking of theoretical and computational models.« less

Predictive wind turbine simulation with an adaptive lattice Boltzmann method for moving boundaries

NASA Astrophysics Data System (ADS)

Deiterding, Ralf; Wood, Stephen L.

2016-09-01

Operating horizontal axis wind turbines create large-scale turbulent wake structures that affect the power output of downwind turbines considerably. The computational prediction of this phenomenon is challenging as efficient low dissipation schemes are necessary that represent the vorticity production by the moving structures accurately and that are able to transport wakes without significant artificial decay over distances of several rotor diameters. We have developed a parallel adaptive lattice Boltzmann method for large eddy simulation of turbulent weakly compressible flows with embedded moving structures that considers these requirements rather naturally and enables first principle simulations of wake-turbine interaction phenomena at reasonable computational costs. The paper describes the employed computational techniques and presents validation simulations for the Mexnext benchmark experiments as well as simulations of the wake propagation in the Scaled Wind Farm Technology (SWIFT) array consisting of three Vestas V27 turbines in triangular arrangement.

Magnetic Field Observations near Venus: Preliminary Results from Mariner 10.

PubMed

Ness, N F; Behannon, K W; Lepping, R P; Whang, Y C; Schatten, K H

1974-03-29

The NASA-GSFC magnetic field experiment on Mariner 10 is the first flight of a dual magnetometer system conceived to permit accurate measurements of weak magnetic fields in space in the presence of a significant and variable spacecraft magnetic field. Results from a preliminary analysis of a limted data set are summarized in this report, which is restricted primarily to Venus encounter. A detached bow shock wave that develops as the super Alfvénic solar wind interacts with the Venusian atmosphere has been observed. However, the unique coincidence of trajectory position and interplanetary field orientation at the time of bow shock crossing led to a very disturbed shock profile with considerably enhanced upstream magnetic fluctuations. At present it is not possible to ascertain the nature and characteristics of the obstacle responsible for deflecting the solar wind flow. Far downstream disturbances associated with the solar wind wake have been observed.

Communication: A novel implementation to compute MP2 correlation energies without basis set superposition errors and complete basis set extrapolation.

PubMed

Dixit, Anant; Claudot, Julien; Lebègue, Sébastien; Rocca, Dario

2017-06-07

By using a formulation based on the dynamical polarizability, we propose a novel implementation of second-order Møller-Plesset perturbation (MP2) theory within a plane wave (PW) basis set. Because of the intrinsic properties of PWs, this method is not affected by basis set superposition errors. Additionally, results are converged without relying on complete basis set extrapolation techniques; this is achieved by using the eigenvectors of the static polarizability as an auxiliary basis set to compactly and accurately represent the response functions involved in the MP2 equations. Summations over the large number of virtual states are avoided by using a formalism inspired by density functional perturbation theory, and the Lanczos algorithm is used to include dynamical effects. To demonstrate this method, applications to three weakly interacting dimers are presented.

Lifetime of heavy hypernuclei and its implications on the weak ΛN interaction

NASA Astrophysics Data System (ADS)

Cassing, W.; Jarczyk, L.; Kamys, B.; Kulessa, P.; Ohm, H.; Pysz, K.; Rudy, Z.; Schult, O. W. B.; Ströher, H.

The lifetime of the Λ-hyperon in heavy hypernuclei measured in proton-Au, -Bi and -U collisions by the COSY-13 Collaboration at COSY-Jülich has been analyzed to yield τΛ = (145+/-11) ps. This value for τΛ is compatible with the lifetime extracted from antiproton annihilation on Bi and U targets, albeit much more accurate. Theoretical models based on the meson exchange picture and assuming the validity of the phenomenological ΔI = 1/2 rule predict the lifetime of heavy hypernuclei to be significantly larger (2-3 standard deviations). Such large differences indicate that at least one of the assumptions in these models is not fulfilled. A much better reproduction of the lifetimes of heavy hypernuclei is achieved in the phase space model, if the ΔI = 1/2 rule is discarded in the nonmesonic Λ decay.

An optimized strategy to measure protein stability highlights differences between cold and hot unfolded states

NASA Astrophysics Data System (ADS)

Alfano, Caterina; Sanfelice, Domenico; Martin, Stephen R.; Pastore, Annalisa; Temussi, Piero Andrea

2017-05-01

Macromolecular crowding ought to stabilize folded forms of proteins, through an excluded volume effect. This explanation has been questioned and observed effects attributed to weak interactions with other cell components. Here we show conclusively that protein stability is affected by volume exclusion and that the effect is more pronounced when the crowder's size is closer to that of the protein under study. Accurate evaluation of the volume exclusion effect is made possible by the choice of yeast frataxin, a protein that undergoes cold denaturation above zero degrees, because the unfolded form at low temperature is more expanded than the corresponding one at high temperature. To achieve optimum sensitivity to changes in stability we introduce an empirical parameter derived from the stability curve. The large effect of PEG 20 on cold denaturation can be explained by a change in water activity, according to Privalov's interpretation of cold denaturation.

Calculation of smooth potential energy surfaces using local electron correlation methods

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mata, Ricardo A.; Werner, Hans-Joachim

2006-11-14

The geometry dependence of excitation domains in local correlation methods can lead to noncontinuous potential energy surfaces. We propose a simple domain merging procedure which eliminates this problem in many situations. The method is applied to heterolytic bond dissociations of ketene and propadienone, to SN2 reactions of Cl{sup -} with alkylchlorides, and in a quantum mechanical/molecular mechanical study of the chorismate mutase enzyme. It is demonstrated that smooth potentials are obtained in all cases. Furthermore, basis set superposition error effects are reduced in local calculations, and it is found that this leads to better basis set convergence when computing barriermore » heights or weak interactions. When the electronic structure strongly changes between reactants or products and the transition state, the domain merging procedure leads to a balanced description of all structures and accurate barrier heights.« less

The Spindle Positioning Protein Kar9p Interacts With the Sumoylation Machinery in Saccharomyces cerevisiae

PubMed Central

Meednu, Nida; Hoops, Harold; D'Silva, Sonia; Pogorzala, Leah; Wood, Schuyler; Farkas, David; Sorrentino, Mark; Sia, Elaine; Meluh, Pam; Miller, Rita K.

2008-01-01

Accurate positioning of the mitotic spindle is important for the genetic material to be distributed evenly in dividing cells, but little is known about the mechanisms that regulate this process. Here we report that two microtubule-associated proteins important for spindle positioning interact with several proteins in the sumoylation pathway. By two-hybrid analysis, Kar9p and Bim1p interact with the yeast SUMO Smt3p, the E2 enzyme Ubc9p, an E3 Nfi1p, as well as Wss1p, a weak suppressor of a temperature-sensitive smt3 allele. The physical interaction between Kar9p and Ubc9p was confirmed by in vitro binding assays. A single-amino-acid substitution in Kar9p, L304P disrupted its two-hybrid interaction with proteins in the sumoylation pathway, but retained its interactions with the spindle positioning proteins Bim1p, Stu2p, Bik1p, and Myo2p. The kar9-L304P mutant showed defects in positioning the mitotic spindle, with the spindle located more distally than normal. Whereas wild-type Kar9p-3GFP normally localizes to only the bud-directed spindle pole body (SPB), Kar9p-L304P-3GFP was mislocalized to both SPBs. Using a reconstitution assay, Kar9p was sumoylated in vitro. We propose a model in which sumoylation regulates spindle positioning by restricting Kar9p to one SPB. These findings raise the possibility that sumoylation could regulate other microtubule-dependent processes. PMID:18832349

Accurate experimental and theoretical comparisons between superconductor-insulator-superconductor mixers showing weak and strong quantum effects

NASA Technical Reports Server (NTRS)

Mcgrath, W. R.; Richards, P. L.; Face, D. W.; Prober, D. E.; Lloyd, F. L.

1988-01-01

A systematic study of the gain and noise in superconductor-insulator-superconductor mixers employing Ta based, Nb based, and Pb-alloy based tunnel junctions was made. These junctions displayed both weak and strong quantum effects at a signal frequency of 33 GHz. The effects of energy gap sharpness and subgap current were investigated and are quantitatively related to mixer performance. Detailed comparisons are made of the mixing results with the predictions of a three-port model approximation to the Tucker theory. Mixer performance was measured with a novel test apparatus which is accurate enough to allow for the first quantitative tests of theoretical noise predictions. It is found that the three-port model of the Tucker theory underestimates the mixer noise temperature by a factor of about 2 for all of the mixers. In addition, predicted values of available mixer gain are in reasonable agreement with experiment when quantum effects are weak. However, as quantum effects become strong, the predicted available gain diverges to infinity, which is in sharp contrast to the experimental results. Predictions of coupled gain do not always show such divergences.

An 'X-banded' Tidbinbilla interferometer

NASA Technical Reports Server (NTRS)

Batty, Michael J.; Gardyne, R. G.; Gay, G. J.; Jauncy, David L.; Gulkis, S.; Kirk, A.

1986-01-01

The recent upgrading of the Tidbinbilla two-element interferometer to simultaneous S-band (2.3 GHz) and X-band (8.4 GHz) operation has provided a powerful new astronomical facility for weak radio source measurement in the Southern Hemisphere. The new X-band system has a minimum fringe spacing of 38 arcsec, and about the same positional measurement capability (approximately 2 arcsec) and sensitivity (1 s rms noise of 10 mJy) as the previous S-band system. However, the far lower confusion limit will allow detection and accurate positional measurements for sources as weak as a few millijanskys. This capability will be invaluable for observations of radio stars, X-ray sources and other weak, compact radio sources.

Evaluating nuclear physics inputs in core-collapse supernova models

NASA Astrophysics Data System (ADS)

Lentz, E.; Hix, W. R.; Baird, M. L.; Messer, O. E. B.; Mezzacappa, A.

Core-collapse supernova models depend on the details of the nuclear and weak interaction physics inputs just as they depend on the details of the macroscopic physics (transport, hydrodynamics, etc.), numerical methods, and progenitors. We present preliminary results from our ongoing comparison studies of nuclear and weak interaction physics inputs to core collapse supernova models using the spherically-symmetric, general relativistic, neutrino radiation hydrodynamics code Agile-Boltztran. We focus on comparisons of the effects of the nuclear EoS and the effects of improving the opacities, particularly neutrino--nucleon interactions.

The Kardar-Parisi-Zhang Equation as Scaling Limit of Weakly Asymmetric Interacting Brownian Motions

NASA Astrophysics Data System (ADS)

Diehl, Joscha; Gubinelli, Massimiliano; Perkowski, Nicolas

2017-09-01

We consider a system of infinitely many interacting Brownian motions that models the height of a one-dimensional interface between two bulk phases. We prove that the large scale fluctuations of the system are well approximated by the solution to the KPZ equation provided the microscopic interaction is weakly asymmetric. The proof is based on the martingale solutions of Gonçalves and Jara (Arch Ration Mech Anal 212(2):597-644, 2014) and the corresponding uniqueness result of Gubinelli and Perkowski (Energy solutions of KPZ are unique, 2015).

Kelvin-wave cascade in the vortex filament model

NASA Astrophysics Data System (ADS)

Baggaley, Andrew W.; Laurie, Jason

2014-01-01

The small-scale energy-transfer mechanism in zero-temperature superfluid turbulence of helium-4 is still a widely debated topic. Currently, the main hypothesis is that weakly nonlinear interacting Kelvin waves (KWs) transfer energy to sufficiently small scales such that energy is dissipated as heat via phonon excitations. Theoretically, there are at least two proposed theories for Kelvin-wave interactions. We perform the most comprehensive numerical simulation of weakly nonlinear interacting KWs to date and show, using a specially designed numerical algorithm incorporating the full Biot-Savart equation, that our results are consistent with the nonlocal six-wave KW interactions as proposed by L'vov and Nazarenko.

Interaction of In(I) and Tl(I) cations with 2,6-diaryl pyridine ligands: cation encapsulation within a very weakly interacting N/arene host environment.

PubMed

Mansaray, Hassanatu B; Tang, Christina Y; Vidovic, Dragoslav; Thompson, Amber L; Aldridge, Simon

2012-12-03

The interaction of 2,6-dimesitylpyridine with Tl(I) and In(I) cations has been investigated with a view to developing tractable molecular M(I) compounds which are soluble in organic media. In stark contrast to isosteric and isoelectronic terphenyl systems, complexes featuring the [(2,6-Mes(2)py)M](+) fragment feature very weak metal-ligand interactions in the solid state, as revealed by M-N distances of the order of 2.45 Å (M = In) and 2.64 Å (M = Tl). While additional weak π interactions are observed with arene solvate molecules in these systems, the related 2:1 complex [(2,6-Mes(2)py)(2)In][BAr(f)(4)] features an In(I) center wholly encapsulated by the bulky Mes(2)py donors, and even longer In-N distances [2.586(6) and 2.662(5) Å]. These contacts are about 0.5 Å greater than the sum of the respective covalent radii (2.13 Å) and provide evidence for an effectively "naked" In(I) cation stabilized to a minor extent by orbital interactions.

Weak Bond-Based Injectable and Stimuli Responsive Hydrogels for Biomedical Applications

PubMed Central

Ding, Xiaochu; Wang, Yadong

2017-01-01

Here we define hydrogels crosslinked by weak bonds as physical hydrogels. They possess unique features including reversible bonding, shear thinning and stimuli-responsiveness. Unlike covalently crosslinked hydrogels, physical hydrogels do not require triggers to initiate chemical reactions for in situ gelation. The drug can be fully loaded in a pre-formed hydrogel for delivery with minimal cargo leakage during injection. These benefits make physical hydrogels useful as delivery vehicles for applications in biomedical engineering. This review focuses on recent advances of physical hydrogels crosslinked by weak bonds: hydrogen bonds, ionic interactions, host-guest chemistry, hydrophobic interactions, coordination bonds and π-π stacking interactions. Understanding the principles and the state of the art of gels with these dynamic bonds may give rise to breakthroughs in many biomedical research areas including drug delivery and tissue engineering. PMID:29062484

Architecture of the hydrophobic and hydrophilic layers as found from crystal structure analysis of N-benzyl-N,N-dimethylalkylammonium bromides.

PubMed

Hodorowicz, Maciej; Stadnicka, Katarzyna; Czapkiewicz, Jan

2005-10-01

The molecular and crystal structures of N-benzyl-N,N-dimethylalkylammonium bromides monohydrates with chain length n=8-10 have been determined. The crystals are isostructural with the N-benzyl-N,N-dimethyldodecylammonium bromide monohydrate. The structures consist of alternated hydrophobic and hydrophilic layers perpendicular to [001]. The attraction between N+ of the cation head-groups and Br- anions is achieved through weak C_H...Br interactions. The water molecules incorporated into ionic layers are donors for two O_H...Br hydrogen bonds and serve as the acceptors in two weak interactions of C_H...O type. The methylene chains, with the slightly curved general shape, have the extended all-trans conformation. The mutual packing of the chains in the hydrophobic layers is governed by weak C_H...pi interactions.

Microwave Spectrum of the Isopropanol-Water Dimer

NASA Astrophysics Data System (ADS)

Mead, Griffin; Finneran, Ian A.; Carroll, Brandon; Blake, Geoffrey

2016-06-01

Microwave spectroscopy provides a unique opportunity to study model non-covalent interactions. Of particular interest is the hydrogen bonding of water, whose various molecular properties are influenced by both strong and weak intermolecular forces. More specifically, measuring the hydrogen bonded structures of water-alcohol dimers investigates both strong (OH ··· OH) and weak (CH ··· OH) hydrogen bond interactions. Recently, we have measured the pure rotational spectrum of the isopropanol-water dimer using chirped-pulse Fourier transform microwave spectroscopy (CP-FTMW) between 8-18 GHz. Here, we present the spectrum of this dimer and elaborate on the structure's strong and weak hydrogen bonding.

Magnetic Reconnection in the Solar Chromosphere

NASA Astrophysics Data System (ADS)

Lukin, Vyacheslav S.; Ni, Lei; Murphy, Nicholas Arnold

2017-08-01

We report on the most recent efforts to accurately and self-consistently model magnetic reconnection processes in the context of the solar chromosphere. The solar chromosphere is a notoriously complex and highly dynamic boundary layer of the solar atmosphere where local variations in the plasma parameters can be of the order of the mean values. At the same time, the interdependence of the physical processes such as magnetic field evolution, local and global energy transfer between internal and electromagnetic plasma energy, radiation transport, plasma reactivity, and dissipation mechanisms make it a particularly difficult system to self-consistently model and understand. Several recent studies have focused on the micro-physics of multi-fluid magnetic reconnection at magnetic nulls in the weakly ionized plasma environment of the lower chromosphere[1-3]. Here, we extend the previous work by considering a range of spatial scales and magnetic field strengths in a configuration with component magnetic reconnection, i.e., for magnetic reconnection with a guide field. We show that in all cases the non-equilibrium reactivity of the plasma and the dynamic interaction among the plasma processes play important roles in determining the structure of the reconnection region. We also speculate as to the possible observables of chromospheric magnetic reconnection and the likely plasma conditions required for generation of Ellerman and IRIS bombs.[1] Leake, Lukin, Linton, and Meier, “Multi-fluid simulations of chromospheric magnetic reconnection in a weakly ionized reacting plasma,” ApJ 760 (2012).[2] Leake, Lukin, and Linton, “Magnetic reconnection in a weakly ionized plasma,” PoP 20 (2013).[3] Murphy and Lukin, “Asymmetric magnetic reconnection in weakly ionized chromospheric plasmas,” ApJ 805 (2015).[*Any opinion, findings, and conclusions or recommendations expressed in this material are those of the authors and do not necessarily reflect the views of the National Science Foundation.

Time-Reversal Symmetry-Breaking Nematic Insulators near Quantum Spin Hall Phase Transitions.

PubMed

Xue, Fei; MacDonald, A H

2018-05-04

We study the phase diagram of a model quantum spin Hall system as a function of band inversion and band-coupling strength, demonstrating that when band hybridization is weak, an interaction-induced nematic insulator state emerges over a wide range of band inversion. This property is a consequence of the long-range Coulomb interaction, which favors interband phase coherence that is weakly dependent on momentum and therefore frustrated by the single-particle Hamiltonian at the band inversion point. For weak band hybridization, interactions convert the continuous gap closing topological phase transition at inversion into a pair of continuous phase transitions bounding a state with broken time-reversal and rotational symmetries. At intermediate band hybridization, the topological phase transition proceeds instead via a quantum anomalous Hall insulator state, whereas at strong hybridization interactions play no role. We comment on the implications of our findings for InAs/GaSb and HgTe/CdTe quantum spin Hall systems.

Time-Reversal Symmetry-Breaking Nematic Insulators near Quantum Spin Hall Phase Transitions

NASA Astrophysics Data System (ADS)

Xue, Fei; MacDonald, A. H.

2018-05-01

We study the phase diagram of a model quantum spin Hall system as a function of band inversion and band-coupling strength, demonstrating that when band hybridization is weak, an interaction-induced nematic insulator state emerges over a wide range of band inversion. This property is a consequence of the long-range Coulomb interaction, which favors interband phase coherence that is weakly dependent on momentum and therefore frustrated by the single-particle Hamiltonian at the band inversion point. For weak band hybridization, interactions convert the continuous gap closing topological phase transition at inversion into a pair of continuous phase transitions bounding a state with broken time-reversal and rotational symmetries. At intermediate band hybridization, the topological phase transition proceeds instead via a quantum anomalous Hall insulator state, whereas at strong hybridization interactions play no role. We comment on the implications of our findings for InAs/GaSb and HgTe/CdTe quantum spin Hall systems.

Are pain location and physical examinations useful in locating a tear site of the rotator cuff?

PubMed

Itoi, Eiji; Minagawa, Hiroshi; Yamamoto, Nobuyuki; Seki, Nobutoshi; Abe, Hidekazu

2006-02-01

Pain is the most common symptom of patients with rotator cuff tendinopathy, but little is known about the relationship between the site of pain and the site of cuff pathologic lesions. Also, accuracies of physical examinations used to locate a tear by assessing the muscle strength seem to be affected by the threshold for muscle weakness, but no studies have been reported regarding the efficacies of physical examinations in reference to their threshold. Pain location is useful in locating a tear site. Efficacies of physical examinations to evaluate the function of the cuff muscles depend on the threshold for muscle weakness. Case series; Level of evidence, 4. The authors retrospectively reviewed the clinical charts of 160 shoulders of 149 patients (mean age, 53 years) with either rotator cuff tears (140 shoulders) or cuff tendinitis (20 shoulders). The location of pain was recorded on a standardized form with 6 different areas. The diagnostic accuracies of the following tests were assessed with various thresholds for muscle weakness: supraspinatus test, the external rotation strength test, and the lift-off test. Lateral and anterior portions of the shoulder were the most common sites of pain regardless of existence of tear or tear location. The supraspinatus test was most accurate when it was assessed to have positive results with the muscle strength less than manual muscle testing grade 5, whereas the lift-off test was most accurate with a threshold less than grade 3. The external rotation strength test was most accurate with a threshold of less than grade 4+. The authors conclude that pain location is not useful in locating the site of a tear, whereas the physical examinations aiming to locate the tear site are clinically useful when assessed to have positive results with appropriate threshold for muscle weakness.

DOA Estimation for Underwater Wideband Weak Targets Based on Coherent Signal Subspace and Compressed Sensing.

PubMed

Li, Jun; Lin, Qiu-Hua; Kang, Chun-Yu; Wang, Kai; Yang, Xiu-Ting

2018-03-18

Direction of arrival (DOA) estimation is the basis for underwater target localization and tracking using towed line array sonar devices. A method of DOA estimation for underwater wideband weak targets based on coherent signal subspace (CSS) processing and compressed sensing (CS) theory is proposed. Under the CSS processing framework, wideband frequency focusing is accompanied by a two-sided correlation transformation, allowing the DOA of underwater wideband targets to be estimated based on the spatial sparsity of the targets and the compressed sensing reconstruction algorithm. Through analysis and processing of simulation data and marine trial data, it is shown that this method can accomplish the DOA estimation of underwater wideband weak targets. Results also show that this method can considerably improve the spatial spectrum of weak target signals, enhancing the ability to detect them. It can solve the problems of low directional resolution and unreliable weak-target detection in traditional beamforming technology. Compared with the conventional minimum variance distortionless response beamformers (MVDR), this method has many advantages, such as higher directional resolution, wider detection range, fewer required snapshots and more accurate detection for weak targets.

Accuracy and content of medical student midclerkship self-evaluations.

PubMed

Torres, Madeline B; Cochran, Amalia

2016-06-01

Midclerkship self-evaluations (MCSEs) require students to reflect on their knowledge, skills, and behaviors. We hypothesized that MCSEs would be consistent with supervisor midpoint evaluations during a surgical clerkship. MCSEs of 153 students who completed our surgery clerkship in 2 academic years were compared with supervisor midclerkship evaluations. The quantitative domains of the MCSE and supervisor evaluation were compared for accuracy. Identified areas of strengths and weakness were evaluated for thematic consistency. Student MCSE scoring was accurate across evaluated domains most of the time; when students were inaccurate, they tended to underrate themselves. Students and supervisors most often identified cognitive skills as areas for improvement and noncognitive skills predominated as student strengths. Medical students can accurately identify their strengths and weaknesses in the context of an MCSE. Based on these findings, knowledge acquisition and application by medical students in the clinical setting should be emphasized in undergraduate medical education. Copyright © 2016 Elsevier Inc. All rights reserved.

1-[6-(1H-Indol-1-yl)pyridin-2-yl]-1H-indole-3-carbaldehyde.

PubMed

Ramathilagam, C; Umarani, P R; Venkatesan, N; Rajakumar, P; Gunasekaran, B; Manivannan, V

2014-02-01

In the title compound, C22H15N3O, the dihedral angle between the two indole units is 33.72 (3)°. The mol-ecular structure features a weak intra-molecular C-H⋯N inter-action. In the crystal, weak C-H⋯O and C-H⋯π inter-actions, forming a two-dimensional network parallel to the bc plane.

Challenges and dreams: physics of weak interactions essential to life.

PubMed

Chien, Peter; Gierasch, Lila M

2014-11-05

Biological systems display stunning capacities to self-organize. Moreover, their subcellular architectures are dynamic and responsive to changing needs and conditions. Key to these properties are manifold weak "quinary" interactions that have evolved to create specific spatial networks of macromolecules. These specific arrangements of molecules enable signals to be propagated over distances much greater than molecular dimensions, create phase separations that define functional regions in cells, and amplify cellular responses to changes in their environments. A major challenge is to develop biochemical tools and physical models to describe the panoply of weak interactions operating in cells. We also need better approaches to measure the biases in the spatial distributions of cellular macromolecules that result from the integrated action of multiple weak interactions. Partnerships between cell biologists, biochemists, and physicists are required to deploy these methods. Together these approaches will help us realize the dream of understanding the biological "glue" that sustains life at a molecular and cellular level. © 2014 Chien and Gierasch. This article is distributed by The American Society for Cell Biology under license from the author(s). Two months after publication it is available to the public under an Attribution–Noncommercial–Share Alike 3.0 Unported Creative Commons License (http://creativecommons.org/licenses/by-nc-sa/3.0).

Adaptation of the TH Epsilon Mu formalism for the analysis of the equivalence principle in the presence of the weak and electroweak interaction

NASA Technical Reports Server (NTRS)

Fennelly, A. J.

1981-01-01

The TH epsilon mu formalism, used in analyzing equivalence principle experiments of metric and nonmetric gravity theories, is adapted to the description of the electroweak interaction using the Weinberg-Salam unified SU(2) x U(1) model. The use of the TH epsilon mu formalism is thereby extended to the weak interactions, showing how the gravitational field affects W sub mu (+ or -1) and Z sub mu (0) boson propagation and the rates of interactions mediated by them. The possibility of a similar extension to the strong interactions via SU(5) grand unified theories is briefly discussed. Also, using the effects of the potentials on the baryon and lepton wave functions, the effects of gravity on transition mediated in high-A atoms which are electromagnetically forbidden. Three possible experiments to test the equivalence principle in the presence of the weak interactions, which are technologically feasible, are then briefly outline: (1) K-capture by the FE nucleus (counting the emitted X-ray); (2) forbidden absorption transitions in high-A atoms' vapor; and (3) counting the relative Beta-decay rates in a suitable alpha-beta decay chain, assuming the strong interactions obey the equivalence principle.

Search for the standard model Higgs boson in $$l\

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Dikai

2013-01-01

Humans have always attempted to understand the mystery of Nature, and more recently physicists have established theories to describe the observed phenomena. The most recent theory is a gauge quantum field theory framework, called Standard Model (SM), which proposes a model comprised of elementary matter particles and interaction particles which are fundamental force carriers in the most unified way. The Standard Model contains the internal symmetries of the unitary product group SU(3) c ⓍSU(2) L Ⓧ U(1) Y , describes the electromagnetic, weak and strong interactions; the model also describes how quarks interact with each other through all of thesemore » three interactions, how leptons interact with each other through electromagnetic and weak forces, and how force carriers mediate the fundamental interactions.« less

Dual fermionic variables and renormalization group approach to junctions of strongly interacting quantum wires

NASA Astrophysics Data System (ADS)

Giuliano, Domenico; Nava, Andrea

2015-09-01

Making a combined use of bosonization and fermionization techniques, we build nonlocal transformations between dual fermion operators, describing junctions of strongly interacting spinful one-dimensional quantum wires. Our approach allows for trading strongly interacting (in the original coordinates) fermionic Hamiltonians for weakly interacting (in the dual coordinates) ones. It enables us to generalize to the strongly interacting regime the fermionic renormalization group approach to weakly interacting junctions. As a result, on one hand, we are able to pertinently complement the information about the phase diagram of the junction obtained within the bosonization approach; on the other hand, we map out the full crossover of the conductance tensors between any two fixed points in the phase diagram connected by a renormalization group trajectory.

Microscopic investigation of the weakly correlated noncentrosymmetric superconductor SrAuSi3

NASA Astrophysics Data System (ADS)

Barbero, N.; Biswas, P. K.; Isobe, M.; Amato, A.; Morenzoni, E.; Hillier, A. D.; Ott, H.-R.; Mesot, J.; Shiroka, T.

2018-01-01

SrAuSi3 is a noncentrosymmetric superconductor (NCS) with Tc=1.54 K, which to date has been studied only via macroscopic techniques. By combining nuclear-magnetic-resonance and muon-spin-rotation measurements, we investigate both the normal and the superconducting phase of SrAuSi3 at a local level. In the normal phase, our data indicate a standard metallic behavior with weak electron correlations and a Korringa constant Sexp=1.31 ×10-5 sK. The latter, twice the theoretical value, can be justified by the Moriya theory of exchange enhancement. In the superconducting phase, the material exhibits conventional BCS-type superconductivity with a weak-coupling s -wave pairing, a gap value Δ (0 )=0.213 (2 ) meV, and a magnetic penetration depth λ (0 )=398 (2 ) nm. The experimental proof of weak correlations in SrAuSi3 implies that correlation effects can be decoupled from those of antisymmetric spin-orbit coupling, thus enabling accurate band-structure calculations in the weakly correlated NCSs.

$$\\chi$$EFT studies of few-nucleon systems: a status report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schiavilla, Rocco

2016-06-01

A status report onmore » $$\\chi$$EFT studies of few-nucleon electroweak structure and dynamics is provided, including electromagnetic elastic form factors of few-nucleon systems, the $pp$ weak fusion and muon weak captures on deuteron and $^3$He, and a number of parity-violating processes induced by hadronic weak interactions.« less

Individual versus group decision making: Jurors’ reliance on central and peripheral information to evaluate expert testimony

PubMed Central

Bottoms, Bette L.; Peter-Hagene, Liana C.

2017-01-01

To investigate dual-process persuasion theories in the context of group decision making, we studied low and high need-for-cognition (NFC) participants within a mock trial study. Participants considered plaintiff and defense expert scientific testimony that varied in argument strength. All participants heard a cross-examination of the experts focusing on peripheral information (e.g., credentials) about the expert, but half were randomly assigned to also hear central information highlighting flaws in the expert’s message (e.g., quality of the research presented by the expert). Participants rendered pre- and post-group-deliberation verdicts, which were considered “scientifically accurate” if the verdicts reflected the strong (versus weak) expert message, and “scientifically inaccurate” if they reflected the weak (versus strong) expert message. For individual participants, we replicated studies testing classic persuasion theories: Factors promoting reliance on central information (i.e., central cross-examination, high NFC) improved verdict accuracy because they sensitized individual participants to the quality discrepancy between the experts’ messages. Interestingly, however, at the group level, the more that scientifically accurate mock jurors discussed peripheral (versus central) information about the experts, the more likely their group was to reach the scientifically accurate verdict. When participants were arguing for the scientifically accurate verdict consistent with the strong expert message, peripheral comments increased their persuasiveness, which made the group more likely to reach the more scientifically accurate verdict. PMID:28931011

Computation of viscous blast wave flowfields

NASA Technical Reports Server (NTRS)

Atwood, Christopher A.

1991-01-01

A method to determine unsteady solutions of the Navier-Stokes equations was developed and applied. The structural finite-volume, approximately factored implicit scheme uses Newton subiterations to obtain the spatially and temporally second-order accurate time history of the interaction of blast-waves with stationary targets. The inviscid flux is evaluated using MacCormack's modified Steger-Warming flux or Roe flux difference splittings with total variation diminishing limiters, while the viscous flux is computed using central differences. The use of implicit boundary conditions in conjunction with a telescoping in time and space method permitted solutions to this strongly unsteady class of problems. Comparisons of numerical, analytical, and experimental results were made in two and three dimensions. These comparisons revealed accurate wave speed resolution with nonoscillatory discontinuity capturing. The purpose of this effort was to address the three-dimensional, viscous blast-wave problem. Test cases were undertaken to reveal these methods' weaknesses in three regimes: (1) viscous-dominated flow; (2) complex unsteady flow; and (3) three-dimensional flow. Comparisons of these computations to analytic and experimental results provided initial validation of the resultant code. Addition details on the numerical method and on the validation can be found in the appendix. Presently, the code is capable of single zone computations with selection of any permutation of solid wall or flow-through boundaries.

Gauge Bosons--The Ties That Bind.

ERIC Educational Resources Information Center

Hill, Christopher T.

1982-01-01

Discusses four basic forces/interactions in nature (strong force, weak force, electromagnetic force and gravity), associated with elementary particles. Focuses on "gauge bosons" (for example, photons), thought to account for strong, weak, and electromagnetic forces. (Author/JN)

An evaluation of Lake States STEMS85.

Treesearch

Margaret R. Holdaway

1986-01-01

An updated version of the Lake States variant of STEMS is evaluated and compared with the previous version. The new version is slightly more accurate and precise. The strengths and weaknesses of this tree growth projection system are also identified.

Combinations of coupled cluster, density functionals, and the random phase approximation for describing static and dynamic correlation, and van der Waals interactions

NASA Astrophysics Data System (ADS)

Garza, Alejandro J.; Bulik, Ireneusz W.; Alencar, Ana G. Sousa; Sun, Jianwei; Perdew, John P.; Scuseria, Gustavo E.

2016-04-01

Contrary to standard coupled cluster doubles (CCD) and Brueckner doubles (BD), singlet-paired analogues of CCD and BD (denoted here as CCD0 and BD0) do not break down when static correlation is present, but neglect substantial amounts of dynamic correlation. In fact, CCD0 and BD0 do not account for any contributions from multielectron excitations involving only same-spin electrons at all. We exploit this feature to add - without introducing double counting, self-interaction, or increase in cost - the missing correlation to these methods via meta-GGA (generalised gradient approximation) density functionals (Tao-Perdew-Staroverov-Scuseria and strongly constrained and appropriately normed). Furthermore, we improve upon these CCD0+DFT blends by invoking range separation: the short- and long-range correlations absent in CCD0/BD0 are evaluated with density functional theory and the direct random phase approximation, respectively. This corrects the description of long-range van der Waals forces. Comprehensive benchmarking shows that the combinations presented here are very accurate for weakly correlated systems, while also providing a reasonable description of strongly correlated problems without resorting to symmetry breaking.

Challenges to Progress in Studies of Climate-Tectonic-Erosion Interactions

NASA Astrophysics Data System (ADS)

Burbank, D. W.

2016-12-01

Attempts to unravel the relative importance of climate and tectonics in modulating topography and erosion should compare relevant data sets at comparable temporal and spatial scales. Given that such data are uncommonly available, how can we compare diverse data sets in a robust fashion? Many erosion-rate studies rely on detrital cosmogenic nuclides. What time scales can such data address, and what landscape conditions do they require to provide accurate representations of long-term erosion rates? To what extent do large-scale, but infrequent erosional events impact long-term rates? Commonly, long-term erosion rates are deduced from thermochronologic data. What types of data are needed to test for consistency of rates across a given interval or change in rates through time? Similarly, spatial and temporal variability in precipitation or tectonics requires averaging across appropriate scales. How are such data obtained in deforming mountain belts, and how do we assess their reliability? This study describes the character and temporal duration of key variables that are needed to examine climate-tectonic-erosion interactions, explores the strengths and weaknesses of several study areas, and suggests the types of data requirements that will underpin enlightening "tests" of hypotheses related to the mutual impacts of climate, tectonics, and erosion.

Evidence for W=0 pairing in repulsive Hubbard square and hexagonal geometries

NASA Astrophysics Data System (ADS)

Perfetto, Enrico; Stefanucci, Gianluca; Callegari, Agnese; Cini, Michele

2004-08-01

Square and hexagonal lattices with purely repulsive on-site interactions on all sites and appropriate fillings show W=0 pairing, and the effective attractive interaction is due to a symmetry driven correlation effect; the W=0 pairs are two-body singlet eigenstates of the Hamiltonian with vanishing on-site repulsion. We can set up gedanken experiments with these bound pairs. Chains of CuO 4 units connected by weak links provide a test case which displays bound pair hopping and superconducting flux quantization (SFQ). Focusing on the low-energy sector, one obtains an accurate description in terms of an effective hard-core boson Hamiltonian which naturally describes itinerant pairs and SFQ in mesoscopic rings. For the numerical calculations, we take advantage of a recently proposed exact spin-disentangled diagonalization technique which can be generally applied to many-fermion problems and drastically reduces the size of the matrices to be handled. Remarkably, the very same pairing mechanism also works neatly with the wrapped honeycomb lattice, suitable for armchair carbon nanotubes; the binding energy of W=0 pairs depends strongly on the filling and decreases towards a small but non-zero value in the graphite limit.

Catching the role of anisotropic electronic distribution and charge transfer in halogen bonded complexes of noble gases

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bartocci, Alessio; Cappelletti, David; Pirani, Fernando

2015-05-14

The systems studied in this work are gas-phase weakly bound adducts of the noble-gas (Ng) atoms with CCl{sub 4} and CF{sub 4}. Their investigation was motivated by the widespread current interest for the intermolecular halogen bonding (XB), a structural motif recognized to play a role in fields ranging from elementary processes to biochemistry. The simulation of the static and dynamic behaviors of complex systems featuring XB requires the formulation of reliable and accurate model potentials, whose development relies on the detailed characterization of strength and nature of the interactions occurring in simple exemplary halogenated systems. We thus selected the prototypicalmore » Ng-CCl{sub 4} and Ng-CF{sub 4} and performed high-resolution molecular beam scattering experiments to measure the absolute scale of their intermolecular potentials, with high sensitivity. In general, we expected to probe typical van der Waals interactions, consisting of a combination of size (exchange) repulsion with dispersion/induction attraction. For the He/Ne-CF{sub 4}, the analysis of the glory quantum interference pattern, observable in the velocity dependence of the integral cross section, confirmed indeed this expectation. On the other hand, for the He/Ne/Ar-CCl{sub 4}, the scattering data unravelled much deeper potential wells, particularly for certain configurations of the interacting partners. The experimental data can be properly reproduced only including a shifting of the repulsive wall at shorter distances, accompanied by an increased role of the dispersion attraction, and an additional short-range stabilization component. To put these findings on a firmer ground, we performed, for selected geometries of the interacting complexes, accurate theoretical calculations aimed to evaluate the intermolecular interaction and the effects of the complex formation on the electron charge density of the constituting moieties. It was thus ascertained that the adjustments of the potential suggested by the analysis of the experiments actually reflect two chemically meaningful contributions, namely, a stabilizing interaction arising from the anisotropy of the charge distribution around the Cl atom in CCl{sub 4} and a stereospecific electron transfer that occurs at the intermolecular distances mainly probed by the experiments. Our model calculations suggest that the largest effect is for the vertex geometry of CCl{sub 4} while other geometries appear to play a minor to negligible role.« less

Designing future dark energy space missions. II. Photometric redshift of space weak lensing optimized surveys

NASA Astrophysics Data System (ADS)

Jouvel, S.; Kneib, J.-P.; Bernstein, G.; Ilbert, O.; Jelinsky, P.; Milliard, B.; Ealet, A.; Schimd, C.; Dahlen, T.; Arnouts, S.

2011-08-01

Context. With the discovery of the accelerated expansion of the universe, different observational probes have been proposed to investigate the presence of dark energy, including possible modifications to the gravitation laws by accurately measuring the expansion of the Universe and the growth of structures. We need to optimize the return from future dark energy surveys to obtain the best results from these probes. Aims: A high precision weak-lensing analysis requires not an only accurate measurement of galaxy shapes but also a precise and unbiased measurement of galaxy redshifts. The survey strategy has to be defined following both the photometric redshift and shape measurement accuracy. Methods: We define the key properties of the weak-lensing instrument and compute the effective PSF and the overall throughput and sensitivities. We then investigate the impact of the pixel scale on the sampling of the effective PSF, and place upper limits on the pixel scale. We then define the survey strategy computing the survey area including in particular both the Galactic absorption and Zodiacal light variation accross the sky. Using the Le Phare photometric redshift code and realistic galaxy mock catalog, we investigate the properties of different filter-sets and the importance of the u-band photometry quality to optimize the photometric redshift and the dark energy figure of merit (FoM). Results: Using the predicted photometric redshift quality, simple shape measurement requirements, and a proper sky model, we explore what could be an optimal weak-lensing dark energy mission based on FoM calculation. We find that we can derive the most accurate the photometric redshifts for the bulk of the faint galaxy population when filters have a resolution ℛ ~ 3.2. We show that an optimal mission would survey the sky through eight filters using two cameras (visible and near infrared). Assuming a five-year mission duration, a mirror size of 1.5 m and a 0.5 deg2 FOV with a visible pixel scale of 0.15'', we found that a homogeneous survey reaching a survey population of IAB = 25.6 (10σ) with a sky coverage of ~11 000 deg2 maximizes the weak lensing FoM. The effective number density of galaxies used for WL is then ~45 gal/arcmin2, which is at least a factor of two higher than ground-based surveys. Conclusions: This study demonstrates that a full account of the observational strategy is required to properly optimize the instrument parameters and maximize the FoM of the future weak-lensing space dark energy mission.

Scientific and personal recollections of Roberto Petronzio

NASA Astrophysics Data System (ADS)

Parisi, Giorgio

2018-03-01

This paper aims to recall some of the main contributions of Roberto Petronzio to physics, with a particular regard to the period we have been working together. His seminal contributions cover an extremely wide range of topics: the foundation of the perturbative approach to QCD, various aspects of weak interaction theory, from basic questions (e.g. the mass of the Higgs) to lattice weak interaction, lattice QCD from the beginning to most recent computations.

Heisenberg scaling with weak measurement: a quantum state discrimination point of view

DTIC Science & Technology

2015-03-18

a quantum state discrimination point of view. The Heisenberg scaling of the photon number for the precision of the interaction parameter between...coherent light and a spin one-half particle (or pseudo-spin) has a simple interpretation in terms of the interaction rotating the quantum state to an...release; distribution is unlimited. Heisenberg scaling with weak measurement: a quantum state discrimination point of view The views, opinions and/or

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tannenbaum, Michael J.

The search for the left-handed W± bosons, the proposed quanta of the weak interaction, and the Higgs boson, which spontaneously breaks the symmetry of unification of electromagnetic and weak interactions, has driven elementary-particle physics research from the time that I entered college to the present and has led to many unexpected and exciting discoveries which revolutionized our view of subnuclear physics over that period. In this article I describe how these searches and discoveries have intertwined with my own career.

Weak Fault Feature Extraction of Rolling Bearings Based on an Improved Kurtogram.

PubMed

Chen, Xianglong; Feng, Fuzhou; Zhang, Bingzhi

2016-09-13

Kurtograms have been verified to be an efficient tool in bearing fault detection and diagnosis because of their superiority in extracting transient features. However, the short-time Fourier Transform is insufficient in time-frequency analysis and kurtosis is deficient in detecting cyclic transients. Those factors weaken the performance of the original kurtogram in extracting weak fault features. Correlated Kurtosis (CK) is then designed, as a more effective solution, in detecting cyclic transients. Redundant Second Generation Wavelet Packet Transform (RSGWPT) is deemed to be effective in capturing more detailed local time-frequency description of the signal, and restricting the frequency aliasing components of the analysis results. The authors in this manuscript, combining the CK with the RSGWPT, propose an improved kurtogram to extract weak fault features from bearing vibration signals. The analysis of simulation signals and real application cases demonstrate that the proposed method is relatively more accurate and effective in extracting weak fault features.

Optical rotation based chirality detection of enantiomers via weak measurement in frequency domain

NASA Astrophysics Data System (ADS)

Li, Dongmei; Guan, Tian; Liu, Fang; Yang, Anping; He, Yonghong; He, Qinghua; Shen, Zhiyuan; Xin, Meiguo

2018-05-01

A transmission optical rotation detection scheme based on a weak measurement was proposed for the chirality detection of enantiomers. In this transmission weak measurement system in the frequency domain, the optical activity of the chiral liquid sample was estimated with the central wavelength shift, by modifying the preselected polarization state with the optical rotation (OR). The central wavelength shift of output spectra is sensitive to the OR angle but immune to the interference of the refractive index change caused by measuring circumstances. Two isomers of chiral amino acid acquired opposite responses with this system, and a resolution of 2.17 × 10-9 mol/ml for Proline detection could be obtained. Such a resolution is about 2 orders of magnitude higher than that of common methods, which shows a high sensitivity. This proposed weak measurement scenario suggested an approach to polarimetry and provided a way to accurately assess molecular chirality.

Integrated analysis of energy transfers in elastic-wave turbulence.

PubMed

Yokoyama, Naoto; Takaoka, Masanori

2017-08-01

In elastic-wave turbulence, strong turbulence appears in small wave numbers while weak turbulence does in large wave numbers. Energy transfers in the coexistence of these turbulent states are numerically investigated in both the Fourier space and the real space. An analytical expression of a detailed energy balance reveals from which mode to which mode energy is transferred in the triad interaction. Stretching energy excited by external force is transferred nonlocally and intermittently to large wave numbers as the kinetic energy in the strong turbulence. In the weak turbulence, the resonant interactions according to the weak turbulence theory produce cascading net energy transfer to large wave numbers. Because the system's nonlinearity shows strong temporal intermittency, the energy transfers are investigated at active and moderate phases separately. The nonlocal interactions in the Fourier space are characterized by the intermittent bundles of fibrous structures in the real space.

Microcanonical fluctuations of the condensate in weakly interacting Bose gases

DOE Office of Scientific and Technical Information (OSTI.GOV)

Idziaszek, Zbigniew

2005-05-15

We study fluctuations of the number of Bose condensed atoms in a weakly interacting homogeneous and trapped gases. For a homogeneous system we apply the particle-number-conserving formulation of the Bogoliubov theory and calculate the condensate fluctuations within the canonical and the microcanonical ensembles. We demonstrate that, at least in the low-temperature regime, predictions of the particle-number-conserving and traditional, nonconserving theory are identical, and lead to the anomalous scaling of fluctuations. Furthermore, the microcanonical fluctuations differ from the canonical ones by a quantity which scales normally in the number of particles, thus predictions of both ensembles are equivalent in the thermodynamicmore » limit. We observe a similar behavior for a weakly interacting gas in a harmonic trap. This is in contrast to the trapped, ideal gas, where microcanonical and canonical fluctuations are different in the thermodynamic limit.« less

Designing perturbative metamaterials from discrete models.

PubMed

Matlack, Kathryn H; Serra-Garcia, Marc; Palermo, Antonio; Huber, Sebastian D; Daraio, Chiara

2018-04-01

Identifying material geometries that lead to metamaterials with desired functionalities presents a challenge for the field. Discrete, or reduced-order, models provide a concise description of complex phenomena, such as negative refraction, or topological surface states; therefore, the combination of geometric building blocks to replicate discrete models presenting the desired features represents a promising approach. However, there is no reliable way to solve such an inverse problem. Here, we introduce 'perturbative metamaterials', a class of metamaterials consisting of weakly interacting unit cells. The weak interaction allows us to associate each element of the discrete model with individual geometric features of the metamaterial, thereby enabling a systematic design process. We demonstrate our approach by designing two-dimensional elastic metamaterials that realize Veselago lenses, zero-dispersion bands and topological surface phonons. While our selected examples are within the mechanical domain, the same design principle can be applied to acoustic, thermal and photonic metamaterials composed of weakly interacting unit cells.

Studies of HZE particle interactions and transport for space radiation protection purposes

NASA Technical Reports Server (NTRS)

Townsend, Lawrence W.; Wilson, John W.; Schimmerling, Walter; Wong, Mervyn

1987-01-01

The main emphasis is on developing general methods for accurately predicting high-energy heavy ion (HZE) particle interactions and transport for use by researchers in mission planning studies, in evaluating astronaut self-shielding factors, and in spacecraft shield design and optimization studies. The two research tasks are: (1) to develop computationally fast and accurate solutions to the Boltzmann (transport) equation; and (2) to develop accurate HZE interaction models, from fundamental physical considerations, for use as inputs into these transport codes. Accurate solutions to the HZE transport problem have been formulated through a combination of analytical and numerical techniques. In addition, theoretical models for the input interaction parameters are under development: stopping powers, nuclear absorption cross sections, and fragmentation parameters.

Effect of flexibility on the growth of concentration fluctuations in a suspension of sedimenting fibers: Particle simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Manikantan, Harishankar; Saintillan, David

2016-01-15

Three-dimensional numerical simulations are performed to study the stability of a sedimenting suspension of weakly flexible fibers. It is well known that a suspension of rigid rods sedimenting under gravity at low Reynolds number is unstable to concentration fluctuations owing to hydrodynamic interactions. Flexible fibers, however, reorient while settling and even weak flexibility can alter their collective dynamics. In our recent work [Manikantan et al., “The instability of a sedimenting suspension of weakly flexible fibres,” J. Fluid Mech. 756, 935–964 (2014)], we developed a mean-field theory to predict the linear stability of such a system. Here, we verify these predictionsmore » using accurate and efficient particle simulations based on a slender-body model. We also demonstrate the mechanisms by which flexibility-induced reorientation alters suspension microstructure, and through it, its stability. Specifically, we first show that the anisotropy of the base state in the case of a suspension of flexible fibers has a destabilizing effect compared to a suspension of rigid rods. Second, a conflicting effect of flexibility is also shown to suppress particle clustering and slow down the growth of the instability. The relative magnitude of filament flexibility and rotational Brownian motion dictates which effect dominates, and our simulations qualitatively follow theoretically predicted trends. The mechanism for either effects is tied to the flexibility-induced reorientation of particles, which we illustrate using velocity and orientation statistics from our simulations. Finally, we also show that, in the case of an initially homogeneous and isotropic suspension, flexibility always acts to suppress the growth of the instability.« less

Literary Reading Activities of Good and Weak Students: A Think Aloud Study

ERIC Educational Resources Information Center

Janssen, Tanja; Braaksma, Martine; Rijlaarsdam, Gert

2006-01-01

In this study we examined how good and weak students of literature interact with short literary stories. We focused on differences in the use of cognitive and affective reading activities, and in the extent to which good and weak students adapt their activities to (parts of) the story they are reading. 19 Dutch tenth-grade students from 8 classes…

Landau instability and mobility edges of the interacting one-dimensional Bose gas in weak random potentials

NASA Astrophysics Data System (ADS)

Cherny, Alexander Yu; Caux, Jean-Sébastien; Brand, Joachim

2018-01-01

We study the frictional force exerted on the trapped, interacting 1D Bose gas under the influence of a moving random potential. Specifically we consider weak potentials generated by optical speckle patterns with finite correlation length. We show that repulsive interactions between bosons lead to a superfluid response and suppression of frictional force, which can inhibit the onset of Anderson localisation. We perform a quantitative analysis of the Landau instability based on the dynamic structure factor of the integrable Lieb-Liniger model and demonstrate the existence of effective mobility edges.

Weak Interaction Models with New Quarks and Right-handed Currents

DOE R&D Accomplishments Database

Wilczek, F. A.; Zee, A.; Kingsley, R. L.; Treiman, S. B.

1975-06-01

We discuss various weak interaction issues for a general class of models within the SU(2) x U(1) gauge theory framework, with special emphasis on the effects of right-handed, charged currents and of quarks bearing new quantum numbers. In particular we consider the restrictions on model building which are imposed by the small KL - KS mass difference and by the .I = = rule; and we classify various possibilities for neutral current interactions and, in the case of heavy mesons with new quantum numbers, various possibilities for mixing effects analogous to KL - KS mixing.

Early Career: The search for weakly interacting dark matter with liquid xenon

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hall, Carter

2017-02-08

We report results from a search for weakly interacting dark matter particles obtained with the LUX experiment. LUX was located at a depth of 4850 feet at the Sanford Underground Research Facility in Lead, South Dakota from 2013 through 2016. It found no evidence for dark matter particle interactions and set new constraints on the properties of such particles for masses between 6 GeV and 100 TeV. The work reported here also characterized the performance of such experiments by developing a new calibration technique based upon a tritium beta decay source.

Weak Interactions

DOE R&D Accomplishments Database

Lee, T. D.

1957-06-01

Experimental results on the non-conservation of parity and charge conservation in weak interactions are reviewed. The two-component theory of the neutrino is discussed. Lepton reactions are examined under the assumption of the law of conservation of leptons and that the neutrino is described by a two- component theory. From the results of this examination, the universal Fermi interactions are analyzed. Although reactions involving the neutrino can be described, the same is not true of reactions which do not involve the lepton, as the discussion of the decay of K mesons and hyperons shows. The question of the invariance of time reversal is next examined. (J.S.R.)

Fully- and weakly-nonlinear biperiodic traveling waves in shallow water

NASA Astrophysics Data System (ADS)

Hirakawa, Tomoaki; Okamura, Makoto

2018-04-01

We directly calculate fully nonlinear traveling waves that are periodic in two independent horizontal directions (biperiodic) in shallow water. Based on the Riemann theta function, we also calculate exact periodic solutions to the Kadomtsev-Petviashvili (KP) equation, which can be obtained by assuming weakly-nonlinear, weakly-dispersive, weakly-two-dimensional waves. To clarify how the accuracy of the biperiodic KP solution is affected when some of the KP approximations are not satisfied, we compare the fully- and weakly-nonlinear periodic traveling waves of various wave amplitudes, wave depths, and interaction angles. As the interaction angle θ decreases, the wave frequency and the maximum wave height of the biperiodic KP solution both increase, and the central peak sharpens and grows beyond the height of the corresponding direct numerical solutions, indicating that the biperiodic KP solution cannot qualitatively model direct numerical solutions for θ ≲ 45^\\circ . To remedy the weak two-dimensionality approximation, we apply the correction of Yeh et al (2010 Eur. Phys. J. Spec. Top. 185 97-111) to the biperiodic KP solution, which substantially improves the solution accuracy and results in wave profiles that are indistinguishable from most other cases.

Mesoscale mechanics of twisting carbon nanotube yarns.

PubMed

Mirzaeifar, Reza; Qin, Zhao; Buehler, Markus J

2015-03-12

Fabricating continuous macroscopic carbon nanotube (CNT) yarns with mechanical properties close to individual CNTs remains a major challenge. Spinning CNT fibers and ribbons for enhancing the weak interactions between the nanotubes is a simple and efficient method for fabricating high-strength and tough continuous yarns. Here we investigate the mesoscale mechanics of twisting CNT yarns using full atomistic and coarse grained molecular dynamics simulations, considering concurrent mechanisms at multiple length-scales. To investigate the mechanical response of such a complex structure without losing insights into the molecular mechanism, we applied a multiscale strategy. The full atomistic results are used for training a coarse grained model for studying larger systems consisting of several CNTs. The mesoscopic model parameters are updated as a function of the twist angle, based on the full atomistic results, in order to incorporate the atomistic scale deformation mechanisms in larger scale simulations. By bridging across two length scales, our model is capable of accurately predicting the mechanical behavior of twisted yarns while the atomistic level deformations in individual nanotubes are integrated into the model by updating the parameters. Our results focused on studying a bundle of close packed nanotubes provide novel mechanistic insights into the spinning of CNTs. Our simulations reveal how twisting a bundle of CNTs improves the shear interaction between the nanotubes up to a certain level due to increasing the interaction surface. Furthermore, twisting the bundle weakens the intertube interactions due to excessive deformation in the cross sections of individual CNTs in the bundle.

Weak interactions at high energies. [Lectures, review

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ellis, J.

1978-08-01

Review lectures are presented on the phenomenological implications of the modern spontaneously broken gauge theories of the weak and electromagnetic interactions, and some observations are made about which high energy experiments probe what aspects of gauge theories. Basic quantum chromodynamics phenomenology is covered including momentum dependent effective quark distributions, the transverse momentum cutoff, search for gluons as sources of hadron jets, the status and prospects for the spectroscopy of fundamental fermions and how fermions may be used to probe aspects of the weak and electromagnetic gauge theory, studies of intermediate vector bosons, and miscellaneous possibilities suggested by gauge theories frommore » the Higgs bosons to speculations about proton decay. 187 references. (JFP)« less

Measurement of the Effective Weak Mixing Angle in p p ¯ → Z / γ * → e + e - Events

DOE PAGES

Abazov, V.  M.; Abbott, B.; Acharya, B.  S.; ...

2015-07-22

We present a measurement of the fundamental parameter of the standard model, the weak mixing angle sin 2θ ℓ eff which determines the relative strength of weak and electromagnetic interactions, in pp¯→Z/γ*→e +e - events at a center of mass energy of 1.96 TeV, using data corresponding to 9.7 fb -1 of integrated luminosity collected by the D0 detector at the Fermilab Tevatron. The effective weak mixing angle is extracted from the forward-backward charge asymmetry as a function of the invariant mass around the Z boson pole. The measured value of sin 2θ ℓ eff=0.23147±0.00047 is the most precise measurementmore » from light quark interactions to date, with a precision close to the best LEP and SLD results.« less

Measurement of the Effective Weak Mixing Angle in p p ¯ → Z / γ * → e + e - Events

DOE Office of Scientific and Technical Information (OSTI.GOV)

Abazov, V. M.; Abbott, B.; Acharya, B. S.

2015-07-22

We present a measurement of the fundamental parameter of the standard model, the weak mixing angle sin 2θ ℓ eff which determines the relative strength of weak and electromagnetic interactions, in pp¯→Z/γ*→e +e - events at a center of mass energy of 1.96 TeV, using data corresponding to 9.7 fb -1 of integrated luminosity collected by the D0 detector at the Fermilab Tevatron. The effective weak mixing angle is extracted from the forward-backward charge asymmetry as a function of the invariant mass around the Z boson pole. The measured value of sin 2θ ℓ eff=0.23147±0.00047 is the most precise measurementmore » from light quark interactions to date, with a precision close to the best LEP and SLD results.« less

Phase Diagram of the Bose Hubbard Model with Weak Links

NASA Astrophysics Data System (ADS)

Hettiarachchilage, Kalani; Rousseau, Valy; Tam, Ka-Ming; Moreno, Juana; Jarrell, Mark; Sheehy, Daniel

2012-02-01

We study the ground state phase diagram of strongly interacting ultracold Bose gas in a one-dimensional optical lattice with a tunable weak link, by means of Quantum Monte Carlo simulation. This model contains an on-site repulsive interaction (U) and two different near-neighbor hopping terms, J and t, for the weak link and the remainder of the chain, respectively. We show that by reducing the strength of J, a novel intermediate phase develops which is compressible and non-superfluid. This novel phase is identified as a Normal Bose Liquid (NBL) which does not appear in the phase diagram of the homogeneous bosonic Hubbard model. Further, we find a linear variation of the phase boundary of Normal Bose Liquid (NBL) to SuperFluid (SF) as a function of the strength of the weak link. These results may provide a new path to design advanced atomtronic devices in the future.

Quantum weak turbulence with applications to semiconductor lasers

NASA Astrophysics Data System (ADS)

Lvov, Y. V.; Binder, R.; Newell, A. C.

1998-10-01

Based on a model Hamiltonian appropriate for the description of fermionic systems such as semiconductor lasers, we describe a natural asymptotic closure of the BBGKY hierarchy in complete analogy with that derived for classical weak turbulence. The main features of the interaction Hamiltonian are the inclusion of full Fermi statistics containing Pauli blocking and a simple, phenomenological, uniformly weak two-particle interaction potential equivalent to the static screening approximation. We find a new class of solutions to the quantum kinetic equation which are analogous to the Kolmogorov spectra of hydrodynamics and classical weak turbulence. They involve finite fluxes of particles and energy in momentum space and are particularly relevant for describing the behavior of systems containing sources and sinks. We make a prima facie case that these finite flux solutions can be important in the context of semiconductor lasers and show how they might be used to enhance laser performance.

How well do force fields capture the strength of salt bridges in proteins?

PubMed Central

Ahmed, Mustapha Carab; Papaleo, Elena

2018-01-01

Salt bridges form between pairs of ionisable residues in close proximity and are important interactions in proteins. While salt bridges are known to be important both for protein stability, recognition and regulation, we still do not have fully accurate predictive models to assess the energetic contributions of salt bridges. Molecular dynamics simulation is one technique that may be used study the complex relationship between structure, solvation and energetics of salt bridges, but the accuracy of such simulations depends on the force field used. We have used NMR data on the B1 domain of protein G (GB1) to benchmark molecular dynamics simulations. Using enhanced sampling simulations, we calculated the free energy of forming a salt bridge for three possible lysine-carboxylate ionic interactions in GB1. The NMR experiments showed that these interactions are either not formed, or only very weakly formed, in solution. In contrast, we show that the stability of the salt bridges is overestimated, to different extents, in simulations of GB1 using seven out of eight commonly used combinations of fixed charge force fields and water models. We also find that the Amber ff15ipq force field gives rise to weaker salt bridges in good agreement with the NMR experiments. We conclude that many force fields appear to overstabilize these ionic interactions, and that further work may be needed to refine our ability to model quantitatively the stability of salt bridges through simulations. We also suggest that comparisons between NMR experiments and simulations will play a crucial role in furthering our understanding of this important interaction.

The DarkSide-50 Experiment: Electron Recoil Calibrations and A Global Energy Variable

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hackett, Brianne Rae

2017-01-01

Over the course of decades, there has been mounting astronomical evidence for non-baryonic dark matter, yet its precise nature remains elusive. A favored candidate for dark matter is the Weakly Interacting Massive Particle (WIMP) which arises naturally out of extensions to the Standard Model. WIMPs are expected to occasionally interact with particles of normal matter through nuclear recoils. DarkSide-50 aims to detect this type of particle through the use of a two-phase liquid argon time projection chamber. To make a claim of discovery, an accurate understanding of the background and WIMP search region is imperative. Knowledge of the backgrounds ismore » done through extensive studies of DarkSide-50's response to electron and nuclear recoils. The CALibration Insertion System (CALIS) was designed and built for the purpose of introduc- ing radioactive sources into or near the detector in a joint eort between Fermi National Laboratory (FNAL) and the University of Hawai'i at Manoa. This work describes the testing, installation, and commissioning of CALIS at the Laboratori Nazionali del Gran Sasso. CALIS has been used in mul- tiple calibration campaigns with both neutron and sources. In this work, DarkSide-50's response to electron recoils, which are important for background estimations, was studied through the use of calibration sources by constructing a global energy variable which takes into account the anti- correlation between scintillation and ionization signals produced by interactions in the liquid argon. Accurately reconstructing the event energy correlates directly with quantitatively understanding the WIMP sensitivity in DarkSide-50. This work also validates the theoretically predicted decay spectrum of 39Ar against 39Ar decay data collected in the early days of DarkSide-50 while it was lled with atmospheric argon; a validation of this type is not readily found in the literature. Finally, we show how well the constructed energy variable can predict energy spectra for the calibration sources and for 39Ar.« less

The Darkside-50 Experiment: Electron Recoil Calibrations and a Global Energy Variable

NASA Astrophysics Data System (ADS)

Hackett, Brianne R.

Over the course of decades, there has been mounting astronomical evidence for non-baryonic dark matter, yet its precise nature remains elusive. A favored candidate for dark matter is the Weakly Interacting Massive Particle (WIMP) which arises naturally out of extensions to the Standard Model. WIMPs are expected to occasionally interact with particles of normal matter through nuclear recoils. DarkSide-50 aims to detect this type of particle through the use of a two-phase liquid argon time projection chamber. To make a claim of discovery, an accurate understanding of the background and WIMP search region is imperative. Knowledge of the backgrounds is done through extensive studies of DarkSide-50's response to electron and nuclear recoils. The CALibration Insertion System (CALIS) was designed and built for the purpose of introducing radioactive sources into or near the detector in a joint effort between Fermi National Laboratory (FNAL) and the University of Hawai'i at Manoa. This work describes the testing, installation, and commissioning of CALIS at the Laboratori Nazionali del Gran Sasso. CALIS has been used in multiple calibration campaigns with both neutron and gamma sources. In this work, DarkSide-50's response to electron recoils, which are important for background estimations, was studied through the use of gamma calibration sources by constructing a global energy variable which takes into account the anti-correlation between scintillation and ionization signals produced by interactions in the liquid argon. Accurately reconstructing the event energy correlates directly with quantitatively understanding the WIMP sensitivity in DarkSide-50. This work also validates the theoretically predicted beta decay spectrum of 39Ar against 39Ar beta decay data collected in the early days of DarkSide-50 while it was filled with atmospheric argon; a validation of this type is not readily found in the literature. Finally, we show how well the constructed energy variable can predict energy spectra for the calibration sources and for 39Ar.

The Volume Field Model about Strong Interaction and Weak Interaction

NASA Astrophysics Data System (ADS)

Liu, Rongwu

2016-03-01

For a long time researchers have believed that strong interaction and weak interaction are realized by exchanging intermediate particles. This article proposes a new mechanism as follows: Volume field is a form of material existence in plane space, it takes volume-changing motion in the form of non-continuous motion, volume fields have strong interaction or weak interaction between them by overlapping their volume fields. Based on these concepts, this article further proposes a ``bag model'' of volume field for atomic nucleus, which includes three sub-models of the complex structure of fundamental body (such as quark), the atom-like structure of hadron, and the molecule-like structure of atomic nucleus. This article also proposes a plane space model and formulates a physics model of volume field in the plane space, as well as a model of space-time conversion. The model of space-time conversion suggests that: Point space-time and plane space-time convert each other by means of merging and rupture respectively, the essence of space-time conversion is the mutual transformations of matter and energy respectively; the process of collision of high energy hadrons, the formation of black hole, and the Big Bang of universe are three kinds of space-time conversions.

Real-Time Localization of Moving Dipole Sources for Tracking Multiple Free-Swimming Weakly Electric Fish

PubMed Central

Jun, James Jaeyoon; Longtin, André; Maler, Leonard

2013-01-01

In order to survive, animals must quickly and accurately locate prey, predators, and conspecifics using the signals they generate. The signal source location can be estimated using multiple detectors and the inverse relationship between the received signal intensity (RSI) and the distance, but difficulty of the source localization increases if there is an additional dependence on the orientation of a signal source. In such cases, the signal source could be approximated as an ideal dipole for simplification. Based on a theoretical model, the RSI can be directly predicted from a known dipole location; but estimating a dipole location from RSIs has no direct analytical solution. Here, we propose an efficient solution to the dipole localization problem by using a lookup table (LUT) to store RSIs predicted by our theoretically derived dipole model at many possible dipole positions and orientations. For a given set of RSIs measured at multiple detectors, our algorithm found a dipole location having the closest matching normalized RSIs from the LUT, and further refined the location at higher resolution. Studying the natural behavior of weakly electric fish (WEF) requires efficiently computing their location and the temporal pattern of their electric signals over extended periods. Our dipole localization method was successfully applied to track single or multiple freely swimming WEF in shallow water in real-time, as each fish could be closely approximated by an ideal current dipole in two dimensions. Our optimized search algorithm found the animal’s positions, orientations, and tail-bending angles quickly and accurately under various conditions, without the need for calibrating individual-specific parameters. Our dipole localization method is directly applicable to studying the role of active sensing during spatial navigation, or social interactions between multiple WEF. Furthermore, our method could be extended to other application areas involving dipole source localization. PMID:23805244

Propagation of electromagnetic soliton in a spin polarized current driven weak ferromagnetic nanowire

NASA Astrophysics Data System (ADS)

Senthil Kumar, V.; Kavitha, L.; Gopi, D.

2017-11-01

We investigate the nonlinear spin dynamics of a spin polarized current driven anisotropic ferromagnetic nanowire with Dzyaloshinskii-Moriya interaction (DMI) under the influence of electromagnetic wave (EMW) propagating along the axis of the nanowire. The magnetization dynamics and electromagnetic wave propagation in the ferromagnetic nanowire with weak anti-symmetric interaction is governed by a coupled vector Landau-Lifshitz-Gilbert and Maxwell's equations. These coupled nonlinear vector equations are recasted into the extended derivative nonlinear Schrödinger (EDNLS) equation in the framework of reductive perturbation method. As it is well known, the modulational instability is a precursor for the emergence of localized envelope structures of various kinds, we compute the instability criteria for the weak ferromagnetic nanowire through linear stability analysis. Further, we invoke the homogeneous balance method to construct kink and anti-solitonic like electromagnetic (EM) soliton profiles for the EDNLS equation. We also explore the appreciable effect of the anti-symmetric weak interaction on the magnetization components of the propagating EM soliton. We find that the combination of spin-polarized current and the anti-symmetric DMI have a profound effect on the propagating EMW in a weak ferromagnetic nanowire. Thus, the anti-symmetric DMI in a spin polarized current driven ferromagnetic nanowire supports the lossless propagation of EM solitons, which may have potential applications in magnetic data storage devices.

Dependence of weak interaction rates on the nuclear composition during stellar core collapse

NASA Astrophysics Data System (ADS)

Furusawa, Shun; Nagakura, Hiroki; Sumiyoshi, Kohsuke; Kato, Chinami; Yamada, Shoichi

2017-02-01

We investigate the influences of the nuclear composition on the weak interaction rates of heavy nuclei during the core collapse of massive stars. The nuclear abundances in nuclear statistical equilibrium (NSE) are calculated by some equation of state (EOS) models including in-medium effects on nuclear masses. We systematically examine the sensitivities of electron capture and neutrino-nucleus scattering on heavy nuclei to the nuclear shell effects and the single-nucleus approximation. We find that the washout of the shell effect at high temperatures brings significant change to weak rates by smoothing the nuclear abundance distribution: the electron capture rate decreases by ˜20 % in the early phase and increases by ˜40 % in the late phase at most, while the cross section for neutrino-nucleus scattering is reduced by ˜15 % . This is because the open-shell nuclei become abundant instead of those with closed neutron shells as the shell effects disappear. We also find that the single-nucleus description based on the average values leads to underestimations of weak rates. Electron captures and neutrino coherent scattering on heavy nuclei are reduced by ˜80 % in the early phase and by ˜5 % in the late phase, respectively. These results indicate that NSE like EOS accounting for shell washout is indispensable for the reliable estimation of weak interaction rates in simulations of core-collapse supernovae.

An ab initio study of the low-lying doublet states of AgO and AgS

NASA Astrophysics Data System (ADS)

Bauschlicher, Charles W.; Partridge, Harry; Langhoff, Stephen R.

1990-11-01

Spectroscopic constants ( Do, re, μ e, Te) are determined for the doublet states of AgO and AgS below ≈ 30000 cm -1. valence basis sets are employed in conjunction with relativistic effective core potentials (RECPs). Electron correlation is included using the modified coupled-pair functional (MCPF) and multireferenceconfiguration interaction (MRCI) methods. The A 2Σ +-X 2Π band system is found to occur in the near infrared ( ≈ 9000 cm -1) and to be relatively weak with a radiative lifetime of 900 μs for A 2Σ + (ν = 0). The weakly bound C 2Π state (our notation), the upper state of the blue system, is found to require high levels of theoretical treatment to determine a quantitatively accurate potential. The red system is assigned as a transition from the C 2Π state to the previously unobserved A 2Σ + state. Several additional transitions are identified that should be detectable experiment A more limited study is performed for the vertical excitation spectrum of AgS. In addition, a detailed all-electron study of the X 2Π and A 2Σ + states of AgO is carried out using large atomic natural orbital (ANO) basis sets. Our best calculated Do value for AgO is significantly less than the experimental value, which suggests that there may be some systematic error in the experimental determination.

Merging symmetry projection methods with coupled cluster theory: Lessons from the Lipkin model Hamiltonian

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wahlen-Strothman, J. M.; Henderson, T. H.; Hermes, M. R.

Coupled cluster and symmetry projected Hartree-Fock are two central paradigms in electronic structure theory. However, they are very different. Single reference coupled cluster is highly successful for treating weakly correlated systems, but fails under strong correlation unless one sacrifices good quantum numbers and works with broken-symmetry wave functions, which is unphysical for finite systems. Symmetry projection is effective for the treatment of strong correlation at the mean-field level through multireference non-orthogonal configuration interaction wavefunctions, but unlike coupled cluster, it is neither size extensive nor ideal for treating dynamic correlation. We here examine different scenarios for merging these two dissimilar theories.more » We carry out this exercise over the integrable Lipkin model Hamiltonian, which despite its simplicity, encompasses non-trivial physics for degenerate systems and can be solved via diagonalization for a very large number of particles. We show how symmetry projection and coupled cluster doubles individually fail in different correlation limits, whereas models that merge these two theories are highly successful over the entire phase diagram. Despite the simplicity of the Lipkin Hamiltonian, the lessons learned in this work will be useful for building an ab initio symmetry projected coupled cluster theory that we expect to be accurate in the weakly and strongly correlated limits, as well as the recoupling regime.« less

Characterization of fast photoelectron packets in weak and strong laser fields in ultrafast electron microscopy.

PubMed

Plemmons, Dayne A; Tae Park, Sang; Zewail, Ahmed H; Flannigan, David J

2014-11-01

The development of ultrafast electron microscopy (UEM) and variants thereof (e.g., photon-induced near-field electron microscopy, PINEM) has made it possible to image atomic-scale dynamics on the femtosecond timescale. Accessing the femtosecond regime with UEM currently relies on the generation of photoelectrons with an ultrafast laser pulse and operation in a stroboscopic pump-probe fashion. With this approach, temporal resolution is limited mainly by the durations of the pump laser pulse and probe electron packet. The ability to accurately determine the duration of the electron packets, and thus the instrument response function, is critically important for interpretation of dynamics occurring near the temporal resolution limit, in addition to quantifying the effects of the imaging mode. Here, we describe a technique for in situ characterization of ultrashort electron packets that makes use of coupling with photons in the evanescent near-field of the specimen. We show that within the weakly-interacting (i.e., low laser fluence) regime, the zero-loss peak temporal cross-section is precisely the convolution of electron packet and photon pulse profiles. Beyond this regime, we outline the effects of non-linear processes and show that temporal cross-sections of high-order peaks explicitly reveal the electron packet profile, while use of the zero-loss peak becomes increasingly unreliable. Copyright © 2014 Elsevier B.V. All rights reserved.

Weak values in collision theory

NASA Astrophysics Data System (ADS)

de Castro, Leonardo Andreta; Brasil, Carlos Alexandre; Napolitano, Reginaldo de Jesus

2018-05-01

Weak measurements have an increasing number of applications in contemporary quantum mechanics. They were originally described as a weak interaction that slightly entangled the translational degrees of freedom of a particle to its spin, yielding surprising results after post-selection. That description often ignores the kinetic energy of the particle and its movement in three dimensions. Here, we include these elements and re-obtain the weak values within the context of collision theory by two different approaches, and prove that the results are compatible with each other and with the results from the traditional approach. To provide a more complete description, we generalize weak values into weak tensors and use them to provide a more realistic description of the Stern-Gerlach apparatus.

Competitive ability, stress tolerance and plant interactions along stress gradients.

PubMed

Qi, Man; Sun, Tao; Xue, SuFeng; Yang, Wei; Shao, DongDong; Martínez-López, Javier

2018-04-01

Exceptions to the generality of the stress-gradient hypothesis (SGH) may be reconciled by considering species-specific traits and stress tolerance strategies. Studies have tested stress tolerance and competitive ability in mediating interaction outcomes, but few have incorporated this to predict how species interactions shift between competition and facilitation along stress gradients. We used field surveys, salt tolerance and competition experiments to develop a predictive model interspecific interaction shifts across salinity stress gradients. Field survey and greenhouse tolerance tests revealed tradeoffs between stress tolerance and competitive ability. Modeling showed that along salinity gradients, (1) plant interactions shifted from competition to facilitation at high salinities within the physiological limits of salt-intolerant plants, (2) facilitation collapsed when salinity stress exceeded the physiological tolerance of salt-intolerant plants, and (3) neighbor removal experiments overestimate interspecific facilitation by including intraspecific effects. A community-level field experiment, suggested that (1) species interactions are competitive in benign and, facilitative in harsh condition, but fuzzy under medium environmental stress due to niche differences of species and weak stress amelioration, and (2) the SGH works on strong but not weak stress gradients, so SGH confusion arises when it is applied across questionable stress gradients. Our study clarifies how species interactions vary along stress gradients. Moving forward, focusing on SGH applications rather than exceptions on weak or nonexistent gradients would be most productive. © 2018 by the Ecological Society of America.

Cholera Toxin Inhibitors Studied with High-Performance Liquid Affinity Chromatography: A Robust Method to Evaluate Receptor–Ligand Interactions

PubMed Central

Bergström, Maria; Liu, Shuang; Kiick, Kristi L.; Ohlson, Sten

2009-01-01

Anti-adhesion drugs may be an alternative to antibiotics to control infection of micro-organisms. The well-characterized interaction between cholera toxin and the cellular glycolipid GM1 makes it an attractive model for inhibition studies in general. In this report, we demonstrate a high-performance liquid affinity chromatography approach called weak affinity chromatography to evaluate cholera toxin inhibitors. The cholera toxin B-subunit was covalently coupled to porous silica and a (weak) affinity column was produced. The KD values of galactose and meta-nitrophenyl α-D-galactoside were determined with weak affinity chromatography to be 52 and 1 mM, respectively, which agree well with IC50 values previously reported. To increase inhibition potency multivalent inhibitors have been developed and the interaction with multivalent glycopolypeptides was also evaluated. The affinity of these compounds was found to correlate with the galactoside content but KD values were not obtained because of the inhomogeneous response and slow off-rate from multivalent interactions. Despite the limitations in obtaining direct KD values of the multivalent galactopolypeptides, weak affinity chromatography represents an additional and valuable tool in the evaluation of monovalent as well as multivalent cholera toxin inhibitors. It offers multiple advantages, such as a low sample consumption, high reproducibility and short analysis time, which are often not observed in other methods of analysis. PMID:19152642

Nonlinear interactions in mixing layers and compressible heated round jets. Ph.D. Thesis Final Report

NASA Technical Reports Server (NTRS)

Jarrah, Yousef Mohd

1989-01-01

The nonlinear interactions between a fundamental instability mode and both its harmonics and the changing mean flow are studied using the weakly nonlinear stability theory of Stuart and Watson, and numerical solutions of coupled nonlinear partial differential equations. The first part focuses on incompressible cold (or isothermal; constant temperature throughout) mixing layers, and for these, the first and second Landau constants are calculated as functions of wavenumber and Reynolds number. It is found that the dominant contribution to the Landau constants arises from the mean flow changes and not from the higher harmonics. In order to establish the range of validity of the weakly nonlinear theory, the weakly nonlinear and numerical solutions are compared and the limitation of each is discussed. At small amplitudes and at low-to-moderate Reynolds numbers, the two results compare well in describing the saturation of the fundamental, the distortion of the mean flow, and the initial stages of vorticity roll-up. At larger amplitudes, the interaction between the fundamental, second harmonic, and the mean flow is strongly nonlinear and the numerical solution predicts flow oscillations, whereas the weakly nonlinear theory yields saturation. In the second part, the weakly nonlinear theory is extended to heated (or nonisothermal; mean temperature distribution) subsonic round jets where quadratic and cubic nonlinear interactions are present, and the Landau constants also depend on jet temperature ratio, Mach number and azimuthal mode number. Under exponential growth and nonlinear saturation, it is found that heating and compressibility suppress the growth of instability waves, that the first azimuthal mode is the dominant instability mode, and that the weakly nonlinear solution describes the early stages of the roll-up of an axisymmetric shear layer. The receptivity of a typical jet flow to pulse type input disturbance is also studied by solving the initial value problem and then examining the behavior of the long-time solution.

Quantum Counterfactual Information Transmission Without a Weak Trace

NASA Astrophysics Data System (ADS)

Arvidsson Shukur, David; Barnes, Crispin

The classical theories of communication rely on the assumption that there has to be a flow of particles from Bob to Alice in order for him to send a message to her. We have developed a quantum protocol that allows Alice to perceive Bob's message ``counterfactually''. That is, without Alice receiving any particles that have interacted with Bob. By utilising a setup built on results from interaction-free measurements and the quantum Zeno effect, we outline a communication protocol in which the information travels in the opposite direction of the emitted particles. In comparison to previous attempts on such protocols, this one is such that a weak measurement at the message source would not leave a weak trace that could be detected by Alice's receiver. Whilst some interaction-free schemes require a large number of carefully aligned beam-splitters, our protocol is realisable with two or more beam-splitters. Furthermore, we outline how Alice's obtained classical Fisher information between a weak variable at Bob's laboratory is negligible in our scheme. We demonstrate this protocol by numerically solving the time-dependent Schrödinger Equation (TDSE) for a Hamiltonian that implements this quantum counterfactual phenomenon.

Universes without the weak force: Astrophysical processes with stable neutrons

NASA Astrophysics Data System (ADS)

Grohs, E.; Howe, Alex R.; Adams, Fred C.

2018-02-01

We investigate a class of universes in which the weak interaction is not in operation. We consider how astrophysical processes are altered in the absence of weak forces, including big bang nucleosynthesis (BBN), galaxy formation, molecular cloud assembly, star formation, and stellar evolution. Without weak interactions, neutrons no longer decay, and the universe emerges from its early epochs with a mixture of protons, neutrons, deuterium, and helium. The baryon-to-photon ratio must be smaller than the canonical value in our Universe to allow free nucleons to survive the BBN epoch without being incorporated into heavier nuclei. At later times, the free neutrons readily combine with protons to make deuterium in sufficiently dense parts of the interstellar medium, and provide a power source before they are incorporated into stars. Almost all of the neutrons are incorporated into deuterium nuclei before stars are formed. As a result, stellar evolution proceeds primarily through strong interactions, with deuterium first burning into helium, and then helium fusing into carbon. Low-mass deuterium-burning stars can be long-lived, and higher-mass stars can synthesize the heavier elements necessary for life. Although somewhat different from our own, such universes remain potentially habitable.

Concise NMR approach for molecular dynamics characterizations in organic solids.

PubMed

Aliev, Abil E; Courtier-Murias, Denis

2013-08-22

Molecular dynamics characterisations in solids can be carried out selectively using dipolar-dephasing experiments. Here we show that the introduction of a sum of Lorentzian and Gaussian functions greatly improve fittings of the "intensity versus time" data for protonated carbons in dipolar-dephasing experiments. The Lorentzian term accounts for remote intra- and intermolecular (1)H-(13)C dipole-dipole interactions, which vary from one molecule to another or for different carbons within the same molecule. Thus, by separating contributions from weak remote interactions, more accurate Gaussian decay constants, T(dd), can be extracted for directly bonded (1)H-(13)C dipole-dipole interactions. Reorientations of the (1)H-(13)C bonds lead to the increase of T(dd), and by measuring dipolar-dephasing constants, insight can be gained into dynamics in solids. We have demonstrated advantages of the method using comparative dynamics studies in the α and γ polymorphs of glycine, cyclic amino acids L-proline, DL-proline and trans-4-hydroxy-L-proline, the Ala residue in different dipeptides, as well as adamantane and hexamethylenetetramine. It was possible to distinguish subtle differences in dynamics of different carbon sites within a molecule in polymorphs and in L- and DL-forms. The presence of overall molecular motions is shown to lead to particularly large differences in dipolar-dephasing experiments. The differences in dynamics can be attributed to differences in noncovalent interactions. In the case of hexamethylenetetramine, for example, the presence of C-H···N interactions leads to nearly rigid molecules. Overall, the method allows one to gain insight into the role of noncovalent interactions in solids and their influence on the molecular dynamics.

Elastic properties of paramagnetic austenitic steel at finite temperature: Longitudinal spin fluctuations in multicomponent alloys

NASA Astrophysics Data System (ADS)

Dong, Zhihua; Schönecker, Stephan; Chen, Dengfu; Li, Wei; Long, Mujun; Vitos, Levente

2017-11-01

We propose a first-principles framework for longitudinal spin fluctuations (LSFs) in disordered paramagnetic (PM) multicomponent alloy systems and apply it to investigate the influence of LSFs on the temperature dependence of two elastic constants of PM austenitic stainless steel Fe15Cr15Ni. The magnetic model considers individual fluctuating moments in a static PM medium with first-principles-derived LSF energetics in conjunction with describing chemical disorder and randomness of the transverse magnetic component in the single-site alloy formalism and disordered local moment (DLM) picture. A temperature-sensitive mean magnetic moment is adopted to accurately represent the LSF state in the elastic-constant calculations. We make evident that magnetic interactions between an LSF impurity and the PM medium are weak in the present steel alloy. This allows gaining accurate LSF energetics and mean magnetic moments already through a perturbation from the static DLM moments instead of a tedious self-consistent procedure. We find that LSFs systematically lower the cubic shear elastic constants c' and c44 by ˜6 GPa in the temperature interval 300-1600 K, whereas the predominant mechanism for the softening of both elastic constants with temperature is the magneto-volume coupling due to thermal lattice expansion. We find that non-negligible local magnetic moments of Cr and Ni are thermally induced by LSFs, but they exert only a small influence on the elastic properties. The proposed framework exhibits high flexibility in accurately accounting for finite-temperature magnetism and its impact on the mechanical properties of PM multicomponent alloys.

Bulkiness or aromatic nature of tyrosine-143 of actin is important for the weak binding between F-actin and myosin-ADP-phosphate

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gomibuchi, Yuki; Uyeda, Taro Q.P.; Wakabayashi, Takeyuki, E-mail: tw007@nasu.bio.teikyo-u.ac.jp

2013-11-29

Highlights: •The effect of mutation of Tyr143 that becomes more exposed on assembly was examined. •Mutation of tyrosine-143 of Dictyostelium actin changed actin polymerizability. •The bulkiness or aromatic nature of Tyr143 is important for the weak binding. •The weak interaction between myosin and actin strengthened by Tyr143Trp mutation. -- Abstract: Actin filaments (F-actin) interact with myosin and activate its ATPase to support force generation. By comparing crystal structures of G-actin and the quasi-atomic model of F-actin based on high-resolution cryo-electron microscopy, the tyrosine-143 was found to be exposed more than 60 Å{sup 2} to the solvent in F-actin. Because tyrosine-143more » flanks the hydrophobic cleft near the hydrophobic helix that binds to myosin, the mutant actins, of which the tyrosine-143 was replaced with tryptophan, phenylalanine, or isoleucine, were generated using the Dictyostelium expression system. It polymerized significantly poorly when induced by NaCl, but almost normally by KCl. In the presence of phalloidin and KCl, the extents of the polymerization of all the mutant actins were comparable to that of the wild-type actin so that the actin-activated myosin ATPase activity could be reliably compared. The affinity of skeletal heavy meromyosin to F-actin and the maximum ATPase activity (V{sub max}) were estimated by a double reciprocal plot. The Tyr143Trp-actin showed the higher affinity (smaller K{sub app}) than that of the wild-type actin, with the V{sub max} being almost unchanged. The K{sub app} and V{sub max} of the Tyr143Phe-actin were similar to those of the wild-type actin. However, the activation by Tyr143Ile-actin was much smaller than the wild-type actin and the accurate determination of K{sub app} was difficult. Comparison of the myosin ATPase activated by the various mutant actins at the same concentration of F-actin showed that the extent of activation correlates well with the solvent-accessible surface areas (ASA) of the replaced amino acid molecule. Because 1/K{sub app} reflects the affinity of F-actin for the myosin–ADP-phosphate intermediate (M.ADP.Pi) through the weak binding, these data suggest that the bulkiness or the aromatic nature of the tyrosin-143 is important for the initial binding of the M.ADP.Pi intermediate with F-actin but not for later processes such as the phosphate release.« less

DOA Estimation for Underwater Wideband Weak Targets Based on Coherent Signal Subspace and Compressed Sensing

PubMed Central

2018-01-01

Direction of arrival (DOA) estimation is the basis for underwater target localization and tracking using towed line array sonar devices. A method of DOA estimation for underwater wideband weak targets based on coherent signal subspace (CSS) processing and compressed sensing (CS) theory is proposed. Under the CSS processing framework, wideband frequency focusing is accompanied by a two-sided correlation transformation, allowing the DOA of underwater wideband targets to be estimated based on the spatial sparsity of the targets and the compressed sensing reconstruction algorithm. Through analysis and processing of simulation data and marine trial data, it is shown that this method can accomplish the DOA estimation of underwater wideband weak targets. Results also show that this method can considerably improve the spatial spectrum of weak target signals, enhancing the ability to detect them. It can solve the problems of low directional resolution and unreliable weak-target detection in traditional beamforming technology. Compared with the conventional minimum variance distortionless response beamformers (MVDR), this method has many advantages, such as higher directional resolution, wider detection range, fewer required snapshots and more accurate detection for weak targets. PMID:29562642

Mechanism for recognition of polyubiquitin chains: balancing affinity through interplay between multivalent binding and dynamics.

PubMed

Markin, Craig J; Xiao, Wei; Spyracopoulos, Leo

2010-08-18

RAP80 plays a key role in signal transduction in the DNA damage response by recruiting proteins to DNA damage foci by binding K63-polyubiquitin chains with two tandem ubiquitin-interacting motifs (tUIM). It is generally recognized that the typically weak interaction between ubiquitin (Ub) and various recognition motifs is intensified by themes such as tandem recognition motifs and Ub polymerization to achieve biological relevance. However, it remains an intricate problem to develop a detailed molecular mechanism to describe the process that leads to amplification of the Ub signal. A battery of solution-state NMR methods and molecular dynamics simulations were used to demonstrate that RAP80-tUIM employs mono- and multivalent interactions with polyUb chains to achieve enhanced affinity in comparison to monoUb interactions for signal amplification. The enhanced affinity is balanced by unfavorable entropic effects that include partial quenching of rapid reorientation between individual UIM domains and individual Ub domains in the bound state. For the RAP80-tUIM-polyUb interaction, increases in affinity with increasing chain length are a result of increased numbers of mono- and multivalent binding sites in the longer polyUb chains. The mono- and multivalent interactions are characterized by intrinsically weak binding and fast off-rates; these weak interactions with fast kinetics may be an important factor underlying the transient nature of protein-protein interactions that comprise DNA damage foci.

The role of RhD agglutination for the detection of weak D red cells by anti-D flow cytometry.

PubMed

Grey, D E; Davies, J I; Connolly, M; Fong, E A; Erber, W N

2005-04-01

Anti-D flow cytometry is an accurate method for quantifying feto-maternal haemorrhage (FMH). However, weak D red cells with <1000 RhD sites are not detectable using this methodology but are immunogenic. As quantitation of RhD sites is not practical, an alternative approach is required to identify those weak D fetal red cells where anti-D flow cytometry is inappropriate. We describe a simple algorithm based on RhD agglutination and flow cytometry peak separation. All weak D (n = 34) gave weak agglutination with RUM-1 on immediate spin (grading

Analysis of factors related to arm weakness in patients with breast cancer-related lymphedema.

PubMed

Lee, Daegu; Hwang, Ji Hye; Chu, Inho; Chang, Hyun Ju; Shim, Young Hun; Kim, Jung Hyun

2015-08-01

The aim of this study was to evaluate the ratio of significant weakness in the affected arm of breast cancer-related lymphedema patients to their unaffected side. Another purpose was to identify factors related to arm weakness and physical function in patients with breast cancer-related lymphedema. Consecutive patients (n = 80) attended a single evaluation session following their outpatient lymphedema clinic visit. Possible independent factors (i.e., lymphedema, pain, psychological, educational, and behavioral) were evaluated. Handgrip strength was used to assess upper extremity muscle strength and the disabilities of arm, shoulder, and hand (DASH) questionnaire was used to assess upper extremity physical function. Multivariate logistic regression was performed using factors that had significant differences between the handgrip weakness and non-weakness groups. Out of the 80 patients with breast cancer-related lymphedema, 29 patients (36.3 %) had significant weakness in the affected arm. Weakness of the arm with lymphedema was not related to lymphedema itself, but was related to the fear of using the affected limb (odds ratio = 1.76, 95 % confidence interval = 1.30-2.37). Fears of using the affected limb and depression significantly contributed to the variance in DASH scores. Appropriate physical and psychological interventions, including providing accurate information and reassurance of physical activity safety, are necessary to prevent arm weakness and physical dysfunction in patients with breast cancer-related lymphedema.

Sampling Long- versus Short-Range Interactions Defines the Ability of Force Fields To Reproduce the Dynamics of Intrinsically Disordered Proteins.

PubMed

Mercadante, Davide; Wagner, Johannes A; Aramburu, Iker V; Lemke, Edward A; Gräter, Frauke

2017-09-12

Molecular dynamics (MD) simulations have valuably complemented experiments describing the dynamics of intrinsically disordered proteins (IDPs), particularly since the proposal of models to solve the artificial collapse of IDPs in silico. Such models suggest redefining nonbonded interactions, by either increasing water dispersion forces or adopting the Kirkwood-Buff force field. These approaches yield extended conformers that better comply with experiments, but it is unclear if they all sample the same intrachain dynamics of IDPs. We have tested this by employing MD simulations and single-molecule Förster resonance energy transfer spectroscopy to sample the dimensions of systems with different sequence compositions, namely strong and weak polyelectrolytes. For strong polyelectrolytes in which charge effects dominate, all the proposed solutions equally reproduce the expected ensemble's dimensions. For weak polyelectrolytes, at lower cutoffs, force fields abnormally alter intrachain dynamics, overestimating excluded volume over chain flexibility or reporting no difference between the dynamics of different chains. The TIP4PD water model alone can reproduce experimentally observed changes in extensions (dimensions), but not quantitatively and with only weak statistical significance. Force field limitations are reversed with increased interaction cutoffs, showing that chain dynamics are critically defined by the presence of long-range interactions. Force field analysis aside, our study provides the first insights into how long-range interactions critically define IDP dimensions and raises the question of which length range is crucial to correctly sample the overall dimensions and internal dynamics of the large group of weakly charged yet highly polar IDPs.

Improving monoclonal antibody selection and engineering using measurements of colloidal protein interactions

PubMed Central

Geng, Steven B.; Cheung, Jason K.; Narasimhan, Chakravarthy; Shameem, Mohammed; Tessier, Peter M.

2014-01-01

A limitation of using monoclonal antibodies as therapeutic molecules is their propensity to associate with themselves and/or with other molecules via non-affinity (colloidal) interactions. This can lead to a variety of problems ranging from low solubility and high viscosity to off-target binding and fast antibody clearance. Measuring such colloidal interactions is challenging given that they are weak and potentially involve diverse target molecules. Nevertheless, assessing these weak interactions – especially during early antibody discovery and lead candidate optimization – is critical to preventing problems that can arise later in the development process. Here we review advances in developing and implementing sensitive methods for measuring antibody colloidal interactions as well as using these measurements for guiding antibody selection and engineering. These systematic efforts to minimize non-affinity interactions are expected to yield more effective and stable monoclonal antibodies for diverse therapeutic applications. PMID:25209466

Dynamical screening of the van der Waals interaction between graphene layers.

PubMed

Dappe, Y J; Bolcatto, P G; Ortega, J; Flores, F

2012-10-24

The interaction between graphene layers is analyzed combining local orbital DFT and second order perturbation theory. For this purpose we use the linear combination of atomic orbitals-orbital occupancy (LCAO-OO) formalism, that allows us to separate the interaction energy as the sum of a weak chemical interaction between graphene layers plus the van der Waals interaction (Dappe et al 2006 Phys. Rev. B 74 205434). In this work, the weak chemical interaction is calculated by means of corrected-LDA calculations using an atomic-like sp(3)d(5) basis set. The van der Waals interaction is calculated by means of second order perturbation theory using an atom-atom interaction approximation and the atomic-like-orbital occupancies. We also analyze the effect of dynamical screening in the van der Waals interaction using a simple model. We find that this dynamical screening reduces by 40% the van der Waals interaction. Taking this effect into account, we obtain a graphene-graphene interaction energy of 70 ± 5 meV/atom in reasonable agreement with the experimental evidence.

Zoo of Quantum Phases and Excitations of Cold Bosonic Atoms in Optical Lattices

DOE Office of Scientific and Technical Information (OSTI.GOV)

Alon, Ofir E.; Streltsov, Alexej I.; Cederbaum, Lorenz S.

Quantum phases and phase transitions of weakly to strongly interacting bosonic atoms in deep to shallow optical lattices are described by a single multiorbital mean-field approach in real space. For weakly interacting bosons in one dimension, the critical value of the superfluid to Mott insulator (MI) transition found is in excellent agreement with many-body treatments of the Bose-Hubbard model. For strongly interacting bosons (i) additional MI phases appear, for which two (or more) atoms residing in each site undergo a Tonks-Girardeau-like transition and localize, and (ii) on-site excitation becomes the excitation lowest in energy. Experimental implications are discussed.

Stochastic Resonance in an Underdamped System with Pinning Potential for Weak Signal Detection

PubMed Central

Zhang, Haibin; He, Qingbo; Kong, Fanrang

2015-01-01

Stochastic resonance (SR) has been proved to be an effective approach for weak sensor signal detection. This study presents a new weak signal detection method based on a SR in an underdamped system, which consists of a pinning potential model. The model was firstly discovered from magnetic domain wall (DW) in ferromagnetic strips. We analyze the principle of the proposed underdamped pinning SR (UPSR) system, the detailed numerical simulation and system performance. We also propose the strategy of selecting the proper damping factor and other system parameters to match a weak signal, input noise and to generate the highest output signal-to-noise ratio (SNR). Finally, we have verified its effectiveness with both simulated and experimental input signals. Results indicate that the UPSR performs better in weak signal detection than the conventional SR (CSR) with merits of higher output SNR, better anti-noise and frequency response capability. Besides, the system can be designed accurately and efficiently owing to the sensibility of parameters and potential diversity. The features also weaken the limitation of small parameters on SR system. PMID:26343662

Stochastic Resonance in an Underdamped System with Pinning Potential for Weak Signal Detection.

PubMed

Zhang, Haibin; He, Qingbo; Kong, Fanrang

2015-08-28

Stochastic resonance (SR) has been proved to be an effective approach for weak sensor signal detection. This study presents a new weak signal detection method based on a SR in an underdamped system, which consists of a pinning potential model. The model was firstly discovered from magnetic domain wall (DW) in ferromagnetic strips. We analyze the principle of the proposed underdamped pinning SR (UPSR) system, the detailed numerical simulation and system performance. We also propose the strategy of selecting the proper damping factor and other system parameters to match a weak signal, input noise and to generate the highest output signal-to-noise ratio (SNR). Finally, we have verified its effectiveness with both simulated and experimental input signals. Results indicate that the UPSR performs better in weak signal detection than the conventional SR (CSR) with merits of higher output SNR, better anti-noise and frequency response capability. Besides, the system can be designed accurately and efficiently owing to the sensibility of parameters and potential diversity. The features also weaken the limitation of small parameters on SR system.

Waiting for the W and the Higgs

DOE PAGES

Tannenbaum, Michael J.

2016-10-06

The search for the left-handed W± bosons, the proposed quanta of the weak interaction, and the Higgs boson, which spontaneously breaks the symmetry of unification of electromagnetic and weak interactions, has driven elementary-particle physics research from the time that I entered college to the present and has led to many unexpected and exciting discoveries which revolutionized our view of subnuclear physics over that period. In this article I describe how these searches and discoveries have intertwined with my own career.

Mass gap in the weak coupling limit of (2 +1 )-dimensional SU(2) lattice gauge theory

NASA Astrophysics Data System (ADS)

Anishetty, Ramesh; Sreeraj, T. P.

2018-04-01

We develop the dual description of (2 +1 )-dimensional SU(2) lattice gauge theory as interacting "Abelian-like" electric loops by using Schwinger bosons. "Point splitting" of the lattice enables us to construct explicit Hilbert space for the gauge invariant theory which in turn makes dynamics more transparent. Using path integral representation in phase space, the interacting closed loop dynamics is analyzed in the weak coupling limit to get the mass gap.

Waiting for the W. and the Higgs

NASA Astrophysics Data System (ADS)

Tannenbaum, M. J.

2016-12-01

The search for the left-handed W± bosons, the proposed quanta of the weak interaction, and the Higgs boson, which spontaneously breaks the symmetry of unification of electromagnetic and weak interactions, has driven elementary-particle physics research from the time that I entered college to the present and has led to many unexpected and exciting discoveries which revolutionized our view of subnuclear physics over that period. In this article I describe how these searches and discoveries have intertwined with my own career.

Weak measurements beyond the Aharonov-Albert-Vaidman formalism

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wu Shengjun; Li Yang

2011-05-15

We extend the idea of weak measurements to the general case, provide a complete treatment, and obtain results for both the regime when the preselected and postselected states (PPS) are almost orthogonal and the regime when they are exactly orthogonal. We surprisingly find that for a fixed interaction strength, there may exist a maximum signal amplification and a corresponding optimum overlap of PPS to achieve it. For weak measurements in the orthogonal regime, we find interesting quantities that play the same role that weak values play in the nonorthogonal regime.

Topology association analysis in weighted protein interaction network for gene prioritization

NASA Astrophysics Data System (ADS)

Wu, Shunyao; Shao, Fengjing; Zhang, Qi; Ji, Jun; Xu, Shaojie; Sun, Rencheng; Sun, Gengxin; Du, Xiangjun; Sui, Yi

2016-11-01

Although lots of algorithms for disease gene prediction have been proposed, the weights of edges are rarely taken into account. In this paper, the strengths of topology associations between disease and essential genes are analyzed in weighted protein interaction network. Empirical analysis demonstrates that compared to other genes, disease genes are weakly connected with essential genes in protein interaction network. Based on this finding, a novel global distance measurement for gene prioritization with weighted protein interaction network is proposed in this paper. Positive and negative flow is allocated to disease and essential genes, respectively. Additionally network propagation model is extended for weighted network. Experimental results on 110 diseases verify the effectiveness and potential of the proposed measurement. Moreover, weak links play more important role than strong links for gene prioritization, which is meaningful to deeply understand protein interaction network.

Report: Fiscal Years 2016 and 2015 Financial Statements for the Pesticide Registration Fund

EPA Pesticide Factsheets

Report #17-F-0365, August 14, 2017. Due to the material weakness in internal controls noted, the agency cannot provide reasonable assurance that financial data provided for the PRIA Fund accurately reflect the agency’s financial activities and balances.

Report: Fiscal Years 2015 and 2014 Financial Statements for the Pesticide Registration Fund

EPA Pesticide Factsheets

Report #17-F-0315, July 10, 2017. Due to the material weakness in internal controls noted, the agency cannot provide reasonable assurance that financial data provided for the PRIA Fund accurately reflect the agency’s financial activities and balances.

Fixation Probability in a Haploid-Diploid Population

PubMed Central

Bessho, Kazuhiro; Otto, Sarah P.

2017-01-01

Classical population genetic theory generally assumes either a fully haploid or fully diploid life cycle. However, many organisms exhibit more complex life cycles, with both free-living haploid and diploid stages. Here we ask what the probability of fixation is for selected alleles in organisms with haploid-diploid life cycles. We develop a genetic model that considers the population dynamics using both the Moran model and Wright–Fisher model. Applying a branching process approximation, we obtain an accurate fixation probability assuming that the population is large and the net effect of the mutation is beneficial. We also find the diffusion approximation for the fixation probability, which is accurate even in small populations and for deleterious alleles, as long as selection is weak. These fixation probabilities from branching process and diffusion approximations are similar when selection is weak for beneficial mutations that are not fully recessive. In many cases, particularly when one phase predominates, the fixation probability differs substantially for haploid-diploid organisms compared to either fully haploid or diploid species. PMID:27866168

Quantification of urinary zwitterionic organic acids using weak-anion exchange chromatography with tandem MS detection.

PubMed

Bishop, Michael Jason; Crow, Brian S; Kovalcik, Kasey D; George, Joe; Bralley, James A

2007-04-01

A rapid and accurate quantitative method was developed and validated for the analysis of four urinary organic acids with nitrogen containing functional groups, formiminoglutamic acid (FIGLU), pyroglutamic acid (PYRGLU), 5-hydroxyindoleacetic acid (5-HIAA), and 2-methylhippuric acid (2-METHIP) by liquid chromatography tandem mass spectrometry (LC/MS/MS). The chromatography was developed using a weak anion-exchange amino column that provided mixed-mode retention of the analytes. The elution gradient relied on changes in mobile phase pH over a concave gradient, without the use of counter-ions or concentrated salt buffers. A simple sample preparation was used, only requiring the dilution of urine prior to instrumental analysis. The method was validated based on linearity (r2>or=0.995), accuracy (85-115%), precision (C.V.<12%), sample preparation stability (

Extended Huygens-Fresnel principle and optical waves propagation in turbulence: discussion.

PubMed

Charnotskii, Mikhail

2015-07-01

Extended Huygens-Fresnel principle (EHF) currently is the most common technique used in theoretical studies of the optical propagation in turbulence. A recent review paper [J. Opt. Soc. Am. A31, 2038 (2014)JOAOD60740-323210.1364/JOSAA.31.002038] cites several dozens of papers that are exclusively based on the EHF principle. We revisit the foundations of the EHF, and show that it is burdened by very restrictive assumptions that make it valid only under weak scintillation conditions. We compare the EHF to the less-restrictive Markov approximation and show that both theories deliver identical results for the second moment of the field, rendering the EHF essentially worthless. For the fourth moment of the field, the EHF principle is accurate under weak scintillation conditions, but is known to provide erroneous results for strong scintillation conditions. In addition, since the EHF does not obey the energy conservation principle, its results cannot be accurate for scintillations of partially coherent beam waves.

Segmentation of prostate from ultrasound images using level sets on active band and intensity variation across edges.

PubMed

Li, Xu; Li, Chunming; Fedorov, Andriy; Kapur, Tina; Yang, Xiaoping

2016-06-01

In this paper, the authors propose a novel efficient method to segment ultrasound images of the prostate with weak boundaries. Segmentation of the prostate from ultrasound images with weak boundaries widely exists in clinical applications. One of the most typical examples is the diagnosis and treatment of prostate cancer. Accurate segmentation of the prostate boundaries from ultrasound images plays an important role in many prostate-related applications such as the accurate placement of the biopsy needles, the assignment of the appropriate therapy in cancer treatment, and the measurement of the prostate volume. Ultrasound images of the prostate are usually corrupted with intensity inhomogeneities, weak boundaries, and unwanted edges, which make the segmentation of the prostate an inherently difficult task. Regarding to these difficulties, the authors introduce an active band term and an edge descriptor term in the modified level set energy functional. The active band term is to deal with intensity inhomogeneities and the edge descriptor term is to capture the weak boundaries or to rule out unwanted boundaries. The level set function of the proposed model is updated in a band region around the zero level set which the authors call it an active band. The active band restricts the authors' method to utilize the local image information in a banded region around the prostate contour. Compared to traditional level set methods, the average intensities inside∖outside the zero level set are only computed in this banded region. Thus, only pixels in the active band have influence on the evolution of the level set. For weak boundaries, they are hard to be distinguished by human eyes, but in local patches in the band region around prostate boundaries, they are easier to be detected. The authors incorporate an edge descriptor to calculate the total intensity variation in a local patch paralleled to the normal direction of the zero level set, which can detect weak boundaries and avoid unwanted edges in the ultrasound images. The efficiency of the proposed model is demonstrated by experiments on real 3D volume images and 2D ultrasound images and comparisons with other approaches. Validation results on real 3D TRUS prostate images show that the authors' model can obtain a Dice similarity coefficient (DSC) of 94.03% ± 1.50% and a sensitivity of 93.16% ± 2.30%. Experiments on 100 typical 2D ultrasound images show that the authors' method can obtain a sensitivity of 94.87% ± 1.85% and a DSC of 95.82% ± 2.23%. A reproducibility experiment is done to evaluate the robustness of the proposed model. As far as the authors know, prostate segmentation from ultrasound images with weak boundaries and unwanted edges is a difficult task. A novel method using level sets with active band and the intensity variation across edges is proposed in this paper. Extensive experimental results demonstrate that the proposed method is more efficient and accurate.

Sticky ions in biological systems.

PubMed Central

Collins, K D

1995-01-01

Aqueous gel sieving chromatography on Sephadex G-10 of the Group IA cations (Li+, Na+, K+, Rb+, Cs+) plus NH4+ as the Cl- salts, in combination with previous results for the halide anions (F-, Cl-, Br-, I-) as the Na+ salts [Washabaugh, M.W. & Collins, K.D. (1986) J. Biol. Chem. 261, 12477-12485], leads to the following conclusions. (i) The small monovalent ions (Li+, Na+, F-) flow through the gel with water molecules attached, whereas the large monovalent ions (K+, Rb+, Cs+, Cl-, Br-, I-) adsorb to the nonpolar surface of the gel, a process requiring partial dehydration of the ion and implying that these ions bind the immediately adjacent water molecules weakly. (ii) The transition from strong to weak hydration occurs at a radius of about 1.78 A for the monovalent anions, compared with a radius of about 1.06 A for the monovalent cations (using ionic radii), indicating that the anions are more strongly hydrated than the cations for a given charge density. (iii) The anions show larger deviations from ideal behavior (an elution position corresponding to the anhydrous molecular weight) than do the cations and dominate the chromatographic behavior of the neutral salts. These results are interpreted to mean that weakly hydrated ions (chaotropes) are "pushed" onto weakly hydrated surfaces by strong water-water interactions and that the transition from strong ionic hydration to weak ionic hydration occurs where the strength of ion-water interactions approximately equals the strength of water-water interactions in bulk solution. PMID:7539920

Weak localization of magnons in chiral magnets

NASA Astrophysics Data System (ADS)

Evers, Martin; Müller, Cord A.; Nowak, Ulrich

2018-05-01

We report on the impact of the Dzyaloshinskii-Moriya interaction on the coherent backscattering of spin waves in a disordered magnetic material. This interaction breaks the inversion symmetry of the spin-wave dispersion relation, such that ωk=ω2 KI-k≠ω-k , where KI is related to the Dzyaloshinskii-Moriya vectors. The nonequivalence of k and -k also means that time-reversal symmetry is broken. As a result of numerical investigations we find that the backscattering peak of a wave packet with initial wave vector k0 shifts from -k0 to 2 KI-k0 , such that the backscattering wave vector and the initial wave vector are in general no longer antiparallel. The shifted coherence condition is explained by a diagrammatic approach and opens up an avenue to measure sign and magnitude of the Dzyaloshinskii-Moriya interaction in weakly disordered chiral magnets. Surprisingly, although time-reversal symmetry is broken, our system shows coherent backscattering as a manifestation of weak localization, which is due to the fact that reciprocity is still preserved.

Quantum counterfactual communication without a weak trace

NASA Astrophysics Data System (ADS)

Arvidsson-Shukur, D. R. M.; Barnes, C. H. W.

2016-12-01

The classical theories of communication rely on the assumption that there has to be a flow of particles from Bob to Alice in order for him to send a message to her. We develop a quantum protocol that allows Alice to perceive Bob's message "counterfactually"; that is, without Alice receiving any particles that have interacted with Bob. By utilizing a setup built on results from interaction-free measurements, we outline a communication protocol whereby the information travels in the opposite direction of the emitted particles. In comparison to previous attempts on such protocols, this one is such that a weak measurement at the message source would not leave a weak trace that could be detected by Alice's receiver. While some interaction-free schemes require a large number of carefully aligned beam splitters, our protocol is realizable with two or more beam splitters. We demonstrate this protocol by numerically solving the time-dependent Schrödinger equation for a Hamiltonian that implements this quantum counterfactual phenomenon.

Guided-mode interactions in thin films with surface corrugation

NASA Astrophysics Data System (ADS)

Seshadri, S. R.

1994-12-01

The guided modes in a thin-film planar dielectric waveguide sandwiched between a cover and a substrate (two different dielectrics) are considered. The interface between the cover and the film has a smooth corrugation in the longitudinal direction. For weak corrugations, the guided-mode interactions are investigated using the expansion in terms of ideal normal modes. A corresponding treament is given for the not-so-weak corrugations using the expansion in terms of local normal modes. The coupling coefficients are evaluated and reduced to simple forms. The theories are specialized for the treatment of contradirectional coupling between two guided modes taking place selectively in the neighborhood of the Bragg frequency. The coupled-mode equations governing the contradirectional interaction obtained from the local normal mode expansion procedure, in the limit of weak periodic corrugations, are identical to those deduced directly using the ideal normal mode expansion technique. The treatments for both the transverse electric and the transvers magnetic modes are included.

REMARKS ON COMPOUND MODELS, CONSERVED CURRENTS AND WEAK INTERACTIONS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mayer, M.E.

A discussion is given of some implications of a symmetry principle, conjectured by Gamba, Marshak, and Okubo (GMO), in connection with the compound models for elementary particles, and the interpretation of weak interactions by a heavy vector meson coupled to the conserved V and A currents of the fermions. GMO observed that, for weak interactions, the three baryons LAMBDA deg , n, p are equivalent to the leptons mu /sup -/, e/sup -/, nu in the sense that any reaction permitted or observed for one of the groups is permitted for the other and conversely, no reaction forbidden for onemore » is observed in the other. This permitted the extension of the notions of isospin and strangeness to leptons and led to the expression of the electric charge in terms of the isospin projection, T/sub 3/, and the baryon and lepton numbers B and L:. Q = T/sub 3/ + 1/2(S+ B -- L). (B.O.G.)« less

Effects of a Weakly Interacting Light U Boson on Protoneutron Stars Including the Hyperon-Hyperon Interactions

NASA Astrophysics Data System (ADS)

Yu, Zi; Xu, Yan; Zhang, Gui-Qing; Hu, Tao-Ping

2018-04-01

In the framework of the relativistic mean field theory including the hyperon-hyperon (YY) interactions, protoneutron stars with a weakly interacting light U boson are studied. The U-boson leads to the increase of the star maximum mass. The modification to the maximum mass by the U-boson with the strong YY interaction is larger than that with the weak YY interaction. The maximum mass of the protoneutron star is less sensitive to the U-boson than that of the neutron star. The inclusion of the U-boson narrows down the mass window for the hyperonized protoneutron stars. As g 2/μ 2 increases, the species of hyperons, which can appear in a stable protoneutron star decrease. The rotation frequency, the red shift, the momentum of inertia and the total neutrino fraction of PSR J1903-0327 are sensitive to the U-boson and change with g 2/μ 2 in an approximate linear trend. The possible way to constrain the coupling constants of the U-boson is discussed. Supported by Jiangsu Province Natural Science Foundation Youth Fund of China under Grant No. Bk20140982, National Natural Science Foundation of China under Grant No. 11447165, and Youth Innovation Promotion Association, Chinese Academy of Sciences under Grant No. 2016056, and the Development Project of Science and Technology of Jilin Province under Grant No. 20180520077JH

CH-π Interaction Driven Macroscopic Property Transition on Smart Polymer Surface

NASA Astrophysics Data System (ADS)

Li, Minmin; Qing, Guangyan; Xiong, Yuting; Lai, Yuekun; Sun, Taolei

2015-10-01

Life systems have evolved to utilize weak noncovalent interactions, particularly CH-π interaction, to achieve various biofunctions, for example cellular communication, immune response, and protein folding. However, for artificial materials, it remains a great challenge to recognize such weak interaction, further transform it into tunable macroscopic properties and realize special functions. Here we integrate monosaccharide-based CH-π receptor capable of recognizing aromatic peptides into a smart polymer with three-component “Recognition-Mediating-Function” design, and report the CH-π interaction driven surface property switching on smart polymer film, including wettability, adhesion, viscoelasticity and stiffness. Detailed studies indicate that, the CH-π interaction induces the complexation between saccharide unit and aromatic peptide, which breaks the initial amphiphilic balance of the polymer network, resulting in contraction-swelling conformational transition for polymer chains and subsequent dramatic switching in surface properties. This work not only presents a new approach to control the surface property of materials, but also points to a broader research prospect on CH-π interaction at a macroscopic level.

CH-π Interaction Driven Macroscopic Property Transition on Smart Polymer Surface.

PubMed

Li, Minmin; Qing, Guangyan; Xiong, Yuting; Lai, Yuekun; Sun, Taolei

2015-10-29

Life systems have evolved to utilize weak noncovalent interactions, particularly CH-π interaction, to achieve various biofunctions, for example cellular communication, immune response, and protein folding. However, for artificial materials, it remains a great challenge to recognize such weak interaction, further transform it into tunable macroscopic properties and realize special functions. Here we integrate monosaccharide-based CH-π receptor capable of recognizing aromatic peptides into a smart polymer with three-component "Recognition-Mediating-Function" design, and report the CH-π interaction driven surface property switching on smart polymer film, including wettability, adhesion, viscoelasticity and stiffness. Detailed studies indicate that, the CH-π interaction induces the complexation between saccharide unit and aromatic peptide, which breaks the initial amphiphilic balance of the polymer network, resulting in contraction-swelling conformational transition for polymer chains and subsequent dramatic switching in surface properties. This work not only presents a new approach to control the surface property of materials, but also points to a broader research prospect on CH-π interaction at a macroscopic level.

Nitrogen: A New Class of π-Bonding Partner in Hetero π-Stacking Interaction.

PubMed

Ramanathan, N; Sankaran, K; Sundararajan, K

2017-11-30

Spectroscopy under isolated conditions at low temperatures is an excellent tool to characterize the aggregates stabilized through weak interactions. Within the framework of weak interactions, the π-stacking interactions are considered unconventional with the limited experimental proofs, wherein the bonding associates are either aromatic and heterocyclic compounds or their combinations. Besides aromatic compounds, π-stacking networks can even be realized with molecules possessing electron rich π-clouds. In this work, the N 2 molecule as a possible π-bonding partner is explored for the first time in which hetero π-stacking was achieved between pyrrole and N 2 precursors. The matrix isolation experiments performed by seeding pyrrole and N 2 mixtures in an Ar matrix at low temperatures with subsequent infrared spectral characterization revealed the generation of adducts stabilized through a π(pyrrole)···π(N 2 ) interaction. Under identical conditions with the likelihood of two competing π-stacking and hydrogen-bonding interactions in pyrrole-N 2 associates, π-stacking dominates energetically over hydrogen-bonding interaction.

Improving analytical methods for protein-protein interaction through implementation of chemically inducible dimerization

PubMed Central

Andersen, Tonni Grube; Nintemann, Sebastian J.; Marek, Magdalena; Halkier, Barbara A.; Schulz, Alexander; Burow, Meike

2016-01-01

When investigating interactions between two proteins with complementary reporter tags in yeast two-hybrid or split GFP assays, it remains troublesome to discriminate true- from false-negative results and challenging to compare the level of interaction across experiments. This leads to decreased sensitivity and renders analysis of weak or transient interactions difficult to perform. In this work, we describe the development of reporters that can be chemically induced to dimerize independently of the investigated interactions and thus alleviate these issues. We incorporated our reporters into the widely used split ubiquitin-, bimolecular fluorescence complementation (BiFC)- and Förster resonance energy transfer (FRET)- based methods and investigated different protein-protein interactions in yeast and plants. We demonstrate the functionality of this concept by the analysis of weakly interacting proteins from specialized metabolism in the model plant Arabidopsis thaliana. Our results illustrate that chemically induced dimerization can function as a built-in control for split-based systems that is easily implemented and allows for direct evaluation of functionality. PMID:27282591

Hydrophobic interactions of sucralose with protein structures.

PubMed

Shukla, Nimesh; Pomarico, Enrico; Hecht, Cody J S; Taylor, Erika A; Chergui, Majed; Othon, Christina M

2018-02-01

Sucralose is a commonly employed artificial sweetener that appears to destabilize protein native structures. This is in direct contrast to the bio-preservative nature of its natural counterpart, sucrose, which enhances the stability of biomolecules against environmental stress. We have further explored the molecular interactions of sucralose as compared to sucrose to illuminate the origin of the differences in their bio-preservative efficacy. We show that the mode of interactions of sucralose and sucrose in bulk solution differ subtly through the use of hydration dynamics measurement and computational simulation. Sucralose does not appear to disturb the native state of proteins for moderate concentrations (<0.2 M) at room temperature. However, as the concentration increases, or in the thermally stressed state, sucralose appears to differ in its interactions with protein leading to the reduction of native state stability. This difference in interaction appears weak. We explored the difference in the preferential exclusion model using time-resolved spectroscopic techniques and observed that both molecules appear to be effective reducers of bulk hydration dynamics. However, the chlorination of sucralose appears to slightly enhance the hydrophobicity of the molecule, which reduces the preferential exclusion of sucralose from the protein-water interface. The weak interaction of sucralose with hydrophobic pockets on the protein surface differs from the behavior of sucrose. We experimentally followed up upon the extent of this weak interaction using isothermal titration calorimetry (ITC) measurements. We propose this as a possible origin for the difference in their bio-preservative properties. Copyright © 2017 Elsevier Inc. All rights reserved.

Crystal structures of (2E)-1-(3-bromo-thio-phen-2-yl)-3-(2-meth-oxy-phen-yl)prop-2-en-1-one and (2E)-1-(3-bromo-thio-phen-2-yl)-3-(3,4-di-meth-oxy-phen-yl)prop-2-en-1-one.

PubMed

Naik, Vasant S; Shettigar, Venkataraya; Berglin, Tyler S; Coburn, Jillian S; Jasinski, Jerry P; Yathirajan, Hemmige S

2015-08-01

In the mol-ecules of the title compounds, (2E)-1-(3-bromo-thio-phen-2-yl)-3-(2-meth-oxy-phen-yl)prop-2-en-1-one, C14H11BrO2S, (I), which crystallizes in the space group P-1 with four independent mol-ecules in the asymmetric unit (Z' = 8), and (2E)-1-(3-bromo-thio-phen-2-yl)-3-(3,4-di-meth-oxy-phen-yl)prop-2-en-1-one, C15H13BrO3S, (II), which crystallizes with Z' = 8 in the space group I2/a, the non-H atoms are nearly coplanar. The mol-ecules of (I) pack with inversion symmetry stacked diagonally along the a-axis direction. Weak C-H⋯Br intra-molecular inter-actions in each of the four mol-ecules in the asymmetric unit are observed. In (II), weak C-H⋯O, bifurcated three-center inter-molecular inter-actions forming dimers along with weak C-H⋯π and π-π stacking inter-actions are observed, linking the mol-ecules into sheets along [001]. A weak C-H⋯Br intra-molecular inter-action is also present. There are no classical hydrogen bonds present in either structure.

Numerical quadrature methods for integrals of singular periodic functions and their application to singular and weakly singular integral equations

NASA Technical Reports Server (NTRS)

Sidi, A.; Israeli, M.

1986-01-01

High accuracy numerical quadrature methods for integrals of singular periodic functions are proposed. These methods are based on the appropriate Euler-Maclaurin expansions of trapezoidal rule approximations and their extrapolations. They are used to obtain accurate quadrature methods for the solution of singular and weakly singular Fredholm integral equations. Such periodic equations are used in the solution of planar elliptic boundary value problems, elasticity, potential theory, conformal mapping, boundary element methods, free surface flows, etc. The use of the quadrature methods is demonstrated with numerical examples.

Finite element formulation with embedded weak discontinuities for strain localization under dynamic conditions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jin, Tao; Mourad, Hashem M.; Bronkhorst, Curt A.

Here, we present an explicit finite element formulation designed for the treatment of strain localization under highly dynamic conditions. We also used a material stability analysis to detect the onset of localization behavior. Finite elements with embedded weak discontinuities are employed with the aim of representing subsequent localized deformation accurately. The formulation and its algorithmic implementation are described in detail. Numerical results are presented to illustrate the usefulness of this computational framework in the treatment of strain localization under highly dynamic conditions, and to examine its performance characteristics in the context of two-dimensional plane-strain problems.

Finite element formulation with embedded weak discontinuities for strain localization under dynamic conditions

DOE PAGES

Jin, Tao; Mourad, Hashem M.; Bronkhorst, Curt A.; ...

2017-09-13

Here, we present an explicit finite element formulation designed for the treatment of strain localization under highly dynamic conditions. We also used a material stability analysis to detect the onset of localization behavior. Finite elements with embedded weak discontinuities are employed with the aim of representing subsequent localized deformation accurately. The formulation and its algorithmic implementation are described in detail. Numerical results are presented to illustrate the usefulness of this computational framework in the treatment of strain localization under highly dynamic conditions, and to examine its performance characteristics in the context of two-dimensional plane-strain problems.

Removing the Impact of Correlated PSF Uncertainties in Weak Lensing

NASA Astrophysics Data System (ADS)

Lu, Tianhuan; Zhang, Jun; Dong, Fuyu; Li, Yingke; Liu, Dezi; Fu, Liping; Li, Guoliang; Fan, Zuhui

2018-05-01

Accurate reconstruction of the spatial distributions of the point-spread function (PSF) is crucial for high precision cosmic shear measurements. Nevertheless, current methods are not good at recovering the PSF fluctuations of high spatial frequencies. In general, the residual PSF fluctuations are spatially correlated, and therefore can significantly contaminate the correlation functions of the weak lensing signals. We propose a method to correct for this contamination statistically, without any assumptions on the PSF and galaxy morphologies or their spatial distribution. We demonstrate our idea with the data from the W2 field of CFHTLenS.

Self-assembly of acetate adsorbates drives atomic rearrangement on the Au(110) surface

DOE PAGES

Hiebel, Fanny; Shong, Bonggeun; Chen, Wei; ...

2016-10-12

Weak inter-adsorbate interactions are shown to play a crucial role in determining surface structure, with major implications for its catalytic reactivity. This is exemplified here in the case of acetate bound to Au(110), where the small extra energy of the van der Waals interactions among the surface-bound groups drives massive restructuring of the underlying Au. Acetate is a key intermediate in electro-oxidation of CO 2 and a poison in partial oxidation reactions. Metal atom migration originates at surface defects and is likely facilitated by weakened Au–Au interactions due to bonding with the acetate. Even though the acetate is a relativelymore » small molecule, weak intermolecular interaction provides the energy required for molecular self-assembly and reorganization of the metal surface.« less

Self-assembly of acetate adsorbates drives atomic rearrangement on the Au(110) surface

PubMed Central

Hiebel, Fanny; Shong, Bonggeun; Chen, Wei; Madix, Robert J.; Kaxiras, Efthimios; Friend, Cynthia M.

2016-01-01

Weak inter-adsorbate interactions are shown to play a crucial role in determining surface structure, with major implications for its catalytic reactivity. This is exemplified here in the case of acetate bound to Au(110), where the small extra energy of the van der Waals interactions among the surface-bound groups drives massive restructuring of the underlying Au. Acetate is a key intermediate in electro-oxidation of CO2 and a poison in partial oxidation reactions. Metal atom migration originates at surface defects and is likely facilitated by weakened Au–Au interactions due to bonding with the acetate. Even though the acetate is a relatively small molecule, weak intermolecular interaction provides the energy required for molecular self-assembly and reorganization of the metal surface. PMID:27731407

Interplay of interaction and disorder in the steady state of an open quantum system

NASA Astrophysics Data System (ADS)

Xu, Xiansong; Guo, Chu; Poletti, Dario

2018-04-01

Many types of dissipative processes can be found in nature or be engineered, and their interplay with a system can give rise to interesting phases of matter. Here we study the interplay among interaction, tunneling, and disorder in the steady state of a spin chain coupled to a tailored bath. We consider a dissipation which, in contrast to disorder, tends to generate a homogeneously polarized steady state. We find that the steady state can be highly sensitive even to weak disorder. We also establish that, in the presence of such dissipation, even in the absence of interaction, a finite amount of disorder is needed for localization. Last, we show that for strong disorder the system reveals signatures of localization both in the weakly and strong interacting regimes.

Weak Fault Feature Extraction of Rolling Bearings Based on an Improved Kurtogram

PubMed Central

Chen, Xianglong; Feng, Fuzhou; Zhang, Bingzhi

2016-01-01

Kurtograms have been verified to be an efficient tool in bearing fault detection and diagnosis because of their superiority in extracting transient features. However, the short-time Fourier Transform is insufficient in time-frequency analysis and kurtosis is deficient in detecting cyclic transients. Those factors weaken the performance of the original kurtogram in extracting weak fault features. Correlated Kurtosis (CK) is then designed, as a more effective solution, in detecting cyclic transients. Redundant Second Generation Wavelet Packet Transform (RSGWPT) is deemed to be effective in capturing more detailed local time-frequency description of the signal, and restricting the frequency aliasing components of the analysis results. The authors in this manuscript, combining the CK with the RSGWPT, propose an improved kurtogram to extract weak fault features from bearing vibration signals. The analysis of simulation signals and real application cases demonstrate that the proposed method is relatively more accurate and effective in extracting weak fault features. PMID:27649171

Cerebellar ataxia: abnormal control of interaction torques across multiple joints.

PubMed

Bastian, A J; Martin, T A; Keating, J G; Thach, W T

1996-07-01

1. We studied seven subjects with cerebellar lesions and seven control subjects as they made reaching movements in the sagittal plane to a target directly in front of them. Reaches were made under three different conditions: 1) "slow-accurate," 2) "fast-accurate," and 3) "fast as possible." All subjects were videotaped moving in a sagittal plane with markers on the index finger, wrist, elbow, and shoulder. Marker positions were digitized and then used to calculate joint angles. For each of the shoulder, elbow and wrist joints, inverse dynamics equations based on a three-segment limb model were used to estimate the net torque (sum of components) and each of the component torques. The component torques consisted of the torque due to gravity, the dynamic interaction torques induced passively by the movement of the adjacent joint, and the torque produced by the muscles and passive tissue elements (sometimes called "residual" torque). 2. A kinematic analysis of the movement trajectory and the change in joint angles showed that the reaches of subjects with cerebellar lesions were abnormal compared with reaches of control subjects. In both the slow-accurate and fast-accurate conditions the cerebellar subjects made abnormally curved wrist paths; the curvature was greater in the slow-accurate condition. During the slow-accurate condition, cerebellar subjects showed target undershoot and tended to move one joint at a time (decomposition). During the fast-accurate reaches, the cerebellar subjects showed target overshoot. Additionally, in the fast-accurate condition, cerebellar subjects moved the joints at abnormal rates relative to one another, but the movements were less decomposed. Only three subjects were tested in the fast as possible condition; this condition was analyzed only to determine maximal reaching speeds of subjects with cerebellar lesions. Cerebellar subjects moved more slowly than controls in all three conditions. 3. A kinetic analysis of torques generated at each joint during the slow-accurate reaches and the fast-accurate reaches revealed that subjects with cerebellar lesions produced very different torque profiles compared with control subjects. In the slow-accurate condition, the cerebellar subjects produced abnormal elbow muscle torques that prevented the normal elbow extension early in the reach. In the fast-accurate condition, the cerebellar subjects produced inappropriate levels of shoulder muscle torque and also produced elbow muscle torques that did not very appropriately with the dynamic interaction torques that occurred at the elbow. Lack of appropriate muscle torque resulted in excessive contributions of the dynamic interaction torque during the fast-accurate reaches. 4. The inability to produce muscle torques that predict, accommodate, and compensate for the dynamic interaction torques appears to be an important cause of the classic kinematic deficits shown by cerebellar subjects during attempted reaching. These kinematic deficits include incoordination of the shoulder and the elbow joints, a curved trajectory, and overshoot. In the fast-accurate condition, cerebellar subjects often made inappropriate muscle torques relative to the dynamic interaction torques. Because of this, interaction torques often determined the pattern of incoordination of the elbow and shoulder that produced the curved trajectory and target overshoot. In the slow-accurate condition, we reason that the cerebellar subjects may use a decomposition strategy so as to simplify the movement and not have to control both joints simultaneously. From these results, we suggest that a major role of the cerebellum is in generating muscle torques at a joint that will predict the interaction torques being generated by other moving joints and compensate for them as they occur.

Report: Fiscal Years 2014 and 2013 Financial Statements for the Pesticides Reregistration and Expedited Processing Fund

EPA Pesticide Factsheets

Report #16-F-0322, September 22, 2016. Due to the material weakness in internal controls noted, EPA cannot provide reasonable assurance that financial data provided for the FIFRA Fund accurately reflect the agency’s financial activities and balances.

Report: Fiscal Years 2014 and 2013 Financial Statements for the Pesticide Registration Fund

EPA Pesticide Factsheets

Report #16-F-0323, Sept 22, 2016. Due to the material weakness in internal controls noted, EPA cannot provide reasonable assurance that financial data provided for the PRIA Fund for FY 2014 accurately reflect the agency’s financial activities and balances.

Report: Fiscal Years 2015 and 2014 Financial Statements for the Pesticides Reregistration and Expedited Processing Fund

EPA Pesticide Factsheets

Report #17-F-0314, July 10, 2017. Due to the material weakness in internal controls noted, the agency cannot provide reasonable assurance that financial data provided for the FIFRA Fund accurately reflect the agency’s financial activities and balances.

Report: Fiscal Years 2016 and 2015 Financial Statements for the Pesticides Reregistration and Expedited Processing Fund

EPA Pesticide Factsheets

Report #17-F-0364, August 14, 2017. Due to the material weakness in internal controls noted, the agency cannot provide reasonable assurance that financial data provided for the FIFRA Fund accurately reflect the agency’s financial activities and balances.

Interaction of proteins with weak amphoteric charged membrane surfaces: effect of pH.

PubMed

Matsumoto, Hidetoshi; Koyama, Yoshiyuki; Tanioka, Akihiko

2003-08-01

Weak amphoteric charged membranes were prepared by the graft copolymerization of poly(ethylene glycol) (PEG) derivatives with pendant ionizable groups onto polyethylene (PE) porous membranes. Two types of weak amphoteric charged membranes and two types of weak single charged membranes were prepared. The pH dependence of the protein (fluorescein isothiocyanate-labeled bovine serum albumin, FITC-BSA) adsorption onto the membranes was investigated by fluorescence spectroscopy. The interfacial charge properties of the membranes and protein were also characterized at different pH values by streaming potential and electrophoretic light scattering (ELS) measurements, respectively. The adsorbed amount onto each ionic PEG chain grafted membrane showed a uniform maximum value near the isoelectric point (IEP) of the protein (pH 4.1). On both sides of the IEP (pHs 3.3 and 7.2), the adsorption experiments and zeta (zeta) potential measurements were well correlated: the contribution of electrostatic interaction was dominant for the protein adsorption behavior. In the alkaline condition (pH 10.2), the adsorption experiments contradict the zeta potential measurements. It suggested that the conformational change of protein molecule influenced the adsorption behavior. Finally, these results indicated the potential of controlling the protein-ionic PEG chain interaction on the membrane surfaces by the pH adjustment of the outer solution.

Generalized Master Equation with Non-Markovian Multichromophoric Förster Resonance Energy Transfer for Modular Exciton Densities

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jang, Seogjoo; Hoyer, Stephan; Fleming, Graham

2014-10-31

A generalized master equation (GME) governing quantum evolution of modular exciton density (MED) is derived for large scale light harvesting systems composed of weakly interacting modules of multiple chromophores. The GME-MED offers a practical framework to incorporate real time coherent quantum dynamics calculations of small length scales into dynamics over large length scales, and also provides a non-Markovian generalization and rigorous derivation of the Pauli master equation employing multichromophoric Förster resonance energy transfer rates. A test of the GME-MED for four sites of the Fenna-Matthews-Olson complex demonstrates how coherent dynamics of excitonic populations over coupled chromophores can be accurately describedmore » by transitions between subgroups (modules) of delocalized excitons. Application of the GME-MED to the exciton dynamics between a pair of light harvesting complexes in purple bacteria demonstrates its promise as a computationally efficient tool to investigate large scale exciton dynamics in complex environments.« less

Analysis of Radiation-natural Convection Interactions in 1-g and low-g Environments using the Discrete Exchange Factor Method

NASA Technical Reports Server (NTRS)

Kassemi, M.; Naraghi, M. H. N.

1993-01-01

A new numerical method is presented for the analysis of combined natural convection and radiation heat transfer with applications in many engineering situations such as materials processing, combustion and fire research. Because of the recent interest in the low gravity environment of space, attention is devoted to both 1-g and low-g applications. The two-dimensional mathematical model is represented by a set of coupled nonlinear integro-partial differential equations. Radiative exchange is formulated using the Discrete Exchange Factor method (DEF). This method considers point to point exchange and provides accurate results over a wide range of radiation parameters. Numerical results show that radiation significantly influences the flow and heat transfer in both low-g and 1-g applications. In the low-g environment, convection is weak, and radiation can easily become the dominant heat transfer mode. It is also shown that volumetric heating by radiation gives rise to an intricate cell pattern in the top heated enclosure.

Wheat proteomics: proteome modulation and abiotic stress acclimation

PubMed Central

Komatsu, Setsuko; Kamal, Abu H. M.; Hossain, Zahed

2014-01-01

Cellular mechanisms of stress sensing and signaling represent the initial plant responses to adverse conditions. The development of high-throughput “Omics” techniques has initiated a new era of the study of plant molecular strategies for adapting to environmental changes. However, the elucidation of stress adaptation mechanisms in plants requires the accurate isolation and characterization of stress-responsive proteins. Because the functional part of the genome, namely the proteins and their post-translational modifications, are critical for plant stress responses, proteomic studies provide comprehensive information about the fine-tuning of cellular pathways that primarily involved in stress mitigation. This review summarizes the major proteomic findings related to alterations in the wheat proteomic profile in response to abiotic stresses. Moreover, the strengths and weaknesses of different sample preparation techniques, including subcellular protein extraction protocols, are discussed in detail. The continued development of proteomic approaches in combination with rapidly evolving bioinformatics tools and interactive databases will facilitate understanding of the plant mechanisms underlying stress tolerance. PMID:25538718

Nonlocal van der Waals functionals: The case of rare-gas dimers and solids

NASA Astrophysics Data System (ADS)

Tran, Fabien; Hutter, Jürg

2013-05-01

Recently, the nonlocal van der Waals (vdW) density functionals [M. Dion, H. Rydberg, E. Schröder, D. C. Langreth, and B. I. Lundqvist, Phys. Rev. Lett. 92, 246401 (2004), 10.1103/PhysRevLett.92.246401] have attracted considerable attention due to their good performance for systems where weak interactions are important. Since the physics of dispersion is included in these functionals, they are usually more accurate and show less erratic behavior than the semilocal and hybrid methods. In this work, several variants of the vdW functionals have been tested on rare-gas dimers (from He2 to Kr2) and solids (Ne, Ar, and Kr) and their accuracy compared to standard semilocal approximations, supplemented or not by an atom-pairwise dispersion correction [S. Grimme, J. Antony, S. Ehrlich, and H. Krieg, J. Chem. Phys. 132, 154104 (2010), 10.1063/1.3382344]. An analysis of the results in terms of energy decomposition is also provided.

Magnetic trapping of neutrons

PubMed

Huffman; Brome; Butterworth; Coakley; Dewey; Dzhosyuk; Golub; Greene; Habicht; Lamoreaux; Mattoni; McKinsey; Wietfeldt; Doyle

2000-01-06

Accurate measurement of the lifetime of the neutron (which is unstable to beta decay) is important for understanding the weak nuclear force and the creation of matter during the Big Bang. Previous measurements of the neutron lifetime have mainly been limited by certain systematic errors; however, these could in principle be avoided by performing measurements on neutrons stored in a magnetic trap. Neutral-particle and charged-particle traps are widely used for studying both composite and elementary particles, because they allow long interaction times and isolation of particles from perturbing environments. Here we report the magnetic trapping of neutrons. The trapping region is filled with superfluid 4He, which is used to load neutrons into the trap and as a scintillator to detect their decay. Neutrons in the trap have a lifetime of 750(+330)(-200) seconds, mainly limited by their beta decay rather than trap losses. Our experiment verifies theoretical predictions regarding the loading process and magnetic trapping of neutrons. Further refinement of this method should lead to improved precision in the neutron lifetime measurement.

The multi-layer multi-configuration time-dependent Hartree method for bosons: theory, implementation, and applications.

PubMed

Cao, Lushuai; Krönke, Sven; Vendrell, Oriol; Schmelcher, Peter

2013-10-07

We develop the multi-layer multi-configuration time-dependent Hartree method for bosons (ML-MCTDHB), a variational numerically exact ab initio method for studying the quantum dynamics and stationary properties of general bosonic systems. ML-MCTDHB takes advantage of the permutation symmetry of identical bosons, which allows for investigations of the quantum dynamics from few to many-body systems. Moreover, the multi-layer feature enables ML-MCTDHB to describe mixed bosonic systems consisting of arbitrary many species. Multi-dimensional as well as mixed-dimensional systems can be accurately and efficiently simulated via the multi-layer expansion scheme. We provide a detailed account of the underlying theory and the corresponding implementation. We also demonstrate the superior performance by applying the method to the tunneling dynamics of bosonic ensembles in a one-dimensional double well potential, where a single-species bosonic ensemble of various correlation strengths and a weakly interacting two-species bosonic ensemble are considered.

Density-functional calculations of transport properties in the nondegenerate limit and the role of electron-electron scattering

DOE PAGES

Desjarlais, Michael P.; Scullard, Christian R.; Benedict, Lorin X.; ...

2017-03-13

We compute electrical and thermal conductivities of hydrogen plasmas in the non-degenerate regime using Kohn-Sham Density Functional Theory (DFT) and an application of the Kubo- Greenwood response formula, and demonstrate that for thermal conductivity, the mean-field treatment of the electron-electron (e-e) interaction therein is insufficient to reproduce the weak-coupling limit obtained by plasma kinetic theories. An explicit e-e scattering correction to the DFT is posited by appealing to Matthiessen's Rule and the results of our computations of conductivities with the quantum Lenard-Balescu (QLB) equation. Further motivation of our correction is provided by an argument arising from the Zubarev quantum kineticmore » theory approach. Significant emphasis is placed on our efforts to produce properly converged results for plasma transport using Kohn-Sham DFT, so that an accurate assessment of the importance and efficacy of our e-e scattering corrections to the thermal conductivity can be made.« less

Weak antilocalization in Cd3As2 thin films

PubMed Central

Zhao, Bo; Cheng, Peihong; Pan, Haiyang; Zhang, Shuai; Wang, Baigeng; Wang, Guanghou; Xiu, Faxian; Song, Fengqi

2016-01-01

Recently, it has been theoretically predicted that Cd3As2 is a three dimensional Dirac material, a new topological phase discovered after topological insulators, which exhibits a linear energy dispersion in the bulk with massless Dirac fermions. Here, we report on the low-temperature magnetoresistance measurements on a ~50 nm-thick Cd3As2 film. The weak antilocalization under perpendicular magnetic field is discussed based on the two-dimensional Hikami-Larkin-Nagaoka (HLN) theory. The electron-electron interaction is addressed as the source of the dephasing based on the temperature-dependent scaling behavior. The weak antilocalization can be also observed while the magnetic field is parallel to the electric field due to the strong interaction between the different conductance channels in this quasi-two-dimensional film. PMID:26935029

Weak antilocalization in Cd3As2 thin films.

PubMed

Zhao, Bo; Cheng, Peihong; Pan, Haiyang; Zhang, Shuai; Wang, Baigeng; Wang, Guanghou; Xiu, Faxian; Song, Fengqi

2016-03-03

Recently, it has been theoretically predicted that Cd3As2 is a three dimensional Dirac material, a new topological phase discovered after topological insulators, which exhibits a linear energy dispersion in the bulk with massless Dirac fermions. Here, we report on the low-temperature magnetoresistance measurements on a ~50 nm-thick Cd3As2 film. The weak antilocalization under perpendicular magnetic field is discussed based on the two-dimensional Hikami-Larkin-Nagaoka (HLN) theory. The electron-electron interaction is addressed as the source of the dephasing based on the temperature-dependent scaling behavior. The weak antilocalization can be also observed while the magnetic field is parallel to the electric field due to the strong interaction between the different conductance channels in this quasi-two-dimensional film.

Eight supramolecular assemblies constructed from bis(benzimidazole) and organic acids through strong classical hydrogen bonding and weak noncovalent interactions

NASA Astrophysics Data System (ADS)

Jin, Shouwen; Wang, Daqi

2014-05-01

Eight crystalline organic acid-base adducts derived from alkane bridged bis(N-benzimidazole) and organic acids (2,4,6-trinitrophenol, p-nitrobenzoic acid, m-nitrobenzoic acid, 3,5-dinitrobenzoic acid, 5-sulfosalicylic acid and oxalic acid) were prepared and characterized by X-ray diffraction analysis, IR, mp, and elemental analysis. Of the eight compounds five are organic salts (1, 4, 6, 7 and 8) and the other three (2, 3, and 5) are cocrystals. In all of the adducts except 1 and 8, the ratio of the acid and the base is 2:1. All eight supramolecular assemblies involve extensive intermolecular classical hydrogen bonds as well as other noncovalent interactions. The role of weak and strong noncovalent interactions in the crystal packing is ascertained. These weak interactions combined, all the complexes displayed 3D framework structure. The results presented herein indicate that the strength and directionality of the classical N+-H⋯O-, O-H⋯O, and O-H⋯N hydrogen bonds (ionic or neutral) and other nonbonding associations between acids and ditopic benzimidazoles are sufficient to bring about the formation of cocrystals or organic salts.

Strength functions, entropies, and duality in weakly to strongly interacting fermionic systems.

PubMed

Angom, D; Ghosh, S; Kota, V K B

2004-01-01

We revisit statistical wave function properties of finite systems of interacting fermions in the light of strength functions and their participation ratio and information entropy. For weakly interacting fermions in a mean-field with random two-body interactions of increasing strength lambda, the strength functions F(k) (E) are well known to change, in the regime where level fluctuations follow Wigner's surmise, from Breit-Wigner to Gaussian form. We propose an ansatz for the function describing this transition which we use to investigate the participation ratio xi(2) and the information entropy S(info) during this crossover, thereby extending the known behavior valid in the Gaussian domain into much of the Breit-Wigner domain. Our method also allows us to derive the scaling law lambda(d) approximately 1/sqrt[m] ( m is number of fermions) for the duality point lambda= lambda(d), where F(k) (E), xi(2), and S(info) in both the weak ( lambda=0 ) and strong mixing ( lambda= infinity ) basis coincide. As an application, the ansatz function for strength functions is used in describing the Breit-Wigner to Gaussian transition seen in neutral atoms CeI to SmI with valence electrons changing from 4 to 8.

Interaction of proliferating cell nuclear antigen with PMS2 is required for MutLα activation and function in mismatch repair

PubMed Central

Genschel, Jochen; Kadyrova, Lyudmila Y.; Iyer, Ravi R.; Dahal, Basanta K.; Kadyrov, Farid A.; Modrich, Paul

2017-01-01

Eukaryotic MutLα (mammalian MLH1–PMS2 heterodimer; MLH1–PMS1 in yeast) functions in early steps of mismatch repair as a latent endonuclease that requires a mismatch, MutSα/β, and DNA-loaded proliferating cell nuclear antigen (PCNA) for activation. We show here that human PCNA and MutLα interact specifically but weakly in solution to form a complex of approximately 1:1 stoichiometry that depends on PCNA interaction with the C-terminal endonuclease domain of the MutLα PMS2 subunit. Amino acid substitution mutations within a PMS2 C-terminal 721QRLIAP motif attenuate or abolish human MutLα interaction with PCNA, as well as PCNA-dependent activation of MutLα endonuclease, PCNA- and DNA-dependent activation of MutLα ATPase, and MutLα function in in vitro mismatch repair. Amino acid substitution mutations within the corresponding yeast PMS1 motif (723QKLIIP) reduce or abolish mismatch repair in vivo. Coupling of a weak allele within this motif (723AKLIIP) with an exo1Δ null mutation, which individually confer only weak mutator phenotypes, inactivates mismatch repair in the yeast cell. PMID:28439008

Interaction of proliferating cell nuclear antigen with PMS2 is required for MutLα activation and function in mismatch repair.

PubMed

Genschel, Jochen; Kadyrova, Lyudmila Y; Iyer, Ravi R; Dahal, Basanta K; Kadyrov, Farid A; Modrich, Paul

2017-05-09

Eukaryotic MutLα (mammalian MLH1-PMS2 heterodimer; MLH1-PMS1 in yeast) functions in early steps of mismatch repair as a latent endonuclease that requires a mismatch, MutSα/β, and DNA-loaded proliferating cell nuclear antigen (PCNA) for activation. We show here that human PCNA and MutLα interact specifically but weakly in solution to form a complex of approximately 1:1 stoichiometry that depends on PCNA interaction with the C-terminal endonuclease domain of the MutLα PMS2 subunit. Amino acid substitution mutations within a PMS2 C-terminal 721 QRLIAP motif attenuate or abolish human MutLα interaction with PCNA, as well as PCNA-dependent activation of MutLα endonuclease, PCNA- and DNA-dependent activation of MutLα ATPase, and MutLα function in in vitro mismatch repair. Amino acid substitution mutations within the corresponding yeast PMS1 motif ( 723 QKLIIP) reduce or abolish mismatch repair in vivo. Coupling of a weak allele within this motif ( 723 AKLIIP) with an exo1 Δ null mutation, which individually confer only weak mutator phenotypes, inactivates mismatch repair in the yeast cell.

Scrambling in the quantum Lifshitz model

NASA Astrophysics Data System (ADS)

Plamadeala, Eugeniu; Fradkin, Eduardo

2018-06-01

We study signatures of chaos in the quantum Lifshitz model through out-of-time ordered correlators (OTOC) of current operators. This model is a free scalar field theory with dynamical critical exponent z  =  2. It describes the quantum phase transition in 2D systems, such as quantum dimer models, between a phase with a uniform ground state to another one with spontaneously broken translation invariance. At the lowest temperatures the chaotic dynamics are dominated by a marginally irrelevant operator which induces a temperature dependent stiffness term. The numerical computations of OTOC exhibit a non-zero Lyapunov exponent (LE) in a wide range of temperatures and interaction strengths. The LE (in units of temperature) is a weakly temperature-dependent function; it vanishes at weak interaction and saturates for strong interaction. The Butterfly velocity increases monotonically with interaction strength in the studied region while remaining smaller than the interaction-induced velocity/stiffness.

Validated MicroRNA Target Databases: An Evaluation.

PubMed

Lee, Yun Ji Diana; Kim, Veronica; Muth, Dillon C; Witwer, Kenneth W

2015-11-01

Preclinical Research Positive findings from preclinical and clinical studies involving depletion or supplementation of microRNA (miRNA) engender optimism about miRNA-based therapeutics. However, off-target effects must be considered. Predicting these effects is complicated. Each miRNA may target many gene transcripts, and the rules governing imperfectly complementary miRNA: target interactions are incompletely understood. Several databases provide lists of the relatively small number of experimentally confirmed miRNA: target pairs. Although incomplete, this information might allow assessment of at least some of the off-target effects. We evaluated the performance of four databases of experimentally validated miRNA: target interactions (miRWalk 2.0, miRTarBase, miRecords, and TarBase 7.0) using a list of 50 alphabetically consecutive genes. We examined the provided citations to determine the degree to which each interaction was experimentally supported. To assess stability, we tested at the beginning and end of a five-month period. Results varied widely by database. Two of the databases changed significantly over the course of 5 months. Most reported evidence for miRNA: target interactions were indirect or otherwise weak, and relatively few interactions were supported by more than one publication. Some returned results appear to arise from simplistic text searches that offer no insight into the relationship of the search terms, may not even include the reported gene or miRNA, and may thus, be invalid. We conclude that validation databases provide important information, but not all information in all extant databases is up-to-date or accurate. Nevertheless, the more comprehensive validation databases may provide useful starting points for investigation of off-target effects of proposed small RNA therapies. © 2015 Wiley Periodicals, Inc.

Relieving the tension between weak lensing and cosmic microwave background with interacting dark matter and dark energy models

NASA Astrophysics Data System (ADS)

An, Rui; Feng, Chang; Wang, Bin

2018-02-01

We constrain interacting dark matter and dark energy (IDMDE) models using a 450-degree-square cosmic shear data from the Kilo Degree Survey (KiDS) and the angular power spectra from Planck's latest cosmic microwave background measurements. We revisit the discordance problem in the standard Lambda cold dark matter (ΛCDM) model between weak lensing and Planck datasets and extend the discussion by introducing interacting dark sectors. The IDMDE models are found to be able to alleviate the discordance between KiDS and Planck as previously inferred from the ΛCDM model, and moderately favored by a combination of the two datasets.

Effects of Recipient Posture on Persuasion.

ERIC Educational Resources Information Center

Heesacker, Martin; Petty, Richard E.

Sixty-five female undergraduate students who were either standing or reclining listened to a tape-recorded counterattitudinal speech containing either strong or weak arguments. Their evaluations revealed a significant interaction between posture (standing or reclining) and quality of arguments (strong or weak) on a measure of attitude change.…

Cross-Cultural Investigation of Male Gait Perception in Relation to Physical Strength and Speed

PubMed Central

Fink, Bernhard; Wübker, Marieke; Ostner, Julia; Butovskaya, Marina L.; Mezentseva, Anna; Muñoz-Reyes, José Antonio; Sela, Yael; Shackelford, Todd K.

2017-01-01

Previous research documents that men and women can accurately judge male physical strength from gait, but also that the sexes differ in attractiveness judgments of strong and weak male walkers. Women’s (but not men’s) attractiveness assessments of strong male walkers are higher than for weak male walkers. Here, we extend this research to assessments of strong and weak male walkers in Chile, Germany, and Russia. Men and women judged videos of virtual characters, animated with the walk movements of motion-captured men, on strength and attractiveness. In two countries (Germany and Russia), these videos were additionally presented at 70% (slower) and 130% (faster) of their original speed. Stronger walkers were judged to be stronger and more attractive than weak walkers, and this effect was independent of country (but not sex). Women tended to provide higher attractiveness judgments to strong walkers, and men tended to provide higher attractiveness judgments to weak walkers. In addition, German and Russian participants rated strong walkers most attractive at slow and fast speed. Thus, across countries men and women can assess male strength from gait, although they tended to differ in attractiveness assessments of strong and weak male walkers. Attractiveness assessments of male gait may be influenced by society-specific emphasis on male physical strength. PMID:28878720

Biospecific protein immobilization for rapid analysis of weak protein interactions using self-interaction nanoparticle spectroscopy.

PubMed

Bengali, Aditya N; Tessier, Peter M

2009-10-01

"Reversible" protein interactions govern diverse biological behavior ranging from intracellular transport and toxic protein aggregation to protein crystallization and inactivation of protein therapeutics. Much less is known about weak protein interactions than their stronger counterparts since they are difficult to characterize, especially in a parallel format (in contrast to a sequential format) necessary for high-throughput screening. We have recently introduced a highly efficient approach of characterizing protein self-association, namely self-interaction nanoparticle spectroscopy (SINS; Tessier et al., 2008; J Am Chem Soc 130:3106-3112). This approach exploits the separation-dependent optical properties of gold nanoparticles to detect weak self-interactions between proteins immobilized on nanoparticles. A limitation of our previous work is that differences in the sequence and structure of proteins can lead to significant differences in their affinity to adsorb to nanoparticle surfaces, which complicates analysis of the corresponding protein self-association behavior. In this work we demonstrate a highly specific approach for coating nanoparticles with proteins using biotin-avidin interactions to generate protein-nanoparticle conjugates that report protein self-interactions through changes in their optical properties. Using lysozyme as a model protein that is refractory to characterization by conventional SINS, we demonstrate that surface Plasmon wavelengths for gold-avidin-lysozyme conjugates over a range of solution conditions (i.e., pH and ionic strength) are well correlated with lysozyme osmotic second virial coefficient measurements. Since SINS requires orders of magnitude less protein and time than conventional methods (e.g., static light scattering), we envision this approach will find application in large screens of protein self-association aimed at either preventing (e.g., protein aggregation) or promoting (e.g., protein crystallization) these interactions. (c) 2009 Wiley Periodicals, Inc.

Beam-Beam Study on the Upgrade of Beijing Electron Positron Collider

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, S.; /Beijing, Inst. High Energy Phys.; Cai, Y.

2006-02-10

It is an important issue to study the beam-beam interaction in the design and performance of such a high luminosity collider as BEPCII, the upgrade of Beijing Electron Positron Collider. The weak-strong simulation is generally used during the design of a collider. For performance a large scale tune scan, the weak-strong simulation studies on beam-beam interaction were done, and the geometry effects were taken into account. The strong-strong simulation studies were done for investigating the luminosity goal and the dependence of the luminosity on the beam parameters.

Dynamics in terahertz semiconductor microcavity: quantum noise spectra

NASA Astrophysics Data System (ADS)

Jabri, H.; Eleuch, H.

2018-05-01

We investigate the physics of an optical semiconductor microcavity containing a coupled double quantum well interacting with cavity photons. The photon statistics of the transmitted light by the cavity is explored. We show that the nonlinear interactions in the direct and indirect excitonic modes generate an important squeezing despite the weak nonlinearities. When the strong coupling regime is achieved, the noise spectra of the system is dominated by the indirect exciton distribution. At the opposite, in the weak regime, direct excitons contribute much larger in the noise spectra.

Pervasive Sound Sensing: A Weakly Supervised Training Approach.

PubMed

Kelly, Daniel; Caulfield, Brian

2016-01-01

Modern smartphones present an ideal device for pervasive sensing of human behavior. Microphones have the potential to reveal key information about a person's behavior. However, they have been utilized to a significantly lesser extent than other smartphone sensors in the context of human behavior sensing. We postulate that, in order for microphones to be useful in behavior sensing applications, the analysis techniques must be flexible and allow easy modification of the types of sounds to be sensed. A simplification of the training data collection process could allow a more flexible sound classification framework. We hypothesize that detailed training, a prerequisite for the majority of sound sensing techniques, is not necessary and that a significantly less detailed and time consuming data collection process can be carried out, allowing even a nonexpert to conduct the collection, labeling, and training process. To test this hypothesis, we implement a diverse density-based multiple instance learning framework, to identify a target sound, and a bag trimming algorithm, which, using the target sound, automatically segments weakly labeled sound clips to construct an accurate training set. Experiments reveal that our hypothesis is a valid one and results show that classifiers, trained using the automatically segmented training sets, were able to accurately classify unseen sound samples with accuracies comparable to supervised classifiers, achieving an average F -measure of 0.969 and 0.87 for two weakly supervised datasets.

Robust covariance estimation of galaxy-galaxy weak lensing: validation and limitation of jackknife covariance

NASA Astrophysics Data System (ADS)

Shirasaki, Masato; Takada, Masahiro; Miyatake, Hironao; Takahashi, Ryuichi; Hamana, Takashi; Nishimichi, Takahiro; Murata, Ryoma

2017-09-01

We develop a method to simulate galaxy-galaxy weak lensing by utilizing all-sky, light-cone simulations and their inherent halo catalogues. Using the mock catalogue to study the error covariance matrix of galaxy-galaxy weak lensing, we compare the full covariance with the 'jackknife' (JK) covariance, the method often used in the literature that estimates the covariance from the resamples of the data itself. We show that there exists the variation of JK covariance over realizations of mock lensing measurements, while the average JK covariance over mocks can give a reasonably accurate estimation of the true covariance up to separations comparable with the size of JK subregion. The scatter in JK covariances is found to be ∼10 per cent after we subtract the lensing measurement around random points. However, the JK method tends to underestimate the covariance at the larger separations, more increasingly for a survey with a higher number density of source galaxies. We apply our method to the Sloan Digital Sky Survey (SDSS) data, and show that the 48 mock SDSS catalogues nicely reproduce the signals and the JK covariance measured from the real data. We then argue that the use of the accurate covariance, compared to the JK covariance, allows us to use the lensing signals at large scales beyond a size of the JK subregion, which contains cleaner cosmological information in the linear regime.

Circular Regression in a Dual-Phase Lock-In Amplifier for Coherent Detection of Weak Signal

PubMed Central

Wang, Gaoxuan; Reboul, Serge; Fertein, Eric

2017-01-01

Lock-in amplification (LIA) is an effective approach for recovery of weak signal buried in noise. Determination of the input signal amplitude in a classical dual-phase LIA is based on incoherent detection which leads to a biased estimation at low signal-to-noise ratio. This article presents, for the first time to our knowledge, a new architecture of LIA involving phase estimation with a linear-circular regression for coherent detection. The proposed phase delay estimate, between the input signal and a reference, is defined as the maximum-likelihood of a set of observations distributed according to a von Mises distribution. In our implementation this maximum is obtained with a Newton Raphson algorithm. We show that the proposed LIA architecture provides an unbiased estimate of the input signal amplitude. Theoretical simulations with synthetic data demonstrate that the classical LIA estimates are biased for SNR of the input signal lower than −20 dB, while the proposed LIA is able to accurately recover the weak signal amplitude. The novel approach is applied to an optical sensor for accurate measurement of NO2 concentrations at the sub-ppbv level in the atmosphere. Side-by-side intercomparison measurements with a commercial LIA (SR830, Stanford Research Inc., Sunnyvale, CA, USA ) demonstrate that the proposed LIA has an identical performance in terms of measurement accuracy and precision but with simplified hardware architecture. PMID:29135951

Weighing the Giants - I. Weak-lensing masses for 51 massive galaxy clusters: project overview, data analysis methods and cluster images

NASA Astrophysics Data System (ADS)

von der Linden, Anja; Allen, Mark T.; Applegate, Douglas E.; Kelly, Patrick L.; Allen, Steven W.; Ebeling, Harald; Burchat, Patricia R.; Burke, David L.; Donovan, David; Morris, R. Glenn; Blandford, Roger; Erben, Thomas; Mantz, Adam

2014-03-01

This is the first in a series of papers in which we measure accurate weak-lensing masses for 51 of the most X-ray luminous galaxy clusters known at redshifts 0.15 ≲ zCl ≲ 0.7, in order to calibrate X-ray and other mass proxies for cosmological cluster experiments. The primary aim is to improve the absolute mass calibration of cluster observables, currently the dominant systematic uncertainty for cluster count experiments. Key elements of this work are the rigorous quantification of systematic uncertainties, high-quality data reduction and photometric calibration, and the `blind' nature of the analysis to avoid confirmation bias. Our target clusters are drawn from X-ray catalogues based on the ROSAT All-Sky Survey, and provide a versatile calibration sample for many aspects of cluster cosmology. We have acquired wide-field, high-quality imaging using the Subaru Telescope and Canada-France-Hawaii Telescope for all 51 clusters, in at least three bands per cluster. For a subset of 27 clusters, we have data in at least five bands, allowing accurate photometric redshift estimates of lensed galaxies. In this paper, we describe the cluster sample and observations, and detail the processing of the SuprimeCam data to yield high-quality images suitable for robust weak-lensing shape measurements and precision photometry. For each cluster, we present wide-field three-colour optical images and maps of the weak-lensing mass distribution, the optical light distribution and the X-ray emission. These provide insights into the large-scale structure in which the clusters are embedded. We measure the offsets between X-ray flux centroids and the brightest cluster galaxies in the clusters, finding these to be small in general, with a median of 20 kpc. For offsets ≲100 kpc, weak-lensing mass measurements centred on the brightest cluster galaxies agree well with values determined relative to the X-ray centroids; miscentring is therefore not a significant source of systematic uncertainty for our weak-lensing mass measurements. In accompanying papers, we discuss the key aspects of our photometric calibration and photometric redshift measurements (Kelly et al.), and measure cluster masses using two methods, including a novel Bayesian weak-lensing approach that makes full use of the photometric redshift probability distributions for individual background galaxies (Applegate et al.). In subsequent papers, we will incorporate these weak-lensing mass measurements into a self-consistent framework to simultaneously determine cluster scaling relations and cosmological parameters.

Comparing three sampling techniques for estimating fine woody down dead biomass

Treesearch

Robert E. Keane; Kathy Gray

2013-01-01

Designing woody fuel sampling methods that quickly, accurately and efficiently assess biomass at relevant spatial scales requires extensive knowledge of each sampling method's strengths, weaknesses and tradeoffs. In this study, we compared various modifications of three common sampling methods (planar intercept, fixed-area microplot and photoload) for estimating...

Computer Aided Evaluation of Higher Education Tutors' Performance

ERIC Educational Resources Information Center

Xenos, Michalis; Papadopoulos, Thanos

2007-01-01

This article presents a method for computer-aided tutor evaluation: Bayesian Networks are used for organizing the collected data about tutors and for enabling accurate estimations and predictions about future tutor behavior. The model provides indications about each tutor's strengths and weaknesses, which enables the evaluator to exploit strengths…

On the reliability of Fusarium oxysporum f. sp. niveum research: Do we need standardized testing methods?

USDA-ARS?s Scientific Manuscript database

Fusarium oxysporum f. sp. nivium (Fon) is a pathogen highly variable in aggressiveness that requires a standardized testing method to more accurately define isolate aggressiveness (races) and to identify resistant watermelon lines. Isolates of Fon vary in aggressiveness from weakly to highly aggres...

Fusion Center Guidelines: Developing and Sharing Information and Intelligence in a New Era

DTIC Science & Technology

2007-07-06

and recovery efforts depend on tmely, accurate, and actonable nformaton about who the enem es are,61 where 61 Includng ther capabltes...ntentons, strengths, weaknesses. and how they operate, how they are supported, the targets the enem es ntend to attack, and the method of attack

3D surface voxel tracing corrector for accurate bone segmentation.

PubMed

Guo, Haoyan; Song, Sicong; Wang, Jinke; Guo, Maozu; Cheng, Yuanzhi; Wang, Yadong; Tamura, Shinichi

2018-06-18

For extremely close bones, their boundaries are weak and diffused due to strong interaction between adjacent surfaces. These factors prevent the accurate segmentation of bone structure. To alleviate these difficulties, we propose an automatic method for accurate bone segmentation. The method is based on a consideration of the 3D surface normal direction, which is used to detect the bone boundary in 3D CT images. Our segmentation method is divided into three main stages. Firstly, we consider a surface tracing corrector combined with Gaussian standard deviation [Formula: see text] to improve the estimation of normal direction. Secondly, we determine an optimal value of [Formula: see text] for each surface point during this normal direction correction. Thirdly, we construct the 1D signal and refining the rough boundary along the corrected normal direction. The value of [Formula: see text] is used in the first directional derivative of the Gaussian to refine the location of the edge point along accurate normal direction. Because the normal direction is corrected and the value of [Formula: see text] is optimized, our method is robust to noise images and narrow joint space caused by joint degeneration. We applied our method to 15 wrists and 50 hip joints for evaluation. In the wrist segmentation, Dice overlap coefficient (DOC) of [Formula: see text]% was obtained by our method. In the hip segmentation, fivefold cross-validations were performed for two state-of-the-art methods. Forty hip joints were used for training in two state-of-the-art methods, 10 hip joints were used for testing and performing comparisons. The DOCs of [Formula: see text], [Formula: see text]%, and [Formula: see text]% were achieved by our method for the pelvis, the left femoral head and the right femoral head, respectively. Our method was shown to improve segmentation accuracy for several specific challenging cases. The results demonstrate that our approach achieved a superior accuracy over two state-of-the-art methods.

Dzyaloshinskii-Moriya interaction and magnetic anisotropies in Uranium compounds

NASA Astrophysics Data System (ADS)

Sandratskii, L. M.

2018-05-01

We report on the first-principles study of complex noncollinear magnetic structures in Uranium compounds. We contrast two cases. The first is the periodic magnetic structure of U2Pd2In with exactly orthogonal atomic moments, the second is an incommensurate plane spiral structure of UPtGe where the angle between atomic moments of nearest neighbors is also close to 90°. We demonstrate that the hierarchy of magnetic interactions leading to the formation of the magnetic structure is opposite in the two cases. In U2Pd2In, the magnetic anisotropy plays the leading role, followed by the Dzyaloshinskii-Moriya interaction (DMI) interaction specifying the chirality of the structure. Here, the interatomic exchange interaction does not play important role. In UPtGe the hierarchy of the interactions is opposite. The leading interaction is the interatomic exchange interaction responsible for the formation of the incommensurate spiral structure followed by the DMI responsible for the selected chirality of the helix. The magnetic anisotropy is very weak that is a prerequisite for keeping the distortion of the helical structure weak.

The DES Science Verification Weak Lensing Shear Catalogs

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jarvis, M.

We present weak lensing shear catalogs for 139 square degrees of data taken during the Science Verification (SV) time for the new Dark Energy Camera (DECam) being used for the Dark Energy Survey (DES). We describe our object selection, point spread function estimation and shear measurement procedures using two independent shear pipelines, IM3SHAPE and NGMIX, which produce catalogs of 2.12 million and 3.44 million galaxies respectively. We also detail a set of null tests for the shear measurements and find that they pass the requirements for systematic errors at the level necessary for weak lensing science applications using the SVmore » data. Furthermore, we discuss some of the planned algorithmic improvements that will be necessary to produce sufficiently accurate shear catalogs for the full 5-year DES, which is expected to cover 5000 square degrees.« less

The DES Science Verification Weak Lensing Shear Catalogs

DOE PAGES

Jarvis, M.

2016-05-01

We present weak lensing shear catalogs for 139 square degrees of data taken during the Science Verification (SV) time for the new Dark Energy Camera (DECam) being used for the Dark Energy Survey (DES). We describe our object selection, point spread function estimation and shear measurement procedures using two independent shear pipelines, IM3SHAPE and NGMIX, which produce catalogs of 2.12 million and 3.44 million galaxies respectively. We also detail a set of null tests for the shear measurements and find that they pass the requirements for systematic errors at the level necessary for weak lensing science applications using the SVmore » data. Furthermore, we discuss some of the planned algorithmic improvements that will be necessary to produce sufficiently accurate shear catalogs for the full 5-year DES, which is expected to cover 5000 square degrees.« less

Precise ro-vibrational analysis of molecular bands forbidden in absorption: The ν8 +ν10 band of the 12C2H4 molecule

NASA Astrophysics Data System (ADS)

Ulenikov, O. N.; Gromova, O. V.; Bekhtereva, E. S.; Kashirina, N. V.; Bauerecker, S.; Horneman, V.-M.

2015-07-01

The highly accurate (experimental accuracy in line positions ∼ (1 - 2) ×10-4 cm-1) ro-vibrational spectrum of the ν8 +ν10 band of the 12C2H4 molecule was recorded for the first time with high resolution Fourier transform spectrometry and analyzed in the region of 1650-1950 cm-1 using the Hamiltonian model which takes into account Coriolis resonance interactions between the studied ν8 +ν10 band, which is forbidden in absorption, and the bands ν4 +ν8 and ν7 +ν8 . About 1570 transitions belonging to the ν8 +ν10 band were assigned in the experimental spectra with the maximum values of quantum numbers Jmax. = 35 and Kamax . = 18 . On that basis, a set of 38 vibrational, rotational, centrifugal distortion, and resonance interaction parameters was obtained from the fit. They reproduce values of 598 initial "experimental" ro-vibrational energy levels (positions of about 1570 experimentally recorded and assigned transitions) with the rms error drms = 0.00045 cm-1 (drms = 0.00028 cm-1 when upper ro-vibrational energies obtained from blended and very weak transitions were deleted from the fit).

First-Principles Monte Carlo Simulations of Reaction Equilibria in Compressed Vapors

PubMed Central

2016-01-01

Predictive modeling of reaction equilibria presents one of the grand challenges in the field of molecular simulation. Difficulties in the study of such systems arise from the need (i) to accurately model both strong, short-ranged interactions leading to the formation of chemical bonds and weak interactions arising from the environment, and (ii) to sample the range of time scales involving frequent molecular collisions, slow diffusion, and infrequent reactive events. Here we present a novel reactive first-principles Monte Carlo (RxFPMC) approach that allows for investigation of reaction equilibria without the need to prespecify a set of chemical reactions and their ideal-gas equilibrium constants. We apply RxFPMC to investigate a nitrogen/oxygen mixture at T = 3000 K and p = 30 GPa, i.e., conditions that are present in atmospheric lightning strikes and explosions. The RxFPMC simulations show that the solvation environment leads to a significantly enhanced NO concentration that reaches a maximum when oxygen is present in slight excess. In addition, the RxFPMC simulations indicate the formation of NO2 and N2O in mole fractions approaching 1%, whereas N3 and O3 are not observed. The equilibrium distributions obtained from the RxFPMC simulations agree well with those from a thermochemical computer code parametrized to experimental data. PMID:27413785

Numerical investigation of internal high-speed viscous flows using a parabolic technique

NASA Technical Reports Server (NTRS)

Anderson, O. L.; Power, G. D.

1985-01-01

A feasibility study has been conducted to assess the applicability of an existing parabolic analysis (ADD-Axisymmetric Diffuser Duct), developed previously for subsonic viscous internal flows, to mixed supersonic/subsonic flows with heat addition simulating a SCRAMJET combustor. A study was conducted with the ADD code modified to include additional convection effects in the normal momentum equation when supersonic expansion and compression waves are present. A set of test problems with weak shock and expansion waves have been analyzed with this modified ADD method and stable and accurate solutions were demonstrated provided the streamwise step size was maintained at levels larger than the boundary layer displacement thickness. Calculations made with further reductions in step size encountered departure solutions consistent with strong interaction theory. Calculations were also performed for a flow field with a flame front in which a specific heat release was imposed to simulate a SCRAMJET combustor. In this case the flame front generated relatively thick shear layers which aggravated the departure solution problem. Qualitatively correct results were obtained for these cases using a marching technique with the convective terms in the normal momentum equation suppressed. It is concluded from the present study that for the class of problems where strong viscous/inviscid interactions are present a global iteration procedure is required.

Analytical description of lateral binding force exerted on bi-sphere induced by high-order Bessel beams

NASA Astrophysics Data System (ADS)

Bai, J.; Wu, Z. S.; Ge, C. X.; Li, Z. J.; Qu, T.; Shang, Q. C.

2018-07-01

Based on the generalized multi-particle Mie equation (GMM) and Electromagnetic Momentum (EM) theory, the lateral binding force (BF) exerted on bi-sphere induced by an arbitrary polarized high-order Bessel beam (HOBB) is investigated with particular emphasis on the half-conical angle of the wave number components and the order (or topological charge) of the beam. The illuminating HOBB with arbitrary polarization angle is described in terms of beam shape coefficients (BSCs) within the framework of generalized Lorenz-Mie theories (GLMT). Utilizing the vector addition theorem of the spherical vector wave functions (SVWFs), the interactive scattering coefficients are derived through the continuous boundary conditions on which the interaction of the bi-sphere is considered. Numerical effects of various parameters such as beam polarization angles, incident wavelengths, particle sizes, material losses and the refractive index, including the cases of weak, moderate, and strong than the surrounding medium are numerically analyzed in detail. The observed dependence of the separation of optically bound particles on the incidence of HOBB is in agreement with earlier theoretical prediction. Accurate investigation of BF induced by HOBB could provide an effective test for further research on BF between more complex particles, which plays an important role in using optical manipulation on particle self-assembly.

Shell models of magnetohydrodynamic turbulence

NASA Astrophysics Data System (ADS)

Plunian, Franck; Stepanov, Rodion; Frick, Peter

2013-02-01

Shell models of hydrodynamic turbulence originated in the seventies. Their main aim was to describe the statistics of homogeneous and isotropic turbulence in spectral space, using a simple set of ordinary differential equations. In the eighties, shell models of magnetohydrodynamic (MHD) turbulence emerged based on the same principles as their hydrodynamic counter-part but also incorporating interactions between magnetic and velocity fields. In recent years, significant improvements have been made such as the inclusion of non-local interactions and appropriate definitions for helicities. Though shell models cannot account for the spatial complexity of MHD turbulence, their dynamics are not over simplified and do reflect those of real MHD turbulence including intermittency or chaotic reversals of large-scale modes. Furthermore, these models use realistic values for dimensionless parameters (high kinetic and magnetic Reynolds numbers, low or high magnetic Prandtl number) allowing extended inertial range and accurate dissipation rate. Using modern computers it is difficult to attain an inertial range of three decades with direct numerical simulations, whereas eight are possible using shell models. In this review we set up a general mathematical framework allowing the description of any MHD shell model. The variety of the latter, with their advantages and weaknesses, is introduced. Finally we consider a number of applications, dealing with free-decaying MHD turbulence, dynamo action, Alfvén waves and the Hall effect.

Weird Science: Teaching Composition in an Antifoundational World.

ERIC Educational Resources Information Center

Bernard-Donals, Michael

The antifoundational or "hermeneutic" paradigm, particularly as it has been internalized by the field of composition studies, exists in a weak version or a strong version. The weak version stresses interactive consensus-building pedagogical practices where discourse is remade by negotiating it with others. The strong version suggests…

Interparticle interactions effects on the magnetic order in surface of FeO4 nanoparticles.

PubMed

Lima, E; Vargas, J M; Rechenberg, H R; Zysler, R D

2008-11-01

We report interparticle interactions effects on the magnetic structure of the surface region in Fe3O4 nanoparticles. For that, we have studied a desirable system composed by Fe3O4 nanoparticles with (d) = 9.3 nm and a narrow size distribution. These particles present an interesting morphology constituted by a crystalline core and a broad (approximately 50% vol.) disordered superficial shell. Two samples were prepared with distinct concentrations of the particles: weakly-interacting particles dispersed in a polymer and strongly-dipolar-interacting particles in a powder sample. M(H, T) measurements clearly show that strong dipolar interparticle interaction modifies the magnetic structure of the structurally disordered superficial shell. Consequently, we have observed drastically distinct thermal behaviours of magnetization and susceptibility comparing weakly- and strongly-interacting samples for the temperature range 2 K < T < 300 K. We have also observed a temperature-field dependence of the hysteresis loops of the dispersed sample that is not observed in the hysteresis loops of the powder one.

Social interactions between live and artificial weakly electric fish: Electrocommunication and locomotor behavior of Mormyrus rume proboscirostris towards a mobile dummy fish

PubMed Central

Kirschbaum, Frank; von der Emde, Gerhard

2017-01-01

Mormyrid weakly electric fish produce short, pulse-type electric organ discharges for actively probing their environment and to communicate with conspecifics. Animals emit sequences of pulse-trains that vary in overall frequency and temporal patterning and can lead to time-locked interactions with the discharge activity of other individuals. Both active electrolocation and electrocommunication are additionally accompanied by stereotypical locomotor patterns. However, the concrete roles of electrical and locomotor patterns during social interactions in mormyrids are not well understood. Here we used a mobile fish dummy that was emitting different types of electrical playback sequences to study following behavior and interaction patterns (electrical and locomotor) between individuals of weakly electric fish. We confronted single individuals of Mormyrus rume proboscirostris with a mobile dummy fish designed to attract fish from a shelter and recruit them into an open area by emitting electrical playbacks of natural discharge sequences. We found that fish were reliably recruited by the mobile dummy if it emitted electrical signals and followed it largely independently of the presented playback patterns. While following the dummy, fish interacted with it spatially by displaying stereotypical motor patterns, as well as electrically, e.g. through discharge regularizations and by synchronizing their own discharge activity to the playback. However, the overall emission frequencies of the dummy were not adopted by the following fish. Instead, social signals based on different temporal patterns were emitted depending on the type of playback. In particular, double pulses were displayed in response to electrical signaling of the dummy and their expression was positively correlated with an animals' rank in the dominance hierarchy. Based on additional analysis of swimming trajectories and stereotypical locomotor behavior patterns, we conclude that the reception and emission of electrical communication signals play a crucial role in mediating social interactions in mormyrid weakly electric fish. PMID:28902915

Reliability of chemotherapy preparation processes: Evaluating independent double-checking and computer-assisted gravimetric control.

PubMed

Carrez, Laurent; Bouchoud, Lucie; Fleury-Souverain, Sandrine; Combescure, Christophe; Falaschi, Ludivine; Sadeghipour, Farshid; Bonnabry, Pascal

2017-03-01

Background and objectives Centralized chemotherapy preparation units have established systematic strategies to avoid errors. Our work aimed to evaluate the accuracy of manual preparations associated with different control methods. Method A simulation study in an operational setting used phenylephrine and lidocaine as markers. Each operator prepared syringes that were controlled using a different method during each of three sessions (no control, visual double-checking, and gravimetric control). Eight reconstitutions and dilutions were prepared in each session, with variable doses and volumes, using different concentrations of stock solutions. Results were analyzed according to qualitative (choice of stock solution) and quantitative criteria (accurate, <5% deviation from the target concentration; weakly accurate, 5%-10%; inaccurate, 10%-30%; wrong, >30% deviation). Results Eleven operators carried out 19 sessions. No final preparation (n = 438) contained a wrong drug. The protocol involving no control failed to detect 1 of 3 dose errors made and double-checking failed to detect 3 of 7 dose errors. The gravimetric control method detected all 5 out of 5 dose errors. The accuracy of the doses measured was equivalent across the control methods ( p = 0.63 Kruskal-Wallis). The final preparations ranged from 58% to 60% accurate, 25% to 27% weakly accurate, 14% to 17% inaccurate and 0.9% wrong. A high variability was observed between operators. Discussion Gravimetric control was the only method able to detect all dose errors, but it did not improve dose accuracy. A dose accuracy with <5% deviation cannot always be guaranteed using manual production. Automation should be considered in the future.

The Charm and Beauty of Strong Interactions

NASA Astrophysics Data System (ADS)

El-Bennich, Bruno

2018-01-01

We briefly review common features and overlapping issues in hadron and flavor physics focussing on continuum QCD approaches to heavy bound states, their mass spectrum and weak decay constants in different strong interaction models.

Genetics Home Reference: nemaline myopathy

MedlinePlus

... nemaline myopathy interact within the sarcomere to facilitate muscle contraction. When the skeletal muscle cells of people with ... The disorganized proteins cannot interact normally, which disrupts muscle contraction. Inefficient muscle contraction leads to muscle weakness and ...

Data Visualization Saliency Model: A Tool for Evaluating Abstract Data Visualizations

DOE PAGES

Matzen, Laura E.; Haass, Michael J.; Divis, Kristin M.; ...

2017-08-29

Evaluating the effectiveness of data visualizations is a challenging undertaking and often relies on one-off studies that test a visualization in the context of one specific task. Researchers across the fields of data science, visualization, and human-computer interaction are calling for foundational tools and principles that could be applied to assessing the effectiveness of data visualizations in a more rapid and generalizable manner. One possibility for such a tool is a model of visual saliency for data visualizations. Visual saliency models are typically based on the properties of the human visual cortex and predict which areas of a scene havemore » visual features (e.g. color, luminance, edges) that are likely to draw a viewer's attention. While these models can accurately predict where viewers will look in a natural scene, they typically do not perform well for abstract data visualizations. In this paper, we discuss the reasons for the poor performance of existing saliency models when applied to data visualizations. We introduce the Data Visualization Saliency (DVS) model, a saliency model tailored to address some of these weaknesses, and we test the performance of the DVS model and existing saliency models by comparing the saliency maps produced by the models to eye tracking data obtained from human viewers. In conclusion, we describe how modified saliency models could be used as general tools for assessing the effectiveness of visualizations, including the strengths and weaknesses of this approach.« less

Data Visualization Saliency Model: A Tool for Evaluating Abstract Data Visualizations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Matzen, Laura E.; Haass, Michael J.; Divis, Kristin M.

Evaluating the effectiveness of data visualizations is a challenging undertaking and often relies on one-off studies that test a visualization in the context of one specific task. Researchers across the fields of data science, visualization, and human-computer interaction are calling for foundational tools and principles that could be applied to assessing the effectiveness of data visualizations in a more rapid and generalizable manner. One possibility for such a tool is a model of visual saliency for data visualizations. Visual saliency models are typically based on the properties of the human visual cortex and predict which areas of a scene havemore » visual features (e.g. color, luminance, edges) that are likely to draw a viewer's attention. While these models can accurately predict where viewers will look in a natural scene, they typically do not perform well for abstract data visualizations. In this paper, we discuss the reasons for the poor performance of existing saliency models when applied to data visualizations. We introduce the Data Visualization Saliency (DVS) model, a saliency model tailored to address some of these weaknesses, and we test the performance of the DVS model and existing saliency models by comparing the saliency maps produced by the models to eye tracking data obtained from human viewers. In conclusion, we describe how modified saliency models could be used as general tools for assessing the effectiveness of visualizations, including the strengths and weaknesses of this approach.« less

Interactive calculation procedures for mixed compression inlets

NASA Technical Reports Server (NTRS)

Reshotko, Eli

1983-01-01

The proper design of engine nacelle installations for supersonic aircraft depends on a sophisticated understanding of the interactions between the boundary layers and the bounding external flows. The successful operation of mixed external-internal compression inlets depends significantly on the ability to closely control the operation of the internal compression portion of the inlet. This portion of the inlet is one where compression is achieved by multiple reflection of oblique shock waves and weak compression waves in a converging internal flow passage. However weak these shocks and waves may seem gas-dynamically, they are of sufficient strength to separate a laminar boundary layer and generally even strong enough for separation or incipient separation of the turbulent boundary layers. An understanding was developed of the viscous-inviscid interactions and of the shock wave boundary layer interactions and reflections.

Tunneling Time and Weak Measurement in Strong Field Ionization.

PubMed

Zimmermann, Tomáš; Mishra, Siddhartha; Doran, Brent R; Gordon, Daniel F; Landsman, Alexandra S

2016-06-10

Tunneling delays represent a hotly debated topic, with many conflicting definitions and little consensus on when and if such definitions accurately describe the physical observables. Here, we relate these different definitions to distinct experimental observables in strong field ionization, finding that two definitions, Larmor time and Bohmian time, are compatible with the attoclock observable and the resonance lifetime of a bound state, respectively. Both of these definitions are closely connected to the theory of weak measurement, with Larmor time being the weak measurement value of tunneling time and Bohmian trajectory corresponding to the average particle trajectory, which has been recently reconstructed using weak measurement in a two-slit experiment [S. Kocsis, B. Braverman, S. Ravets, M. J. Stevens, R. P. Mirin, L. K. Shalm, and A. M. Steinberg, Science 332, 1170 (2011)]. We demonstrate a big discrepancy in strong field ionization between the Bohmian and weak measurement values of tunneling time, and we suggest this arises because the tunneling time is calculated for a small probability postselected ensemble of electrons. Our results have important implications for the interpretation of experiments in attosecond science, suggesting that tunneling is unlikely to be an instantaneous process.

Critical exponents and universal magnetic behavior of noncentrosymmetric Fe0.6Co0.4Si

NASA Astrophysics Data System (ADS)

Shanmukharao Samatham, S.; Suresh, K. G.

2018-05-01

The critical magnetic properties of a non-centrosymmetric B20 cubic helimagnet Fe0.6Co0.4Si are investigated using magnetization isotherms. It belongs to the 3D-Heisenberg universality class with short range magnetic coupling as inferred from the self-consistent critical exponents , , and in combination with exchange interaction . Itinerant magnetic nature of the compound is realized by the Rhodes–Wholfarth analysis. Field-induced weak first (parahelical) to second (parafield-polarized) order transition is reported to occur at low critical field due to the weak spin–orbit coupling arising from the weak Dzyaloshinksii–Moriya interactions. Our study suggests the distinct phenomenological magnetic structures for Fe-based cubic magnets (Fe1‑x Co x Si and FeGe) and MnSi which cause contrasting physical properties.

Partially composite particle physics with and without supersymmetry

NASA Astrophysics Data System (ADS)

Kramer, Thomas A.

Theories in which the Standard Model fields are partially compositeness provide elegant and phenomenologically viable solutions to the Hierarchy Problem. In this thesis we will study types of models from two different perspectives. We first derive an effective field theory describing the interactions of the Standard Models fields with their lightest composite partners based on two weakly coupled sectors. Technically, via the AdS/CFT correspondence, our model is dual to a highly deconstructed theory with a single warped extra-dimension. This two sector theory provides a simplified approach to the phenomenology of this important class of theories. We then use this effective field theoretic approach to study models with weak scale accidental supersymmetry. Particularly, we will investigate the possibility that the Standard Model Higgs field is a member of a composite supersymmetric sector interacting weakly with the known Standard Model fields.

Can biological homochirality result from a phase transition?

PubMed

Figureau, A; Duval, E; Boukenter, A

1995-06-01

The problem of chiral purity in living organisms is still one of the prominent difficulties in the study of the origins of life. In particular the parity non-conservation known to occur in weak interactions could not be related to this lack of symmetry: these physical forces, though universal, are very weak and up to now no amplification process had been proposed. In 1991, A. Salam remarked that, due to the attractive character of the parity violating force in electro-weak interactions, a phase transition at low temperature should exist, leading eventually to enantiomeric purity. We undertook then a series of experimental tests, looking for a sizeable change in the optical activity of cystine molecules. We found no evidence for the phase transition down to 0.01 K. The interpretation of these negative results will be discussed, and future experiments proposed.

Weak Interactions Govern the Viscosity of Concentrated Antibody Solutions: High-Throughput Analysis Using the Diffusion Interaction Parameter

PubMed Central

Connolly, Brian D.; Petry, Chris; Yadav, Sandeep; Demeule, Barthélemy; Ciaccio, Natalie; Moore, Jamie M.R.; Shire, Steven J.; Gokarn, Yatin R.

2012-01-01

Weak protein-protein interactions are thought to modulate the viscoelastic properties of concentrated antibody solutions. Predicting the viscoelastic behavior of concentrated antibodies from their dilute solution behavior is of significant interest and remains a challenge. Here, we show that the diffusion interaction parameter (kD), a component of the osmotic second virial coefficient (B2) that is amenable to high-throughput measurement in dilute solutions, correlates well with the viscosity of concentrated monoclonal antibody (mAb) solutions. We measured the kD of 29 different mAbs (IgG1 and IgG4) in four different solvent conditions (low and high ion normality) and found a linear dependence between kD and the exponential coefficient that describes the viscosity concentration profiles (|R| ≥ 0.9). Through experimentally measured effective charge measurements, under low ion normality where the electroviscous effect can dominate, we show that the mAb solution viscosity is poorly correlated with the mAb net charge (|R| ≤ 0.6). With this large data set, our results provide compelling evidence in support of weak intermolecular interactions, in contrast to the notion that the electroviscous effect is important in governing the viscoelastic behavior of concentrated mAb solutions. Our approach is particularly applicable as a screening tool for selecting mAbs with desirable viscosity properties early during lead candidate selection. PMID:22828333

J. J. Sakurai Prize: Astrophysics, Cosmology and PQ Symmetry--Linking the Very Small and the Very Large

NASA Astrophysics Data System (ADS)

Quinn, Helen

2013-04-01

The symmetry between the laws of physics for matter and those for antimatter (technically known as CP symmetry) is broken in the weak interaction but maintained to a high level of precision in the strong interaction. In the context of the Standard Model theory of particles and their interactions this is a puzzle --what protects the strong interaction from being more ``infected'' by the lack of a symmetry of the weak interaction? I will review the history of the idea we had to solve this puzzle, its consequences, and its evolution into the versions still viable today. Our answer to this puzzle, adding a further symmetry now known as PQ symmetry, arose from thinking about the effects of quark-Higgs couplings as in the early Universe, in the phase transition that gives quarks their masses. Not only did this modification of the Standard Model arise from cosmological thinking, it turns out to have possible cosmological consequences in the form of a light, weakly-coupled particle known as the axion, a possible dark matter candidate. Furthermore astrophysical constraints on such a particle have played a role in the subsequent evolution of theories with PQ symmetry. I will review the early history of this fascinating linkage of large scale and small scale physics, leaving later developments for my collaborator and co-recipient of this prize, Roberto Peccei, to talk about.

Randomly organized lipids and marginally stable proteins: a coupling of weak interactions to optimize membrane signaling.

PubMed

Rice, Anne M; Mahling, Ryan; Fealey, Michael E; Rannikko, Anika; Dunleavy, Katie; Hendrickson, Troy; Lohese, K Jean; Kruggel, Spencer; Heiling, Hillary; Harren, Daniel; Sutton, R Bryan; Pastor, John; Hinderliter, Anne

2014-09-01

Eukaryotic lipids in a bilayer are dominated by weak cooperative interactions. These interactions impart highly dynamic and pliable properties to the membrane. C2 domain-containing proteins in the membrane also interact weakly and cooperatively giving rise to a high degree of conformational plasticity. We propose that this feature of weak energetics and plasticity shared by lipids and C2 domain-containing proteins enhance a cell's ability to transduce information across the membrane. We explored this hypothesis using information theory to assess the information storage capacity of model and mast cell membranes, as well as differential scanning calorimetry, carboxyfluorescein release assays, and tryptophan fluorescence to assess protein and membrane stability. The distribution of lipids in mast cell membranes encoded 5.6-5.8bits of information. More information resided in the acyl chains than the head groups and in the inner leaflet of the plasma membrane than the outer leaflet. When the lipid composition and information content of model membranes were varied, the associated C2 domains underwent large changes in stability and denaturation profile. The C2 domain-containing proteins are therefore acutely sensitive to the composition and information content of their associated lipids. Together, these findings suggest that the maximum flow of signaling information through the membrane and into the cell is optimized by the cooperation of near-random distributions of membrane lipids and proteins. This article is part of a Special Issue entitled: Interfacially Active Peptides and Proteins. Guest Editors: William C. Wimley and Kalina Hristova. Copyright © 2014 Elsevier B.V. All rights reserved.

pH-responsive ion transport in polyelectrolyte multilayers of poly(diallyldimethylammonium chloride) (PDADMAC) and poly(4-styrenesulfonic acid-co-maleic acid) (PSS-MA) bearing strong- and weak anionic groups.

PubMed

Maza, Eliana; Tuninetti, Jimena S; Politakos, Nikolaos; Knoll, Wolfgang; Moya, Sergio; Azzaroni, Omar

2015-11-28

The layer-by-layer construction of interfacial architectures displaying stimuli-responsive control of mass transport is attracting increasing interest in materials science. In this work, we describe the creation of interfacial architectures displaying pH-dependent ionic transport properties which until now have not been observed in polyelectrolyte multilayers. We describe a novel approach to create pH-controlled ion-rectifying systems employing polyelectrolyte multilayers assembled from a copolymer containing both weakly and strongly charged pendant groups, poly(4-styrenesulfonic acid-co-maleic acid) (PSS-MA), alternately deposited with poly(diallyldimethylammonium chloride) (PDADMAC). The conceptual framework is based on the very contrasting and differential interactions of PSS and MA units with PDADMAC. In our setting, sulfonate groups play a structural role by conferring stability to the multilayer due to the strong electrostatic interactions with the polycations, while the weakly interacting MA groups remain "silent" within the film and then act as on-demand pH-responsive units. When these multilayers are combined with a strong cationic capping layer that repels the passage of cationic probes, a pH-gateable rectified transport of anions is observed. Concomitantly, we also observed that these functional properties are significantly affected when multilayers are subjected to extensive pH cycling as a consequence of irreversible morphological changes taking place in the film. We envision that the synergy derived from combining weak and strong interactions within the same multilayer will play a key role in the construction of new interfacial architectures displaying tailorable ion transport properties.

The Born-Oppenheimer molecular simulations of infrared spectra of crystalline poly-(R)-3-hydroxybutyrate with analysis of weak Csbnd H⋯Odbnd C hydrogen bonds

NASA Astrophysics Data System (ADS)

Brela, Mateusz Z.; Boczar, Marek; Wójcik, Marek J.; Sato, Harumi; Nakajima, Takahito; Ozaki, Yukihiro

2017-06-01

In this letter we present results of study of weak Csbnd H⋯Odbnd C hydrogen bonds of crystalline poly-(R)-3-hydroxybutyrate (PHB) by using Born-Oppenheimer molecular dynamics. The polymeric structure and IR spectra of PHB result from the presence of the weak hydrogen bonds. We applied the post-molecular dynamics analysis to consider a Cdbnd O motion as indirectly involved in the hydrogen bonds. Quantization of the nuclear motion of the oxygens was done to perform detailed analysis of the strength and properties of the Cdbnd O bands involved in the weak hydrogen bonds. We have also shown the dynamic character of the weak hydrogen bond interactions.

Literature review of models on tire-pavement interaction noise

NASA Astrophysics Data System (ADS)

Li, Tan; Burdisso, Ricardo; Sandu, Corina

2018-04-01

Tire-pavement interaction noise (TPIN) becomes dominant at speeds above 40 km/h for passenger vehicles and 70 km/h for trucks. Several models have been developed to describe and predict the TPIN. However, these models do not fully reveal the physical mechanisms or predict TPIN accurately. It is well known that all the models have both strengths and weaknesses, and different models fit different investigation purposes or conditions. The numerous papers that present these models are widely scattered among thousands of journals, and it is difficult to get the complete picture of the status of research in this area. This review article aims at presenting the history and current state of TPIN models systematically, making it easier to identify and distribute the key knowledge and opinions, and providing insight into the future research trend in this field. In this work, over 2000 references related to TPIN were collected, and 74 models were reviewed from nearly 200 selected references; these were categorized into deterministic models (37), statistical models (18), and hybrid models (19). The sections explaining the models are self-contained with key principles, equations, and illustrations included. The deterministic models were divided into three sub-categories: conventional physics models, finite element and boundary element models, and computational fluid dynamics models; the statistical models were divided into three sub-categories: traditional regression models, principal component analysis models, and fuzzy curve-fitting models; the hybrid models were divided into three sub-categories: tire-pavement interface models, mechanism separation models, and noise propagation models. At the end of each category of models, a summary table is presented to compare these models with the key information extracted. Readers may refer to these tables to find models of their interest. The strengths and weaknesses of the models in different categories were then analyzed. Finally, the modeling trend and future direction in this area are given.

A study of single-meson production in neutrino and antineutrino charged-current interactions on protons

NASA Astrophysics Data System (ADS)

Allen, P.; Grässler, H.; Schulte, R.; Jones, G. T.; Kennedy, B. W.; O'Neale, S. W.; Gebel, W.; Hofmann, E.; Klein, H.; Mittendorfer, J.; Morrison, D. R. O.; Schmid, P.; Wachsmuth, H.; Barnham, K. W. J.; Clayton, E. F.; Hamisi, F.; Miller, D. B.; Mobayyen, M. M.; Aderholz, M.; Deck, L.; Schmitz, N.; Wittek, W.; Corrigan, G.; Myatt, G.; Radojicic, D.; Saitta, B.; Shotton, P. N.; Towers, S. J.; Aachen-Birmingham-Bonn-CERN-London IC-Munich (MPI)-Oxford Collaboration

1986-01-01

We present results on exclusive single-charged pion and kaon production in neutrino and antineutrino interactions on protons in the energy range from 5 to 120 GeV. The data were obtained from exposures of BEBC to wide band beams at the CERN SPS. For invariant masses of the (pπ) system below 2 GeV, the pions originate predominantly from decays of baryon resonances excited by the weak charged current. Similarly, we observe the production of Λ(1520) decaying into p and K -. For invariant masses above 2 GeV pion production becomes peripheral by interaction of the weak current with a virtual π0. We establish a contribution of longitudinally polarised intermediate vector bosons to this process.

Some peculiarities of interactions of weakly bound lithium nuclei at near-barrier energies

NASA Astrophysics Data System (ADS)

Kabyshev, A. M.; Kuterbekov, K. A.; Sobolev, Yu G.; Penionzhkevich, Yu E.; Kubenova, M. M.; Azhibekov, A. K.; Mukhambetzhan, A. M.; Lukyanov, S. M.; Maslov, V. A.; Kabdrakhimova, G. D.

2018-02-01

This paper presents new experimental data on the total cross sections of 9Li + 28Si reactions at low energies as well as the analysis of previously obtained data for 6,7Li. Based on a large collection of data (authors’ and literature data) we carried out a comparative analysis of the two main experimental interaction cross sections (angular distributions of the differential cross sections and total reaction cross sections) for weakly bound lithium (6-9Li, 11Li) nuclei in the framework of Kox parameterization and the macroscopic optical model. We identified specific features of these interactions and predicted the experimental trend in the total reaction cross sections for Li isotopes at energies close to the Coulomb barrier.

Weak incident shock interactions with Mach 8 laminar boundary layers. [of flat plate

NASA Technical Reports Server (NTRS)

Kaufman, L. G., II; Johnson, C. B.

1974-01-01

Weak shock-wave interactions with boundary layers on a flat plate were investigated experimentally in Mach 8 variable-density tunnel for plate-length Reynolds numbers. The undisturbed boundary layers were laminar over the entire plate length. Pressure and heat-transfer distributions were obtained for wedge-generated incident shock waves that resulted in pressure rises ranging from 1.36 to 4.46 (both nonseparated and separated boundary-layer flows). The resulting heat-transfer amplifications ranged from 1.45 to 14. The distributions followed established trends for nonseparated flows, for incipient separation, and for laminar free-interaction pressure rises. The experimental results corroborated established trends for the extent of the pressure rise and for certain peak heat-transfer correlations.

A novel model of interaction between high frequency electromagnetic non-ionizing fields and microtubules viewed as coupled two-degrees of freedom harmonic oscillators.

PubMed

Caligiuri, Luigi Maxmilian

2015-01-01

The question regarding the potential biological and adverse health effects of non-ionizing electromagnetic fields on living organisms is of primary importance in biophysics and medicine. Despite the several experimental evidences showing such occurrence in a wide frequency range from extremely low frequency to microwaves, a definitive theoretical model able to explain a possible mechanism of interaction between electromagnetic fields and living matter, especially in the case of weak and very weak intensities, is still missing. In this paper it has been suggested a possible mechanism of interaction involving the resonant absorption of electromagnetic radiation by microtubules. To this aim these have been modeled as non-dissipative forced harmonic oscillators characterized by two coupled "macroscopic" degrees of freedom, respectively describing longitudinal and transversal vibrations induced by the electromagnetic field. We have shown that the proposed model, although at a preliminary stage, is able to explain the ability of even weak electromagnetic radiating electromagnetic fields to transfer high quantities of energy to living systems by means of a resonant mechanism, so capable to easily damage microtubules structure.

Weakly and strongly coupled Belousov-Zhabotinsky patterns.

PubMed

Weiss, Stephan; Deegan, Robert D

2017-02-01

We investigate experimentally and numerically the synchronization of two-dimensional spiral wave patterns in the Belousov-Zhabotinsky reaction due to point-to-point coupling of two separate domains. Different synchronization modalities appear depending on the coupling strength and the initial patterns in each domain. The behavior as a function of the coupling strength falls into two qualitatively different regimes. The weakly coupled regime is characterized by inter-domain interactions that distorted but do not break wave fronts. Under weak coupling, spiral cores are pushed around by wave fronts in the other domain, resulting in an effective interaction between cores in opposite domains. In the case where each domain initially contains a single spiral, the cores form a bound pair and orbit each other at quantized distances. When the starting patterns consist of multiple randomly positioned spiral cores, the number of cores decreases with time until all that remains are a few cores that are synchronized with a partner in the other domain. The strongly coupled regime is characterized by interdomain interactions that break wave fronts. As a result, the wave patterns in both domains become identical.

Weakly and strongly coupled Belousov-Zhabotinsky patterns

NASA Astrophysics Data System (ADS)

Weiss, Stephan; Deegan, Robert D.

2017-02-01

We investigate experimentally and numerically the synchronization of two-dimensional spiral wave patterns in the Belousov-Zhabotinsky reaction due to point-to-point coupling of two separate domains. Different synchronization modalities appear depending on the coupling strength and the initial patterns in each domain. The behavior as a function of the coupling strength falls into two qualitatively different regimes. The weakly coupled regime is characterized by inter-domain interactions that distorted but do not break wave fronts. Under weak coupling, spiral cores are pushed around by wave fronts in the other domain, resulting in an effective interaction between cores in opposite domains. In the case where each domain initially contains a single spiral, the cores form a bound pair and orbit each other at quantized distances. When the starting patterns consist of multiple randomly positioned spiral cores, the number of cores decreases with time until all that remains are a few cores that are synchronized with a partner in the other domain. The strongly coupled regime is characterized by interdomain interactions that break wave fronts. As a result, the wave patterns in both domains become identical.

Development of an Anatomically Accurate Finite Element Human Ocular Globe Model for Blast-Related Fluid-Structure Interaction Studies

DTIC Science & Technology

2017-02-01

ARL-TR-7945 ● FEB 2017 US Army Research Laboratory Development of an Anatomically Accurate Finite Element Human Ocular Globe...ARL-TR-7945 ● FEB 2017 US Army Research Laboratory Development of an Anatomically Accurate Finite Element Human Ocular Globe Model... Finite Element Human Ocular Globe Model for Blast-Related Fluid-Structure Interaction Studies 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM

The Strength of Strong Ties for Older Rural Adults: Regional Distinctions in the Relationship between Social Interaction and Subjective Well-Being

ERIC Educational Resources Information Center

Mair, Christine A.; Thivierge-Rikard, R. V.

2010-01-01

Classic and contemporary sociological theories suggest that social interaction differs in rural and urban areas. Intimate, informal interactions (strong ties) are theorized to characterize rural areas while urban areas may possess more formal and rationalized interactions (weak ties). Aging and social support literature stresses social interaction…

An experimental test of a fundamental food web motif.

PubMed

Rip, Jason M K; McCann, Kevin S; Lynn, Denis H; Fawcett, Sonia

2010-06-07

Large-scale changes to the world's ecosystem are resulting in the deterioration of biostructure-the complex web of species interactions that make up ecological communities. A difficult, yet crucial task is to identify food web structures, or food web motifs, that are the building blocks of this baroque network of interactions. Once identified, these food web motifs can then be examined through experiments and theory to provide mechanistic explanations for how structure governs ecosystem stability. Here, we synthesize recent ecological research to show that generalist consumers coupling resources with different interaction strengths, is one such motif. This motif amazingly occurs across an enormous range of spatial scales, and so acts to distribute coupled weak and strong interactions throughout food webs. We then perform an experiment that illustrates the importance of this motif to ecological stability. We find that weak interactions coupled to strong interactions by generalist consumers dampen strong interaction strengths and increase community stability. This study takes a critical step by isolating a common food web motif and through clear, experimental manipulation, identifies the fundamental stabilizing consequences of this structure for ecological communities.

Segmentation of prostate from ultrasound images using level sets on active band and intensity variation across edges

PubMed Central

Li, Xu; Li, Chunming; Fedorov, Andriy; Kapur, Tina; Yang, Xiaoping

2016-01-01

Purpose: In this paper, the authors propose a novel efficient method to segment ultrasound images of the prostate with weak boundaries. Segmentation of the prostate from ultrasound images with weak boundaries widely exists in clinical applications. One of the most typical examples is the diagnosis and treatment of prostate cancer. Accurate segmentation of the prostate boundaries from ultrasound images plays an important role in many prostate-related applications such as the accurate placement of the biopsy needles, the assignment of the appropriate therapy in cancer treatment, and the measurement of the prostate volume. Methods: Ultrasound images of the prostate are usually corrupted with intensity inhomogeneities, weak boundaries, and unwanted edges, which make the segmentation of the prostate an inherently difficult task. Regarding to these difficulties, the authors introduce an active band term and an edge descriptor term in the modified level set energy functional. The active band term is to deal with intensity inhomogeneities and the edge descriptor term is to capture the weak boundaries or to rule out unwanted boundaries. The level set function of the proposed model is updated in a band region around the zero level set which the authors call it an active band. The active band restricts the authors’ method to utilize the local image information in a banded region around the prostate contour. Compared to traditional level set methods, the average intensities inside∖outside the zero level set are only computed in this banded region. Thus, only pixels in the active band have influence on the evolution of the level set. For weak boundaries, they are hard to be distinguished by human eyes, but in local patches in the band region around prostate boundaries, they are easier to be detected. The authors incorporate an edge descriptor to calculate the total intensity variation in a local patch paralleled to the normal direction of the zero level set, which can detect weak boundaries and avoid unwanted edges in the ultrasound images. Results: The efficiency of the proposed model is demonstrated by experiments on real 3D volume images and 2D ultrasound images and comparisons with other approaches. Validation results on real 3D TRUS prostate images show that the authors’ model can obtain a Dice similarity coefficient (DSC) of 94.03% ± 1.50% and a sensitivity of 93.16% ± 2.30%. Experiments on 100 typical 2D ultrasound images show that the authors’ method can obtain a sensitivity of 94.87% ± 1.85% and a DSC of 95.82% ± 2.23%. A reproducibility experiment is done to evaluate the robustness of the proposed model. Conclusions: As far as the authors know, prostate segmentation from ultrasound images with weak boundaries and unwanted edges is a difficult task. A novel method using level sets with active band and the intensity variation across edges is proposed in this paper. Extensive experimental results demonstrate that the proposed method is more efficient and accurate. PMID:27277056

Tunnel ionization of atoms and molecules: How accurate are the weak-field asymptotic formulas?

NASA Astrophysics Data System (ADS)

Labeye, Marie; Risoud, François; Maquet, Alfred; Caillat, Jérémie; Taïeb, Richard

2018-05-01

Weak-field asymptotic formulas for the tunnel ionization rate of atoms and molecules in strong laser fields are often used for the analysis of strong field recollision experiments. We investigate their accuracy and domain of validity for different model systems by confronting them to exact numerical results, obtained by solving the time dependent Schrödinger equation. We find that corrections that take the dc-Stark shift into account are a simple and efficient way to improve the formula. Furthermore, analyzing the different approximations used, we show that error compensation plays a crucial role in the fair agreement between exact and analytical results.

Teleportation of a Weak Coherent Cavity Field State

NASA Astrophysics Data System (ADS)

Cardoso, Wesley B.; Qiang, Wen-Chao; Avelar, Ardiley T.

2016-07-01

In this paper we propose a scheme to teleport a weak coherent cavity field state. The scheme relies on the resonant atom-field interaction inside a high-Q cavity. The mean photon-number of the cavity field is assumed much smaller than one, hence the field decay inside the cavity can be effectively suppressed.

Gossip and Distributed Kalman Filtering: Weak Consensus Under Weak Detectability

NASA Astrophysics Data System (ADS)

Kar, Soummya; Moura, José M. F.

2011-04-01

The paper presents the gossip interactive Kalman filter (GIKF) for distributed Kalman filtering for networked systems and sensor networks, where inter-sensor communication and observations occur at the same time-scale. The communication among sensors is random; each sensor occasionally exchanges its filtering state information with a neighbor depending on the availability of the appropriate network link. We show that under a weak distributed detectability condition: 1. the GIKF error process remains stochastically bounded, irrespective of the instability properties of the random process dynamics; and 2. the network achieves \\emph{weak consensus}, i.e., the conditional estimation error covariance at a (uniformly) randomly selected sensor converges in distribution to a unique invariant measure on the space of positive semi-definite matrices (independent of the initial state.) To prove these results, we interpret the filtered states (estimates and error covariances) at each node in the GIKF as stochastic particles with local interactions. We analyze the asymptotic properties of the error process by studying as a random dynamical system the associated switched (random) Riccati equation, the switching being dictated by a non-stationary Markov chain on the network graph.

Higgs gravitational interaction, weak boson scattering, and Higgs inflation in Jordan and Einstein frames

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ren, Jing; Xianyu, Zhong-Zhi; He, Hong-Jian, E-mail: jingren2004@gmail.com, E-mail: xianyuzhongzhi@gmail.com, E-mail: hjhe@tsinghua.edu.cn

2014-06-01

We study gravitational interaction of Higgs boson through the unique dimension-4 operator ξH{sup †}HR, with H  the Higgs doublet and R  the Ricci scalar curvature. We analyze the effect of this dimensionless nonminimal coupling ξ  on weak gauge boson scattering in both Jordan and Einstein frames. We explicitly establish the longitudinal-Goldstone equivalence theorem with nonzero ξ coupling in both frames, and analyze the unitarity constraints. We study the ξ-induced weak boson scattering cross sections at O(1−30) TeV scales, and propose to probe the Higgs-gravity coupling via weak boson scattering experiments at the LHC (14 TeV) and the next generation ppmore » colliders (50-100 TeV). We further extend our study to Higgs inflation, and quantitatively derive the perturbative unitarity bounds via coupled channel analysis, under large field background at the inflation scale. We analyze the unitarity constraints on the parameter space in both the conventional Higgs inflation and the improved models in light of the recent BICEP2 data.« less

Estimating Water and Heat Fluxes with a Four-dimensional Weak-constraint Variational Data Assimilation Approach

NASA Astrophysics Data System (ADS)

Bateni, S. M.; Xu, T.

2015-12-01

Accurate estimation of water and heat fluxes is required for irrigation scheduling, weather prediction, and water resources planning and management. A weak-constraint variational data assimilation (WC-VDA) scheme is developed to estimate water and heat fluxes by assimilating sequences of land surface temperature (LST) observations. The commonly used strong-constraint VDA systems adversely affect the accuracy of water and heat flux estimates as they assume the model is perfect. The WC-VDA approach accounts for structural and model errors and generates more accurate results via adding a model error term into the surface energy balance equation. The two key unknown parameters of the WC-VDA system (i.e., CHN, the bulk heat transfer coefficient and EF, evaporative fraction) and the model error term are optimized by minimizing the cost function. The WC-VDA model was tested at two sites with contrasting hydrological and vegetative conditions: the Daman site (a wet site located in an oasis area and covered by seeded corn) and the Huazhaizi site (a dry site located in a desert area and covered by sparse grass) in middle stream of Heihe river basin, northwest China. Compared to the strong-constraint VDA system, the WC-VDA method generates more accurate estimates of water and energy fluxes over the desert and oasis sites with dry and wet conditions.

A More Accurate and Efficient Technique Developed for Using Computational Methods to Obtain Helical Traveling-Wave Tube Interaction Impedance

NASA Technical Reports Server (NTRS)

Kory, Carol L.

1999-01-01

The phenomenal growth of commercial communications has created a great demand for traveling-wave tube (TWT) amplifiers. Although the helix slow-wave circuit remains the mainstay of the TWT industry because of its exceptionally wide bandwidth, until recently it has been impossible to accurately analyze a helical TWT using its exact dimensions because of the complexity of its geometrical structure. For the first time, an accurate three-dimensional helical model was developed that allows accurate prediction of TWT cold-test characteristics including operating frequency, interaction impedance, and attenuation. This computational model, which was developed at the NASA Lewis Research Center, allows TWT designers to obtain a more accurate value of interaction impedance than is possible using experimental methods. Obtaining helical slow-wave circuit interaction impedance is an important part of the design process for a TWT because it is related to the gain and efficiency of the tube. This impedance cannot be measured directly; thus, conventional methods involve perturbing a helical circuit with a cylindrical dielectric rod placed on the central axis of the circuit and obtaining the difference in resonant frequency between the perturbed and unperturbed circuits. A mathematical relationship has been derived between this frequency difference and the interaction impedance (ref. 1). However, because of the complex configuration of the helical circuit, deriving this relationship involves several approximations. In addition, this experimental procedure is time-consuming and expensive, but until recently it was widely accepted as the most accurate means of determining interaction impedance. The advent of an accurate three-dimensional helical circuit model (ref. 2) made it possible for Lewis researchers to fully investigate standard approximations made in deriving the relationship between measured perturbation data and interaction impedance. The most prominent approximations made in the analysis were addressed and fully investigated for their accuracy by using the three-dimensional electromagnetic simulation code MAFIA (Solution of Maxwell's Equations by the Finite Integration Algorithm) (refs. 3 and 4). We found that several approximations introduced significant error (ref. 5).

Electromagnetic Education in India

ERIC Educational Resources Information Center

Bajpai, Shrish; Asif, Siddiqui Sajida; Akhtar, Syed Adnan

2016-01-01

Out of the four fundamental interactions in nature, electromagnetics is one of them along with gravitation, strong interaction and weak interaction. The field of electromagnetics has made much of the modern age possible. Electromagnets are common in day-to-day appliances and are becoming more conventional as the need for technology increases.…

Elevated nitrogen allows the weak invasive plant Galinsoga quadriradiata to become more vigorous with respect to inter-specific competition.

PubMed

Liu, Gang; Yang, Ying-Bo; Zhu, Zhi-Hong

2018-02-16

Elevated nitrogen associated with global change is believed to promote the invasion of many vigorous exotic plants. However, it is unclear how a weak exotic plant will respond to elevated nitrogen in the future. In this study, the competitive outcome of a weak invasive plant (Galinsoga quadriradiata) and two non-invasive plants was detected. The plants were subjected to 3 types of culture (mixed, monoculture or one-plant), 2 levels of nitrogen (ambient or elevated at a rate of 2 g m -2 yr -1 ) and 2 levels of light (65% shade or full sunlight). The results showed that elevated nitrogen significantly promoted the growth of both the weak invader and the non-invasive plants in one-plant pots; however, growth promotion was not observed for the non-invasive species in the mixed culture pots. The presence of G. quadriradiata significantly inhibited the growth of the non-invasive plants, and a decreased negative species interaction was detected as a result of elevated nitrogen. Our results suggest that competitive interactions between G. quadriradiata and the non-invasive plants were altered by elevated nitrogen. It provides exceptional evidence that an initially weak invasive plant can become an aggressive invader through elevated nitrogen deposition.

In Vivo Predictive Dissolution: Comparing the Effect of Bicarbonate and Phosphate Buffer on the Dissolution of Weak Acids and Weak Bases.

PubMed

Krieg, Brian J; Taghavi, Seyed Mohammad; Amidon, Gordon L; Amidon, Gregory E

2015-09-01

Bicarbonate is the main buffer in the small intestine and it is well known that buffer properties such as pKa can affect the dissolution rate of ionizable drugs. However, bicarbonate buffer is complicated to work with experimentally. Finding a suitable substitute for bicarbonate buffer may provide a way to perform more physiologically relevant dissolution tests. The dissolution of weak acid and weak base drugs was conducted in bicarbonate and phosphate buffer using rotating disk dissolution methodology. Experimental results were compared with the predicted results using the film model approach of (Mooney K, Mintun M, Himmelstein K, Stella V. 1981. J Pharm Sci 70(1):22-32) based on equilibrium assumptions as well as a model accounting for the slow hydration reaction, CO2 + H2 O → H2 CO3 . Assuming carbonic acid is irreversible in the dehydration direction: CO2 + H2 O ← H2 CO3 , the transport analysis can accurately predict rotating disk dissolution of weak acid and weak base drugs in bicarbonate buffer. The predictions show that matching the dissolution of weak acid and weak base drugs in phosphate and bicarbonate buffer is possible. The phosphate buffer concentration necessary to match physiologically relevant bicarbonate buffer [e.g., 10.5 mM (HCO3 (-) ), pH = 6.5] is typically in the range of 1-25 mM and is very dependent upon drug solubility and pKa . © 2015 Wiley Periodicals, Inc. and the American Pharmacists Association.

Simplified biased random walk model for RecA-protein-mediated homology recognition offers rapid and accurate self-assembly of long linear arrays of binding sites

NASA Astrophysics Data System (ADS)

Kates-Harbeck, Julian; Tilloy, Antoine; Prentiss, Mara

2013-07-01

Inspired by RecA-protein-based homology recognition, we consider the pairing of two long linear arrays of binding sites. We propose a fully reversible, physically realizable biased random walk model for rapid and accurate self-assembly due to the spontaneous pairing of matching binding sites, where the statistics of the searched sample are included. In the model, there are two bound conformations, and the free energy for each conformation is a weakly nonlinear function of the number of contiguous matched bound sites.

Advances in wave turbulence: rapidly rotating flows

NASA Astrophysics Data System (ADS)

Cambon, C.; Rubinstein, R.; Godeferd, F. S.

2004-07-01

At asymptotically high rotation rates, rotating turbulence can be described as a field of interacting dispersive waves by the general theory of weak wave turbulence. However, rotating turbulence has some complicating features, including the anisotropy of the wave dispersion relation and the vanishing of the wave frequency on a non-vanishing set of 'slow' modes. These features prevent straightforward application of existing theories and lead to some interesting properties, including the transfer of energy towards the slow modes. This transfer competes with, and might even replace, the transfer to small scales envisioned in standard turbulence theories. In this paper, anisotropic spectra for rotating turbulence are proposed based on weak turbulence theory; some evidence for their existence is given based on numerical calculations of the wave turbulence equations. Previous arguments based on the properties of resonant wave interactions suggest that the slow modes decouple from the others. Here, an extended wave turbulence theory with non-resonant interactions is proposed in which all modes are coupled; these interactions are possible only because of the anisotropy of the dispersion relation. Finally, the vanishing of the wave frequency on the slow modes implies that these modes cannot be described by weak turbulence theory. A more comprehensive approach to rotating turbulence is proposed to overcome this limitation.

Enzymatic mechanisms of biological magnetic sensitivity.

PubMed

Letuta, Ulyana G; Berdinskiy, Vitaly L; Udagawa, Chikako; Tanimoto, Yoshifumi

2017-10-01

Primary biological magnetoreceptors in living organisms is one of the main research problems in magnetobiology. Intracellular enzymatic reactions accompanied by electron transfer have been shown to be receptors of magnetic fields, and spin-dependent ion-radical processes can be a universal mechanism of biological magnetosensitivity. Magnetic interactions in intermediate ion-radical pairs, such as Zeeman and hyperfine (HFI) interactions, in accordance with proposed strict quantum mechanical theory, can determine magnetic-field dependencies of reactions that produce biologically important molecules needed for cell growth. Hyperfine interactions of electrons with nuclear magnetic moments of magnetic isotopes can explain the most important part of biomagnetic sensitivities in a weak magnetic field comparable to the Earth's magnetic field. The theoretical results mean that magnetic-field dependencies of enzymatic reaction rates in a weak magnetic field that can be independent of HFI constant a, if H < a, and are determined by the rate constant of chemical transformations in the enzyme active site. Both Zeeman and HFI interactions predict strong magnetic-field dependence in weak magnetic fields and magnetic-field independence of enzymatic reaction rate constants in strong magnetic fields. The theoretical results can explain the magnetic sensitivity of E. coli cell and demonstrate that intracellular enzymatic reactions are primary magnetoreceptors in living organisms. Bioelectromagnetics. 38:511-521, 2017. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

An experiment to verify that the weak interactions satisfy the strong equivalence principle. [electron capture and gravitational potential

NASA Technical Reports Server (NTRS)

Eby, P. B.

1978-01-01

The construction of a clock based on the beta decay process is proposed to test for any violations by the weak interaction of the strong equivalence principle bu determining whether the weak interaction coupling constant beta is spatially constant or whether it is a function of gravitational potential (U). The clock can be constructed by simply counting the beta disintegrations of some suitable source. The total number of counts are to be taken a measure of elapsed time. The accuracy of the clock is limited by the statistical fluctuations in the number of counts, N, which is equal to the square root of N. Increasing N gives a corresponding increase in accuracy. A source based on the electron capture process can be used so as to avoid low energy electron discrimination problems. Solid state and gaseous detectors are being considered. While the accuracy of this type of beta decay clock is much less than clocks based on the electromagnetic interaction, there is a corresponding lack of knowledge of the behavior of beta as a function of gravitational potential. No predictions from nonmetric theories as to variations in beta are available as yet, but they may occur at the U/sg C level.

A Test of the Sophisticated Guessing Theory of Word Perception

ERIC Educational Resources Information Center

Johnston, James C.

1978-01-01

Experiments tested the predictions that words are perceived more accurately in strongly constraining word contexts than in weakly constraining word contexts, and that a strong perceptual advantage would be present for letters in words vs. letters alone or in unrelated-letter strings. Several alternative theories of word perception are discussed.…

Aerodynamics of a Party Balloon

ERIC Educational Resources Information Center

Cross, Rod

2007-01-01

It is well-known that a party balloon can be made to fly erratically across a room, but it can also be used for quantitative measurements of other aspects of aerodynamics. Since a balloon is light and has a large surface area, even relatively weak aerodynamic forces can be readily demonstrated or measured in the classroom. Accurate measurements…

Identification of Weak Acids and Bases by Titration with Primary Standards. A Modern Version of an Old Analytical Chemistry Experiment.

ERIC Educational Resources Information Center

Thompson, Robert Q.

1988-01-01

Describes a laboratory exercise in which acid dissociation constants and molecular weights are extracted from sample data and the sample is identified. Emphasizes accurate volumetric work while bringing to practice the concepts of acid-base equilibria, activity coefficients, and thermodynamic constants. (CW)

The Effectiveness of Ineffectiveness: A New Approach to Assessing Patterns of Organizational Effectiveness.

ERIC Educational Resources Information Center

Cameron, Kim S.

A way to assess and improve organizational effectiveness is discussed, with a focus on factors that inhibit successful organizational performance. The basic assumption is that it is easier, more accurate, and more beneficial for individuals and organizations to identify criteria of ineffectiveness (faults and weaknesses) than to identify criteria…

Fixation Probability in a Haploid-Diploid Population.

PubMed

Bessho, Kazuhiro; Otto, Sarah P

2017-01-01

Classical population genetic theory generally assumes either a fully haploid or fully diploid life cycle. However, many organisms exhibit more complex life cycles, with both free-living haploid and diploid stages. Here we ask what the probability of fixation is for selected alleles in organisms with haploid-diploid life cycles. We develop a genetic model that considers the population dynamics using both the Moran model and Wright-Fisher model. Applying a branching process approximation, we obtain an accurate fixation probability assuming that the population is large and the net effect of the mutation is beneficial. We also find the diffusion approximation for the fixation probability, which is accurate even in small populations and for deleterious alleles, as long as selection is weak. These fixation probabilities from branching process and diffusion approximations are similar when selection is weak for beneficial mutations that are not fully recessive. In many cases, particularly when one phase predominates, the fixation probability differs substantially for haploid-diploid organisms compared to either fully haploid or diploid species. Copyright © 2017 by the Genetics Society of America.

Function and activity classification in network traffic data: existing methods, their weaknesses, and a path forward

NASA Astrophysics Data System (ADS)

Levchuk, Georgiy

2016-05-01

The cyber spaces are increasingly becoming the battlefields between friendly and adversary forces, with normal users caught in the middle. Accordingly, planners of enterprise defensive policies and offensive cyber missions alike have an essential goal to minimize the impact of their own actions and adversaries' attacks on normal operations of the commercial and government networks. To do this, the cyber analysis need accurate "cyber battle maps", where the functions, roles, and activities of individual and groups of devices and users are accurately identified. Most of the research in cyber exploitation has focused on the identification of attacks, attackers, and their devices. Many tools exist for device profiling, malware identification, user attribution, and attack analysis. However, most of the tools are intrusive, sensitive to data obfuscation, or provide anomaly flagging and not able to correctly classify the semantics and causes of network activities. In this paper, we review existing solutions that can identify functional and social roles of entities in cyberspace, discuss their weaknesses, and propose an approach for developing functional and social layers of cyber battle maps.

Scattered light and accuracy of the cross-section measurements of weak absorptions: Gas and liquid phase UV absorption cross sections of CH3CFCl2

NASA Technical Reports Server (NTRS)

Fahr, A.; Braun, W.; Kurylo, M. J.

1993-01-01

Ultraviolet absorption cross sections of CH3CFCl2(HCFC-141b) were determined in the gas phase (190-260 nm) and liquid phase (230-260 mm) at 298 K. The liquid phase absorption cross sections were then converted into accurate gas phase values using a previously described procedure. It has been demonstrated that scattered light from the shorter-wavelength region (as little as several parts per thousand) can seriously compromise the absorption cross-section measurement, particularly at longer wavelengths where cross sections are low, and can be a source of discrepancies in the cross sections of weakly absorbing halocarbons reported in the literature. A modeling procedure was developed to assess the effect of scattered light on the measured absorption cross section in our experiments, thereby permitting appropriate corrections to be made on the experimental values. Modeled and experimental results were found to be in good agreement. Experimental results from this study were compared with other available determinations and provide accurate input for calculating the atmospheric lifetime of HCFC-141b.

Thermal and FTIR spectroscopic analysis of the interactions of aniline adsorbed on to MCM-41 mesoporous material.

PubMed

Eimer, Griselda A; Gómez Costa, Marcos B; Pierella, Liliana B; Anunziata, Oscar A

2003-07-15

The adsorption of aniline on Na-AlMCM-41 synthesized by us has been characterized by infrared spectroscopy, temperature programmed desorption (TPD), and differential thermal analysis methods. Aniline would be mostly bound to the mesostructure through weak pi interactions. On the mesostructure containing adsorbed water, the co-adsorption of aniline could occur by weak hydrogen bonding through surface water molecules. For water, two possible modes of adsorption have been identified. Different associations between aniline and hydrated and nonhydrated mesostructures have been evaluated in order to favor the posterior in situ polymerization of adsorbed aniline.

Theoretical investigation of the weak interaction between graphene and alcohol solvents

NASA Astrophysics Data System (ADS)

Wang, Haining; Chen, Sian; Lu, Shanfu; Xiang, Yan

2017-05-01

The dispersion of graphene in five different alcohol solvents was investigated by evaluating the binding energy between graphene and alcohol molecules using DFT-D method. The calculation showed the most stable binding energy appeared at the distance of ∼3.5 Å between graphene and alcohol molecules and increased linearly as changing the alcohol from methanol to 1-pentanol. The weak interaction was further graphically illustrated using the reduced density gradient method. The theoretical study revealed alcohols with more carbon atoms could be a good starting point for screening suitable solvents for graphene dispersion.

The lanthanide contraction beyond coordination chemistry

DOE PAGES

Ferru, Geoffroy; Reinhart, Benjamin; Bera, Mrinal K.; ...

2016-04-06

Lanthanide chemistry is dominated by the ‘lanthanide contraction’, which is conceptualized traditionally through coordination chemistry. Here we break this mold, presenting evidence that the lanthanide contraction manifests outside of the coordination sphere, influencing weak interactions between groups of molecules that drive mesoscale-assembly and emergent behavior in an amphiphile solution. Furthermore, changes in these weak interactions correlate with differences in lanthanide ion transport properties, suggesting new forces to leverage rare earth separation and refining. Our results show that the lanthanide contraction paradigm extends beyond the coordination sphere, influencing structure and properties usually associated with soft matter science.

The lanthanide contraction beyond coordination chemistry

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ferru, Geoffroy; Reinhart, Benjamin; Bera, Mrinal K.

Lanthanide chemistry is dominated by the ‘lanthanide contraction’, which is conceptualized traditionally through coordination chemistry. Here we break this mold, presenting evidence that the lanthanide contraction manifests outside of the coordination sphere, influencing weak interactions between groups of molecules that drive mesoscale-assembly and emergent behavior in an amphiphile solution. Furthermore, changes in these weak interactions correlate with differences in lanthanide ion transport properties, suggesting new forces to leverage rare earth separation and refining. Our results show that the lanthanide contraction paradigm extends beyond the coordination sphere, influencing structure and properties usually associated with soft matter science.

Attenuated coupled cluster: a heuristic polynomial similarity transformation incorporating spin symmetry projection into traditional coupled cluster theory

NASA Astrophysics Data System (ADS)

Gomez, John A.; Henderson, Thomas M.; Scuseria, Gustavo E.

2017-11-01

In electronic structure theory, restricted single-reference coupled cluster (CC) captures weak correlation but fails catastrophically under strong correlation. Spin-projected unrestricted Hartree-Fock (SUHF), on the other hand, misses weak correlation but captures a large portion of strong correlation. The theoretical description of many important processes, e.g. molecular dissociation, requires a method capable of accurately capturing both weak and strong correlation simultaneously, and would likely benefit from a combined CC-SUHF approach. Based on what we have recently learned about SUHF written as particle-hole excitations out of a symmetry-adapted reference determinant, we here propose a heuristic CC doubles model to attenuate the dominant spin collective channel of the quadratic terms in the CC equations. Proof of principle results presented here are encouraging and point to several paths forward for improving the method further.

Weak scratch detection and defect classification methods for a large-aperture optical element

NASA Astrophysics Data System (ADS)

Tao, Xian; Xu, De; Zhang, Zheng-Tao; Zhang, Feng; Liu, Xi-Long; Zhang, Da-Peng

2017-03-01

Surface defects on optics cause optic failure and heavy loss to the optical system. Therefore, surface defects on optics must be carefully inspected. This paper proposes a coarse-to-fine detection strategy of weak scratches in complicated dark-field images. First, all possible scratches are detected based on bionic vision. Then, each possible scratch is precisely positioned and connected to a complete scratch by the LSD and a priori knowledge. Finally, multiple scratches with various types can be detected in dark-field images. To classify defects and pollutants, a classification method based on GIST features is proposed. This paper uses many real dark-field images as experimental images. The results show that this method can detect multiple types of weak scratches in complex images and that the defects can be correctly distinguished with interference. This method satisfies the real-time and accurate detection requirements of surface defects.

The recovery of weak impulsive signals based on stochastic resonance and moving least squares fitting.

PubMed

Jiang, Kuosheng; Xu, Guanghua; Liang, Lin; Tao, Tangfei; Gu, Fengshou

2014-07-29

In this paper a stochastic resonance (SR)-based method for recovering weak impulsive signals is developed for quantitative diagnosis of faults in rotating machinery. It was shown in theory that weak impulsive signals follow the mechanism of SR, but the SR produces a nonlinear distortion of the shape of the impulsive signal. To eliminate the distortion a moving least squares fitting method is introduced to reconstruct the signal from the output of the SR process. This proposed method is verified by comparing its detection results with that of a morphological filter based on both simulated and experimental signals. The experimental results show that the background noise is suppressed effectively and the key features of impulsive signals are reconstructed with a good degree of accuracy, which leads to an accurate diagnosis of faults in roller bearings in a run-to failure test.

Ciprofloxacin and statin interaction: a cautionary tale of rhabdomyolysis.

PubMed

Goldie, Fraser Charles; Brogan, Amy; Boyle, James Graham

2016-07-28

A 62-year-old woman presented to hospital, on general practitioner (GP) advice, with a 15-day history of slowly progressing muscle weakness. Results showed newly deranged liver function and creatine kinase (CK) of >24 000. Prior medical history includes previous myocardial infarction and recurrent urinary tract infection. 4 days prior to symptom onset, the patient developed typical urinary tract infection symptoms, treated with ciprofloxacin. The patient had been taking simvastatin (40 mg nocte) for 13 years and had never previously taken ciprofloxacin. Initial management included intravenous crystalloid fluids and discontinuation of simvastatin. CK level fell, liver function slowly improved and renal function remained stable. Muscle weakness improved and the patient became independently able to perform activities of daily living. While the interactions between statins and other antibiotics are well documented, the interaction between statins and ciprofloxacin is less so. The consequences of this interaction can have potentially serious outcomes. 2016 BMJ Publishing Group Ltd.

Two Impurities in a Bose-Einstein Condensate: From Yukawa to Efimov Attracted Polarons

NASA Astrophysics Data System (ADS)

Naidon, Pascal

2018-04-01

The well-known Yukawa and Efimov potentials are two different mediated interaction potentials. The first one arises in quantum field theory from the exchange of virtual particles. The second one is mediated by a real particle resonantly interacting with two other particles. This Letter shows how two impurities immersed in a Bose-Einstein condensate can exhibit both phenomena. For a weak attraction with the condensate, the two impurities form two polarons that interact through a weak Yukawa attraction mediated by virtual excitations. For a resonant attraction with the condensate, the exchanged excitation becomes a real boson and the mediated interaction changes to a strong Efimov attraction that can bind the two polarons. The resulting bipolarons turn into in-medium Efimov trimers made of the two impurities and one boson. Evidence of this physics could be seen in ultracold mixtures of atoms.

Soliton interactions, Bäcklund transformations, Lax pair for a variable-coefficient generalized dispersive water-wave system

NASA Astrophysics Data System (ADS)

Liu, Lei; Tian, Bo; Zhen, Hui-Ling; Liu, De-Yin; Xie, Xi-Yang

2018-04-01

Under investigation in this paper is a variable-coefficient generalized dispersive water-wave system, which can simulate the propagation of the long weakly non-linear and weakly dispersive surface waves of variable depth in the shallow water. Under certain variable-coefficient constraints, by virtue of the Bell polynomials, Hirota method and symbolic computation, the bilinear forms, one- and two-soliton solutions are obtained. Bäcklund transformations and new Lax pair are also obtained. Our Lax pair is different from that previously reported. Based on the asymptotic and graphic analysis, with different forms of the variable coefficients, we find that there exist the elastic interactions for u, while either the elastic or inelastic interactions for v, with u and v as the horizontal velocity field and deviation height from the equilibrium position of the water, respectively. When the interactions are inelastic, we see the fission and fusion phenomena.

Energy economy in the actomyosin interaction: lessons from simple models.

PubMed

Lehman, Steven L

2010-01-01

The energy economy of the actomyosin interaction in skeletal muscle is both scientifically fascinating and practically important. This chapter demonstrates how simple cross-bridge models have guided research regarding the energy economy of skeletal muscle. Parameter variation on a very simple two-state strain-dependent model shows that early events in the actomyosin interaction strongly influence energy efficiency, and late events determine maximum shortening velocity. Addition of a weakly-bound state preceding force production allows weak coupling of cross-bridge mechanics and ATP turnover, so that a simple three-state model can simulate the velocity-dependence of ATP turnover. Consideration of the limitations of this model leads to a review of recent evidence regarding the relationship between ligand binding states, conformational states, and macromolecular structures of myosin cross-bridges. Investigation of the fine structure of the actomyosin interaction during the working stroke continues to inform fundamental research regarding the energy economy of striated muscle.

A Spectroscopic and Theoretical Study of Weak Intramolecular OH\\cdots π Interactions in Allyl Carbinol and Methallyl Carbinol

NASA Astrophysics Data System (ADS)

Schroeder, Sidsel D.; Mackeprang, Kasper; Kjaergaard, Henrik G.

2013-06-01

The weak intramolecular OH\\cdots π interactions in allyl carbinol and methallyl carbinol have been studied using a combination of NIR spectroscopy and theory. The third OH-stretching overtone region of vapor phase allyl carbinol and methallyl carbinol have been recorded with intracavity laser photoacoustic spectroscopy to study the effect of an enhanced OH\\cdots π interaction in methallyl carbinol arising from the electron donating methyl group. Local mode calculations were employed to assign the observed bands. The OH-stretching transition frequency of methallyl carbinol was observed to be red shifted relative to the OH-stretching transition frequency of allyl carbinol. A red shift of the transition frequency is in this context normally interpreted as a signature of hydrogen bonding. Whether the OH\\cdots π interaction can be categorized as a hydrogen bond will be discussed in this talk.

Λ N → NN EFT potentials and hypertriton non-mesonic weak decay

NASA Astrophysics Data System (ADS)

Pérez-Obiol, Axel; Entem, David R.; Nogga, Andreas

2018-05-01

The potential for the Λ N → NN weak transition, the main responsible for the non-mesonic weak decay of hypernuclei, has been developed within the framework of effective field theory (EFT) up to next-to-leading order (NLO). The leading order (LO) and NLO contributions have been calculated in both momentum and coordinate space, and have been organised into the different operators which mediate the N → NN transition. We compare the ranges of the one-meson and two-pion exchanges for each operator. The non-mesonic weak decay of the hypertriton has been computed within the plane-wave approximation using the LO weak potential and modern strong EFT NN potentials. Formally, two methods to calculate the final state interactions among the decay products are presented. We briefly comment on the calculation of the {}{{Λ }}{}3H{\\to }3 He+{π }- mesonic weak decay.

Distinct effects of anthropogenic aerosols on the East Asian summer monsoon between multidecadal strong and weak monsoon stages

DOE PAGES

Xie, Xiaoning; Wang, Hongli; Liu, Xiaodong; ...

2016-06-18

Industrial emissions of anthropogenic aerosols over East Asia have greatly increased in recent decades, and so the interactions between atmospheric aerosols and the East Asian summer monsoon (EASM) have attracted enormous attention. In order to further understand the aerosol-EASM interaction, we investigate the impacts of anthropogenic aerosols on the EASM during the multidecadal strong (1950–1977) and weak (1978–2000) EASM stages using the Community Atmospheric Model 5.1. Numerical experiments are conducted for the whole period, including the two different EASM stages, with present day (PD, year 2000) and preindustrial (PI, year 1850) aerosol emissions, as well as the observed time-varying aerosolmore » emissions. A comparison of the results from PD and PI shows that, with the increase in anthropogenic aerosols, the large-scale EASM intensity is weakened to a greater degree (-9.8%) during the weak EASM stage compared with the strong EASM stage (-4.4%). The increased anthropogenic aerosols also result in a significant reduction in precipitation over North China during the weak EASM stage, as opposed to a statistically insignificant change during the strong EASM stage. Because of greater aerosol loading and the larger sensitivity of the climate system during weak EASM stages, the aerosol effects are more significant during these EASM stages. Moreover, these results suggest that anthropogenic aerosols from the same aerosol emissions have distinct effects on the EASM and the associated precipitation between the multidecadal weak and strong EASM stages.« less

Critical exponents and universal magnetic behavior of noncentrosymmetric Fe0.6Co0.4Si.

PubMed

Samatham, S Shanmukharao; Suresh, K G

2018-05-31

The critical magnetic properties of a non-centrosymmetric B20 cubic helimagnet Fe 0.6 Co 0.4 Si are investigated using magnetization isotherms. It belongs to the 3D-Heisenberg universality class with short range magnetic coupling as inferred from the self-consistent critical exponents [Formula: see text], [Formula: see text], [Formula: see text] and [Formula: see text] in combination with exchange interaction [Formula: see text]. Itinerant magnetic nature of the compound is realized by the Rhodes-Wholfarth analysis. Field-induced weak first (para[Formula: see text]helical) to second (para[Formula: see text]field-polarized) order transition is reported to occur at low critical field due to the weak spin-orbit coupling arising from the weak Dzyaloshinksii-Moriya interactions. Our study suggests the distinct phenomenological magnetic structures for Fe-based cubic magnets (Fe 1-x Co x Si and FeGe) and MnSi which cause contrasting physical properties.

Linear and weakly nonlinear aspects of free shear layer instability, roll-up, subharmonic interaction and wall influence

NASA Technical Reports Server (NTRS)

Cain, A. B.; Thompson, M. W.

1986-01-01

The growth of the momentum thickness and the modal disturbance energies are examined to study the nature and onset of nonlinearity in a temporally growing free shear layer. A shooting technique is used to find solutions to the linearized eigenvalue problem, and pseudospectral weakly nonlinear simulations of this flow are obtained for comparison. The roll-up of a fundamental disturbance follows linear theory predictions even with a 20 percent disturbance amplitude. A weak nonlinear interaction of the disturbance creates a finite-amplitude mean shear stress which dominates the growth of the layer momentum thickness, and the disturbance growth rate changes until the fundamental disturbance dominates. The fundamental then becomes an energy source for the harmonic, resulting in an increase in the growth rate of the subharmonic over the linear prediction even when the fundamental has no energy to give. Also considered are phase relations and the wall influence.

Weak- versus strong-disorder superfluid—Bose glass transition in one dimension

NASA Astrophysics Data System (ADS)

Doggen, Elmer V. H.; Lemarié, Gabriel; Capponi, Sylvain; Laflorencie, Nicolas

2017-11-01

Using large-scale simulations based on matrix product state and quantum Monte Carlo techniques, we study the superfluid to Bose glass transition for one-dimensional attractive hard-core bosons at zero temperature, across the full regime from weak to strong disorder. As a function of interaction and disorder strength, we identify a Berezinskii-Kosterlitz-Thouless critical line with two different regimes. At small attraction where critical disorder is weak compared to the bandwidth, the critical Luttinger parameter Kc takes its universal Giamarchi-Schulz value Kc=3 /2 . Conversely, a nonuniversal Kc>3 /2 emerges for stronger attraction where weak-link physics is relevant. In this strong-disorder regime, the transition is characterized by self-similar power-law-distributed weak links with a continuously varying characteristic exponent α .

Weak-value amplification as an optimal metrological protocol

NASA Astrophysics Data System (ADS)

Alves, G. Bié; Escher, B. M.; de Matos Filho, R. L.; Zagury, N.; Davidovich, L.

2015-06-01

The implementation of weak-value amplification requires the pre- and postselection of states of a quantum system, followed by the observation of the response of the meter, which interacts weakly with the system. Data acquisition from the meter is conditioned to successful postselection events. Here we derive an optimal postselection procedure for estimating the coupling constant between system and meter and show that it leads both to weak-value amplification and to the saturation of the quantum Fisher information, under conditions fulfilled by all previously reported experiments on the amplification of weak signals. For most of the preselected states, full information on the coupling constant can be extracted from the meter data set alone, while for a small fraction of the space of preselected states, it must be obtained from the postselection statistics.

Weak quadrupole moments

NASA Astrophysics Data System (ADS)

Lackenby, B. G. C.; Flambaum, V. V.

2018-07-01

We introduce the weak quadrupole moment (WQM) of nuclei, related to the quadrupole distribution of the weak charge in the nucleus. The WQM produces a tensor weak interaction between the nucleus and electrons and can be observed in atomic and molecular experiments measuring parity nonconservation. The dominating contribution to the weak quadrupole is given by the quadrupole moment of the neutron distribution, therefore, corresponding experiments should allow one to measure the neutron quadrupoles. Using the deformed oscillator model and the Schmidt model we calculate the quadrupole distributions of neutrons, Q n , the WQMs, {Q}W(2), and the Lorentz invariance violating energy shifts in 9Be, 21Ne, 27Al, 131Xe, 133Cs, 151Eu, 153Eu, 163Dy, 167Er, 173Yb, 177Hf, 179Hf, 181Ta, 201Hg and 229Th.

Evaluation of the in vitro/in vivo potential of five berries (bilberry, blueberry, cranberry, elderberry, and raspberry ketones) commonly used as herbal supplements to inhibit uridine diphospho-glucuronosyltransferase.

PubMed

Choi, Eu Jin; Park, Jung Bae; Yoon, Kee Dong; Bae, Soo Kyung

2014-10-01

In this study, we evaluated inhibitory potentials of popularly-consumed berries (bilberry, blueberry, cranberry, elderberry, and raspberry ketones) as herbal supplements on UGT1A1, UGT1A4, UGT1A6, UGT1A9, and UGT2B7 in vitro. We also investigated the potential herb-drug interaction via UGT1A1 inhibition by blueberry in vivo. We demonstrated that these berries had only weak inhibitory effects on the five UGTs. Bilberry and elderberry had no apparent inhibitions. Blueberry weakly inhibited UGT1A1 with an IC50 value of 62.4±4.40 μg/mL and a Ki value of 53.1 μg/mL. Blueberry also weakly inhibited UGT2B7 with an IC50 value of 147±11.1 μg/mL. In addition, cranberry weakly inhibited UGT1A9 activity (IC50=458±49.7 μg/mL) and raspberry ketones weakly inhibited UGT2B7 activity (IC50=248±28.2 μg/mL). Among tested berries, blueberry showed the lowest IC50 value in the inhibition of UGT1A1 in vitro. However, the co-administration of blueberry had no effect on the pharmacokinetics of irinotecan and its active metabolite, SN-38, which was mainly eliminated via UGT1A1, in vivo. Our data suggests that these five berries are unlikely to cause clinically significant herb-drug interactions mediated via inhibition of UGT enzymes involved in drug metabolism. These findings should enable an understanding of herb-drug interactions for the safe use of popularly-consumed berries. Copyright © 2014 Elsevier Ltd. All rights reserved.

The interaction between a propagating coastal vortex and topographic waves

NASA Astrophysics Data System (ADS)

Parry, Simon Wyn

This thesis investigates the motion of a point vortex near coastal topography in a rotating frame of reference at constant latitude (f-plane) in the linear and weakly nonlinear limits. Topography is considered in the form of an infinitely long escarpment running parallel to a wall. The vortex motion and topographic waves are governed by the conservation of quasi-geostrophic potential vorticity in shallow water, from which a nonlinear system of equations is derived. First the linear limit is studied for three cases; a weak vortex on- and off-shelf and a weak vortex close to the wall. For the first two cases it is shown that to leading order the vortex motion is stationary and a solution for the topographic waves at the escarpment can be found in terms of Fourier integrals. For a weak vortex close to a wall, the leading order solution is a steadily propagating vortex with a topographic wavetrain at the step. Numerical results for the higher order interactions are also presented and explained in terms of conservation of momentum in the along-shore direction. For the second case a resonant interaction between the vortex and the waves occurs when the vortex speed is equal to the maximum group velocity of the waves and the linear response becomes unbounded at large times. Thus it becomes necessary to examine the weakly nonlinear near-resonant case. Using a long wave approximation a nonlinear evolution equation for the interface separating the two regions of differing relative potential vorticity is derived and has similar form to the BDA (Benjamin, Davies, Acrivos 1967) equation. Results for the leading order steadily propagating vortex and for the vortex-wave feedback problem are calculated numerically using spectral multi-step Adams methods.

Mono and Multivalency In Tethered Protein-Carbohydrate Bonds

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ratto, T V; Langry, K C; Rudd, R E

2004-01-29

Molecular recognition in biological systems typically involves large numbers of interactions simultaneously. By using a multivalent approach, weak interactions with fairly low specificity can become strong highly specific interactions. Additionally, this allows an organism to control the strength and specificity of an interaction simply by controlling the number of binding molecules (or binding sites), which in turn can be controlled through transcriptional regulation.

Probes for dark matter physics

NASA Astrophysics Data System (ADS)

Khlopov, Maxim Yu.

The existence of cosmological dark matter is in the bedrock of the modern cosmology. The dark matter is assumed to be nonbaryonic and consists of new stable particles. Weakly Interacting Massive Particle (WIMP) miracle appeals to search for neutral stable weakly interacting particles in underground experiments by their nuclear recoil and at colliders by missing energy and momentum, which they carry out. However, the lack of WIMP effects in their direct underground searches and at colliders can appeal to other forms of dark matter candidates. These candidates may be weakly interacting slim particles, superweakly interacting particles, or composite dark matter, in which new particles are bound. Their existence should lead to cosmological effects that can find probes in the astrophysical data. However, if composite dark matter contains stable electrically charged leptons and quarks bound by ordinary Coulomb interaction in elusive dark atoms, these charged constituents of dark atoms can be the subject of direct experimental test at the colliders. The models, predicting stable particles with charge ‑ 2 without stable particles with charges + 1 and ‑ 1 can avoid severe constraints on anomalous isotopes of light elements and provide solution for the puzzles of dark matter searches. In such models, the excessive ‑ 2 charged particles are bound with primordial helium in O-helium atoms, maintaining specific nuclear-interacting form of the dark matter. The successful development of composite dark matter scenarios appeals for experimental search for doubly charged constituents of dark atoms, making experimental search for exotic stable double charged particles experimentum crucis for dark atoms of composite dark matter.

Heat shock protein 47 and 65-kDa FK506-binding protein weakly but synergistically interact during collagen folding in the endoplasmic reticulum.

PubMed

Ishikawa, Yoshihiro; Holden, Paul; Bächinger, Hans Peter

2017-10-20

Collagen is the most abundant protein in the extracellular matrix in humans and is critical to the integrity and function of many musculoskeletal tissues. A molecular ensemble comprising more than 20 molecules is involved in collagen biosynthesis in the rough endoplasmic reticulum. Two proteins, heat shock protein 47 (Hsp47/ SERPINH1 ) and 65-kDa FK506-binding protein (FKBP65/ FKBP10 ), have been shown to play important roles in this ensemble. In humans, autosomal recessive mutations in both genes cause similar osteogenesis imperfecta phenotypes. Whereas it has been proposed that Hsp47 and FKBP65 interact in the rough endoplasmic reticulum, there is neither clear evidence for this interaction nor any data regarding their binding affinities for each other. In this study using purified endogenous proteins, we examined the interaction between Hsp47, FKBP65, and collagen and also determined their binding affinities and functions in vitro Hsp47 and FKBP65 show a direct but weak interaction, and FKBP65 prefers to interact with Hsp47 rather than type I collagen. Our results suggest that a weak interaction between Hsp47 and FKBP65 confers mutual molecular stability and also allows for a synergistic effect during collagen folding. We also propose that Hsp47 likely acts as a hub molecule during collagen folding and secretion by directing other molecules to reach their target sites on collagens. Our findings may explain why osteogenesis imperfecta-causing mutations in both genes result in similar phenotypes. © 2017 by The American Society for Biochemistry and Molecular Biology, Inc.

Symmetry structure in discrete models of biochemical systems: natural subsystems and the weak control hierarchy in a new model of computation driven by interactions.

PubMed

Nehaniv, Chrystopher L; Rhodes, John; Egri-Nagy, Attila; Dini, Paolo; Morris, Eric Rothstein; Horváth, Gábor; Karimi, Fariba; Schreckling, Daniel; Schilstra, Maria J

2015-07-28

Interaction computing is inspired by the observation that cell metabolic/regulatory systems construct order dynamically, through constrained interactions between their components and based on a wide range of possible inputs and environmental conditions. The goals of this work are to (i) identify and understand mathematically the natural subsystems and hierarchical relations in natural systems enabling this and (ii) use the resulting insights to define a new model of computation based on interactions that is useful for both biology and computation. The dynamical characteristics of the cellular pathways studied in systems biology relate, mathematically, to the computational characteristics of automata derived from them, and their internal symmetry structures to computational power. Finite discrete automata models of biological systems such as the lac operon, the Krebs cycle and p53-mdm2 genetic regulation constructed from systems biology models have canonically associated algebraic structures (their transformation semigroups). These contain permutation groups (local substructures exhibiting symmetry) that correspond to 'pools of reversibility'. These natural subsystems are related to one another in a hierarchical manner by the notion of 'weak control'. We present natural subsystems arising from several biological examples and their weak control hierarchies in detail. Finite simple non-Abelian groups are found in biological examples and can be harnessed to realize finitary universal computation. This allows ensembles of cells to achieve any desired finitary computational transformation, depending on external inputs, via suitably constrained interactions. Based on this, interaction machines that grow and change their structure recursively are introduced and applied, providing a natural model of computation driven by interactions.

The dynamics of turbulent premixed flames: Mechanisms and models for turbulence-flame interaction

NASA Astrophysics Data System (ADS)

Steinberg, Adam M.

The use of turbulent premixed combustion in engines has been garnering renewed interest due to its potential to reduce NOx emissions. However there are many aspects of turbulence-flame interaction that must be better understood before such flames can be accurately modeled. The focus of this dissertation is to develop an improved understanding for the manner in which turbulence interacts with a premixed flame in the 'thin flamelet regime'. To do so, two new diagnostics were developed and employed in a turbulent slot Bunsen flame. These diagnostics, Cinema-Stereoscopic Particle Image Velocimetry and Orthogonal-Plane Cinema-Stereoscopic Particle Image Velocimetry, provided temporally resolved velocity and flame surface measurements in two- and three-dimensions with rates of up to 3 kHz and spatial resolutions as low as 280 mum. Using these measurements, the mechanisms with which turbulence generates flame surface area were studied. It was found that the previous concept that flame stretch is characterized by counter-rotating vortex pairs does not accurately describe real turbulence-flame interactions. Analysis of the experimental data showed that the straining of the flame surface is determined by coherent structures of fluid dynamic strain rate, while the wrinkling is caused by vortical structures. Furthermore, it was shown that the canonical vortex pair configuration is not an accurate reflection of the real interaction geometry. Hence, models developed based on this geometry are unlikely to be accurate. Previous models for the strain rate, curvature stretch rate, and turbulent burning velocity were evaluated. It was found that the previous models did not accurately predict the measured data for a variety of reasons: the assumed interaction geometries did not encompass enough possibilities to describe the possible effects of real turbulence, the turbulence was not properly characterized, and the transport of flame surface area was not always considered. New models therefore were developed that accurately reflect real turbulence-flame interactions and agree with the measured data. These can be implemented in Large Eddy Simulations to provide improved modeling of turbulence-flame interaction.

Strong Dollar, Weak Dollar: Foreign Exchange Rates and the U.S. Economy.

ERIC Educational Resources Information Center

Schilling, Tim

Many generalizations sound simple enough--for example, "strong is good, weak is bad"--but they can be confusing when talking about money. This booklet explores how the U.S. dollar and foreign currencies affect each other and how their interaction affects the individual and the economy. The booklet contains the following sections:…

Semiclassical description of hyperfine interaction in calculating chemically induced dynamic nuclear polarization in weak magnetic fields

DOE Office of Scientific and Technical Information (OSTI.GOV)

Purtov, P.A.; Salikhov, K.M.

1987-09-01

Semiclassical HFI description is applicable to calculating the integral CIDNP effect in weak fields. The HFI has been calculated for radicals with sufficiently numerous magnetically equivalent nuclei (n greater than or equal to 5) in satisfactory agreement with CIDNP calculations based on quantum-mechanical description of radical-pair spin dynamics.

In search of the best match: probing a multi-dimensional cloud microphysical parameter space to better understand what controls cloud thermodynamic phase

NASA Astrophysics Data System (ADS)

Tan, Ivy; Storelvmo, Trude

2015-04-01

Substantial improvements have been made to the cloud microphysical schemes used in the latest generation of global climate models (GCMs), however, an outstanding weakness of these schemes lies in the arbitrariness of their tuning parameters, which are also notoriously fraught with uncertainties. Despite the growing effort in improving the cloud microphysical schemes in GCMs, most of this effort has neglected to focus on improving the ability of GCMs to accurately simulate the present-day global distribution of thermodynamic phase partitioning in mixed-phase clouds. Liquid droplets and ice crystals not only influence the Earth's radiative budget and hence climate sensitivity via their contrasting optical properties, but also through the effects of their lifetimes in the atmosphere. The current study employs NCAR's CAM5.1, and uses observations of cloud phase obtained by NASA's CALIOP lidar over a 79-month period (November 2007 to June 2014) guide the accurate simulation of the global distribution of mixed-phase clouds in 20∘ latitudinal bands at the -10∘ C, -20∘C and -30∘C isotherms, by adjusting six relevant cloud microphysical tuning parameters in the CAM5.1 via Quasi-Monte Carlo sampling. Among the parameters include those that control the Wegener-Bergeron-Findeisen (WBF) timescale for the conversion of supercooled liquid droplets to ice and snow in mixed-phase clouds, the fraction of ice nuclei that nucleate ice in the atmosphere, ice crystal sedimentation speed, and wet scavenging in stratiform and convective clouds. Using a Generalized Linear Model as a variance-based sensitivity analysis, the relative contributions of each of the six parameters are quantified to gain a better understanding of the importance of their individual and two-way interaction effects on the liquid to ice proportion in mixed-phase clouds. Thus, the methodology implemented in the current study aims to search for the combination of cloud microphysical parameters in a GCM that produce the most accurate reproduction of observations of cloud thermodynamic phase, while simultaneously assessing the weaknesses of the parameterizations in the model. We find that the simulated proportion of liquid to ice in mixed-phase clouds is dominated by the fraction of active ice nuclei in the atmosphere and the WBF timescale. In a follow-up to this study, we apply these results to a fully-coupled GCM, CESM, and find that cloud thermodynamic phase has profound ramifications for the uncertainty associated with climate sensitivity estimates.

Mixed retention mechanism of proteins in weak anion-exchange chromatography.

PubMed

Liu, Peng; Yang, Haiya; Geng, Xindu

2009-10-30

Using four commercial weak anion-exchange chromatography (WAX) columns and 11 kinds of different proteins, we experimentally examined the involvement of hydrophobic interaction chromatography (HIC) mechanism in protein retention on the WAX columns. The HIC mechanism was found to operate in all four WAX columns, and each of these columns had a better resolution in the HIC mode than in the corresponding WAX mode. Detailed analysis of the molecular interactions in a chromatographic system indicated that it is impossible to completely eliminate hydrophobic interactions from a WAX column. Based on these results, it may be possible to employ a single WAX column for protein separation by exploiting mixed modes (WAX and HIC) of retention. The stoichiometric displacement theory and two linear plots were used to show that mechanism of the mixed modes of retention in the system was a combination of two kinds of interactions, i.e., nonselective interactions in the HIC mode and selective interactions in the IEC mode. The obtained U-shaped elution curve of proteins could be distinguished into four different ranges of salt concentration, which also represent four retention regions.

Ab initio study of the Coulomb interaction in NbxCo clusters: Strong on-site versus weak nonlocal screening

NASA Astrophysics Data System (ADS)

Peters, L.; Şaşıoǧlu, E.; Mertig, I.; Katsnelson, M. I.

2018-01-01

By means of ab initio calculations in conjunction with the random-phase approximation (RPA) within the full-potential linearized augmented plane wave method, we study the screening of the Coulomb interaction in NbxCo (1 ≤x ≤9 ) clusters. In addition, these results are compared with pure bcc Nb bulk. We find that for all clusters the on-site Coulomb interaction in RPA is strongly screened, whereas the intersite nonlocal Coulomb interaction is weakly screened and for some clusters it is unscreened or even antiscreened. This is in strong contrast with pure Nb bulk, where the intersite Coulomb interaction is almost completely screened. Furthermore, constrained RPA calculations reveal that the contribution of the Co 3 d → 3 d channel to the total screening of the Co 3 d electrons is small. Moreover, we find that both the on-site and intersite Coulomb interaction parameters decrease in a reasonable approximation linearly with the cluster size and for clusters having more than 20 Nb atoms a transition from 0D to 3D screening is expected to take place.

Strongly exchange-coupled triplet pairs in an organic semiconductor

NASA Astrophysics Data System (ADS)

Weiss, Leah R.; Bayliss, Sam L.; Kraffert, Felix; Thorley, Karl J.; Anthony, John E.; Bittl, Robert; Friend, Richard H.; Rao, Akshay; Greenham, Neil C.; Behrends, Jan

2017-02-01

From biological complexes to devices based on organic semiconductors, spin interactions play a key role in the function of molecular systems. For instance, triplet-pair reactions impact operation of organic light-emitting diodes as well as photovoltaic devices. Conventional models for triplet pairs assume they interact only weakly. Here, using electron spin resonance, we observe long-lived, strongly interacting triplet pairs in an organic semiconductor, generated via singlet fission. Using coherent spin manipulation of these two-triplet states, we identify exchange-coupled (spin-2) quintet complexes coexisting with weakly coupled (spin-1) triplets. We measure strongly coupled pairs with a lifetime approaching 3 μs and a spin coherence time approaching 1 μs, at 10 K. Our results pave the way for the utilization of high-spin systems in organic semiconductors.

Laser skin friction measurements and CFD comparison of weak-to-strong swept shock/boundary-layer interactions

NASA Technical Reports Server (NTRS)

Kim, K.-S.; Lee, Y.; Alvi, F. S.; Settles, G. S.; Horstman, C. C.

1990-01-01

A joint experimental and computational study of skin friction in weak-to-strong swept shock wave/turbulent boundary-layer interactions has been carried out. A planar shock wave is generated by a sharp fin at angles of attack alpha = 10 deg and 16 deg at M(infinity) = 3 and 16 and 20 deg at M(infinity) = 4. Measurements are made using the Laser Interferometer Skin Friction meter, which optically detects the rate of thinning of an oil film applied to the test surface. The results show a systematic rise in the peak c(f) at the rear part of the interaction, where the separated flow atttaches. For the stronget case studied, this peak is an order of magnitude higher than the incoming freestream c(f)level.

Two-dimensional nonlinear finite element analysis of well damage due to reservoir compaction, well-to-well interactions, and localization on weak layers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hilbert, L.B. Jr.; Fredrich, J.T.; Bruno, M.S.

1996-05-01

In this paper the authors present the results of a coupled nonlinear finite element geomechanics model for reservoir compaction and well-to-well interactions for the high-porosity, low strength diatomite reservoirs of the Belridge field near Bakersfield, California. They show that well damage and failures can occur under the action of two distinct mechanisms: shear deformations induced by pore compaction, and subsidence, and shear deformations due to well-to-well interactions during production or water injection. They show such casting damage or failure can be localized to weak layers that slide or slip under shear due to subsidence. The magnitude of shear displacements andmore » surface subsidence agree with field observations.« less

Ligand-induced changes in 2-aminopurine fluorescence as a probe for small molecule binding to HIV-1 TAR RNA

PubMed Central

BRADRICK, THOMAS D.; MARINO, JOHN P.

2004-01-01

Replication of human immunodeficiency virus type 1 (HIV-1) is regulated in part through an interaction between the virally encoded trans-activator protein Tat and the trans-activator responsive region (TAR) of the viral RNA genome. Because TAR is highly conserved and its interaction with Tat is required for efficient viral replication, it has received much attention as an antiviral drug target. Here, we report a 2-aminopurine (2-AP) fluorescence-based assay for evaluating potential TAR inhibitors. Through selective incorporation of 2-AP within the bulge (C23 or U24) of a truncated form of the TAR sequence (Δ TAR-ap23 and Δ TAR-ap24), binding of argininamide, a 24-residue arginine-rich peptide derived from Tat, and Neomycin has been characterized using steady-state fluorescence. Binding of argininamide to the 2-AP ΔTAR constructs results in a four- to 11-fold increase in fluorescence intensity, thus providing a sensitive reporter of that interaction (KD ~ 1 mM). Similarly, binding of the Tat peptide results in an initial 14-fold increase in fluorescence (KD ~ 25 nM), but is then followed by a slight decrease that is attributed to an additional, lower-affinity association(s). Using the ΔTAR-ap23 and TAR-ap24 constructs, two classes of Neomycin binding sites are detected; the first molecule of antibiotic binds as a noncompetitive inhibitor of Tat/argininamide (KD ~ 200 nM), whereas the second, more weakly bound molecule(s) becomes associated in a presumably nonspecific manner (KD ~ 4 μM). Taken together, the results demonstrate that the 2-AP fluorescence-detected binding assays provide accurate and general methods for quantitatively assessing TAR interactions. PMID:15273324

General approach to polymer chains confined by interacting boundaries

NASA Astrophysics Data System (ADS)

Freed, Karl F.; Dudowicz, Jacek; Stukalin, Evgeny B.; Douglas, Jack F.

2010-09-01

Polymer chains, confined to cavities or polymer layers with dimensions less than the chain radius of gyration, appear in many phenomena, such as gel chromatography, rubber elasticity, viscolelasticity of high molar mass polymer melts, the translocation of polymers through nanopores and nanotubes, polymer adsorption, etc. Thus, the description of how the constraints alter polymer thermodynamic properties is a recurrent theoretical problem. A realistic treatment requires the incorporation of impenetrable interacting (attractive or repulsive) boundaries, a process that introduces significant mathematical complications. The standard approach involves developing the generalized diffusion equation description of the interaction of flexible polymers with impenetrable confining surfaces into a discrete eigenfunction expansion, where the solutions are normally truncated at the first mode (the "ground state dominance" approximation). This approximation is mathematically well justified under conditions of strong confinement, i.e., a confinement length scale much smaller than the chain radius of gyration, but becomes unreliable when the polymers are confined to dimensions comparable to their typically nanoscale size. We extend a general approach to describe polymers under conditions of weak to moderate confinement and apply this semianalytic method specifically to determine the thermodynamics and static structure factor for a flexible polymer confined between impenetrable interacting parallel plate boundaries. The method is first illustrated by analyzing chain partitioning between a pore and a large external reservoir, a model system with application to chromatography. Improved agreement is found for the partition coefficients of a polymer chain in the pore geometry. An expression is derived for the structure factor S(k ) in a slit geometry to assist in more accurately estimating chain dimensions from scattering measurements for thin polymer films.

Enhancing light-atom interactions via atomic bunching

NASA Astrophysics Data System (ADS)

Schmittberger, Bonnie L.; Gauthier, Daniel J.

2014-07-01

There is a broad interest in enhancing the strength of light-atom interactions to the point where injecting a single photon induces a nonlinear material response. Here we show theoretically that sub-Doppler-cooled two-level atoms that are spatially organized by weak optical fields give rise to a nonlinear material response that is greatly enhanced beyond that attainable in a homogeneous gas. Specifically, in the regime where the intensity of the applied optical fields is much less than the off-resonance saturation intensity, we show that the third-order nonlinear susceptibility scales inversely with atomic temperature and, due to this scaling, can be two orders of magnitude larger than that of a homogeneous gas for typical experimental parameters. As a result, we predict that spatially bunched two-level atoms can exhibit single-photon nonlinearities. Our model is valid for all regimes of atomic bunching and simultaneously accounts for the backaction of the atoms on the optical fields. Our results agree with previous theoretical and experimental results for light-atom interactions that have considered only limited regimes of atomic bunching. For lattice beams tuned to the low-frequency side of the atomic transition, we find that the nonlinearity transitions from a self-focusing type to a self-defocusing type at a critical intensity. We also show that higher than third-order nonlinear optical susceptibilities are significant in the regime where the dipole potential energy is on the order of the atomic thermal energy. We therefore find that it is crucial to retain high-order nonlinearities to accurately predict interactions of laser fields with spatially organized ultracold atoms. The model presented here is a foundation for modeling low-light-level nonlinear optical processes for ultracold atoms in optical lattices.

Crystal structure of (2E)-3-[4-(di-methyl-amino)-phen-yl]-1-(thio-phen-2-yl)prop-2-en-1-one.

PubMed

de Oliveira, Gabriela Porto; Bresolin, Leandro; Flores, Darlene Correia; de Farias, Renan Lira; de Oliveira, Adriano Bof

2017-04-01

The equimolar reaction between 4-(di-methyl-amino)-benzaldehyde and 2-acetyl-thio-phene in basic ethano-lic solution yields the title compound, C 15 H 15 NOS, whose mol-ecular structure matches the asymmetric unit. The mol-ecule is not planar, the dihedral angle between the aromatic and the thio-phene rings being 11.4 (2)°. In the crystal, mol-ecules are linked by C-H⋯O and weak C-H⋯S inter-actions along [100], forming R 2 2 (8) rings, and by weak C-H⋯O inter-actions along [010], forming chains with a C (6) graph-set motif. In addition, mol-ecules are connected into centrosymmetric dimers by weak C-H⋯π inter-actions, as indicated by the Hirshfeld surface analysis. The most important contributions for the crystal structure are the H⋯H (46.50%) and H⋯C (23.40%) inter-actions. The crystal packing resembles a herringbone arrangement when viewed along [100]. A mol-ecular docking calculation of the title compound with the neuraminidase enzyme was carried out. The enzyme shows ( ASN263 )N-H⋯O, ( PRO245 )C-H⋯ Cg (thio-phene ring) and ( AGR287 )C-H⋯N inter-molecular inter-actions with the title compound. The crystal structure was refined as a two-component twin with a fractional contribution to the minor domain of 0.0181 (8).

The Influence of Muscle Weakness on the Association Between Obesity and Inpatient Recovery From Total Hip Arthroplasty.

PubMed

Oosting, Ellen; Hoogeboom, Thomas J; Dronkers, Jaap J; Visser, Marlieke; Akkermans, Reinier P; van Meeteren, Nico L U

2017-06-01

There is ongoing discussion about whether preoperative obesity is negatively associated with inpatient outcomes of total hip arthroplasty (THA). The aim was to investigate the interaction between obesity and muscle strength and the association with postoperative inpatient recovery after THA. Preoperative obesity (body mass index [BMI] >30 kg/m 2 ) and muscle weakness (hand grip strength <20 kg for woman and <30 kg for men) were measured about 6 weeks before THA. Patients with a BMI <18.5 kg/m 2 were excluded. Outcomes were delayed inpatient recovery of activities (>2 days to reach independence of walking) and prolonged length of hospital stay (LOS, >4 days and/or discharge to extended rehabilitation). Univariate and multivariable regression analyses with the independent variables muscle weakness and obesity, and the interaction between obesity and muscle weakness, were performed and corrected for possible confounders. Two hundred and ninety-seven patients were included, 54 (18%) of whom were obese and 21 (7%) who also had muscle weakness. Obesity was not significantly associated with prolonged LOS (odds ratio [OR] 1.36, 95% confidence interval [CI] 0.75-2.47) or prolonged recovery of activities (OR 1.77, 95% CI 0.98-3.22), but the combination of obesity and weakness was significantly associated with prolonged LOS (OR 3.59, 95% CI 1.09-11.89) and prolonged recovery of activities (OR 6.21, 95% CI 1.64-23.65). Obesity is associated with inpatient recovery after THA only in patients with muscle weakness. The results of this study suggest that we should measure muscle strength in addition to BMI (or body composition) to identify patients at risk of prolonged LOS. Copyright © 2017 Elsevier Inc. All rights reserved.

Weak antilocalization of composite fermions in graphene

NASA Astrophysics Data System (ADS)

Laitinen, Antti; Kumar, Manohar; Hakonen, Pertti J.

2018-02-01

We demonstrate experimentally that composite fermions in monolayer graphene display weak antilocalization. Our experiments deal with fractional quantum Hall (FQH) states in high-mobility, suspended graphene Corbino disks in the vicinity of ν =1 /2 . We find a strong temperature dependence of conductivity σ away from half filling, which is consistent with the expected electron-electron interaction-induced gaps in the FQH state. At half filling, however, the temperature dependence of conductivity σ (T ) becomes quite weak, as anticipated for a Fermi sea of composite fermions, and we find a logarithmic dependence of σ on T . The sign of this quantum correction coincides with the weak antilocalization of graphene composite fermions, indigenous to chiral Dirac particles.

Weak Links: Stabilizers of Complex Systems from Proteins to Social Networks

NASA Astrophysics Data System (ADS)

Csermely, Peter

Why do women stabilize our societies? Why can we enjoy and understand Shakespeare? Why are fruitflies uniform? Why do omnivorous eating habits aid our survival? Why is Mona Lisa's smile beautiful? -- Is there any answer to these questions? This book shows that the statement: "weak links stabilize complex systems" holds the answers to all of the surprising questions above. The author (recipientof several distinguished science communication prizes) uses weak (low affinity, low probability) interactions as a thread to introduce a vast varietyof networks from proteins to ecosystems.

Anomalous Quasiparticle Symmetries and Non-Abelian Defects on Symmetrically Gapped Surfaces of Weak Topological Insulators.

PubMed

Mross, David F; Essin, Andrew; Alicea, Jason; Stern, Ady

2016-01-22

We show that boundaries of 3D weak topological insulators can become gapped by strong interactions while preserving all symmetries, leading to Abelian surface topological order. The anomalous nature of weak topological insulator surfaces manifests itself in a nontrivial action of symmetries on the quasiparticles; most strikingly, translations change the anyon types in a manner impossible in strictly 2D systems with the same symmetry. As a further consequence, screw dislocations form non-Abelian defects that trap Z_{4} parafermion zero modes.

Accurate prediction of protein–protein interactions from sequence alignments using a Bayesian method

PubMed Central

Burger, Lukas; van Nimwegen, Erik

2008-01-01

Accurate and large-scale prediction of protein–protein interactions directly from amino-acid sequences is one of the great challenges in computational biology. Here we present a new Bayesian network method that predicts interaction partners using only multiple alignments of amino-acid sequences of interacting protein domains, without tunable parameters, and without the need for any training examples. We first apply the method to bacterial two-component systems and comprehensively reconstruct two-component signaling networks across all sequenced bacteria. Comparisons of our predictions with known interactions show that our method infers interaction partners genome-wide with high accuracy. To demonstrate the general applicability of our method we show that it also accurately predicts interaction partners in a recent dataset of polyketide synthases. Analysis of the predicted genome-wide two-component signaling networks shows that cognates (interacting kinase/regulator pairs, which lie adjacent on the genome) and orphans (which lie isolated) form two relatively independent components of the signaling network in each genome. In addition, while most genes are predicted to have only a small number of interaction partners, we find that 10% of orphans form a separate class of ‘hub' nodes that distribute and integrate signals to and from up to tens of different interaction partners. PMID:18277381

Clinical classification of 103 Japanese patients with Guillain-Barré syndrome.

PubMed

Wakerley, Benjamin R; Kokubun, N; Funakoshi, K; Nagashima, T; Hirata, K; Yuki, N

2016-10-15

Guillain-Barré syndrome (GBS) is the commonest cause of flaccid paralysis worldwide. Miller Fisher syndrome (MFS) is a variant of GBS characterized by ophthalmoplegia and ataxia. Together GBS and MFS form a continuum of discrete and overlapping subtypes, the frequency of which remains unknown. We retrospectively analysed the clinical features (antecedent symptoms, pattern of neurological weakness or ataxia, presence of hypersomnolence) of 103 patients at a single hospital in Japan. Patients were then classified according to new diagnostic criteria (Wakerley et al., 2014). Laboratory data (neurophysiology and anti-ganglioside antibody profiles) were also analysed. According to the new diagnostic criteria, the 103 patients could be classified as follows: classic GBS 73 (71%), pharyngeal-cervical-brachial weakness 2 (2%), acute pharyngeal weakness 0 (0%), paraparetic GBS 1 (1%), bifacial weakness with paraesthesias 1 (1%), polyneuritis cranialis 0 (0%), classic MFS 18 (17%), acute ophthalmoparesis 1 (1%), acute ptosis 0 (0%), acute mydriasis 0 (0%), acute ataxic neuropathy 1 (1%), Bickerstaff brainstem encephalitis 3 (3%), acute ataxic hypersomnolence 0 (0%), GBS and MFS overlap 1 (1%), GBS and Bickerstaff brainstem encephalitis overlap 1 (1%), MFS and pharyngeal-cervical-brachial weakness overlap 1 (1%). Application of the new clinical diagnostic criteria allowed accurate retrospective diagnosis and classification of GBS and MFS subtypes. Copyright © 2016. Published by Elsevier B.V.

U.S. Department of Education, Office of Inspector General Semiannual Report to Congress, April 1-September 30, 2000.

ERIC Educational Resources Information Center

Office of Inspector General (ED), Washington, DC.

This report from the Office of Inspector General (OIG) identifies systemic weaknesses in the operations and programs of the U.S. Department of Education (ED). The office provides accurate financial information to make informed decisions, manage for results, and ensure operation integrity. Vigorous fraud investigations are continuing. Audits reveal…

A comparison of five sampling techniques to estimate surface fuel loading in montane forests

Treesearch

Pamela G. Sikkink; Robert E. Keane

2008-01-01

Designing a fuel-sampling program that accurately and efficiently assesses fuel load at relevant spatial scales requires knowledge of each sample method's strengths and weaknesses.We obtained loading values for six fuel components using five fuel load sampling techniques at five locations in western Montana, USA. The techniques included fixed-area plots, planar...

A physical-based gas-surface interaction model for rarefied gas flow simulation

NASA Astrophysics Data System (ADS)

Liang, Tengfei; Li, Qi; Ye, Wenjing

2018-01-01

Empirical gas-surface interaction models, such as the Maxwell model and the Cercignani-Lampis model, are widely used as the boundary condition in rarefied gas flow simulations. The accuracy of these models in the prediction of macroscopic behavior of rarefied gas flows is less satisfactory in some cases especially the highly non-equilibrium ones. Molecular dynamics simulation can accurately resolve the gas-surface interaction process at atomic scale, and hence can predict accurate macroscopic behavior. They are however too computationally expensive to be applied in real problems. In this work, a statistical physical-based gas-surface interaction model, which complies with the basic relations of boundary condition, is developed based on the framework of the washboard model. In virtue of its physical basis, this new model is capable of capturing some important relations/trends for which the classic empirical models fail to model correctly. As such, the new model is much more accurate than the classic models, and in the meantime is more efficient than MD simulations. Therefore, it can serve as a more accurate and efficient boundary condition for rarefied gas flow simulations.

The MODIS Aerosol Algorithm: Critical Evaluation and Plans for Collection 6

NASA Technical Reports Server (NTRS)

Remer, Lorraine

2010-01-01

For ten years the MODIS aerosol algorithm has been applied to measured MODIS radiances to produce a continuous set of aerosol products, over land and ocean. The MODIS aerosol products are widely used by the scientific and applied science communities for variety of purposes that span operational air quality forecasting in estimates o[ clear-sky direct radiative effects over ocean and aerosol-cloud interactions. The products undergo continual evaluation, including self-consistency checks and comparisons with highly accurate ground-based instruments. The result of these evaluation exercises is a quantitative understanding of the strengths and weaknesses of the retrieval, where and when the products are accurate and the situations where and when accuracy degrades. We intend 10 present results of the most recent critical evaluations including the first comparison of the over ocean products against the shipboard aerosol optical depth measurements of the Marine Aerosol Network (MAN), the demonstration of the lack of sensitivity to size parameter in the over land products and identification of residual problems and regional issues. While the current data set is undergoing evaluation, we are preparing for the next data processing, labeled Collection 6. Collection 6 will include transparent Quality Flags, a 3 km aerosol product and the 500m resolution cloud mask used within the aerosol n:bicvu|. These new products and adjustments to algorithm assumptions should provide users with more options and greater control, as they adapt the product for their own purposes.

Considering High-Tech Exhibits?

ERIC Educational Resources Information Center

Routman, Emily

1994-01-01

Discusses a variety of high-tech exhibit media used in The Living World, an educational facility operated by The Saint Louis Zoo. Considers the strengths and weaknesses of holograms, video, animatronics, video-equipped microscopes, and computer interactives. Computer interactives are treated with special attention. (LZ)

Exploring the Interaction Natures in Plutonyl (VI) Complexes with Topological Analyses of Electron Density

PubMed Central

Du, Jiguang; Sun, Xiyuan; Jiang, Gang

2016-01-01

The interaction natures between Pu and different ligands in several plutonyl (VI) complexes are investigated by performing topological analyses of electron density. The geometrical structures in both gaseous and aqueous phases are obtained with B3LYP functional, and are generally in agreement with available theoretical and experimental results when combined with all-electron segmented all-electron relativistic contracted (SARC) basis set. The Pu–Oyl bond orders show significant linear dependence on bond length and the charge of oxygen atoms in plutonyl moiety. The closed-shell interactions were identified for Pu-Ligand bonds in most complexes with quantum theory of atoms in molecules (QTAIM) analyses. Meanwhile, we found that some Pu–Ligand bonds, like Pu–OH−, show weak covalent. The interactive nature of Pu–ligand bonds were revealed based on the interaction quantum atom (IQA) energy decomposition approach, and our results indicate that all Pu–Ligand interactions is dominated by the electrostatic attraction interaction as expected. Meanwhile it is also important to note that the quantum mechanical exchange-correlation contributions can not be ignored. By means of the non-covalent interaction (NCI) approach it has been found that some weak and repulsion interactions existed in plutonyl(VI) complexes, which can not be distinguished by QTAIM, can be successfully identified. PMID:27077844

Cosmological evolution of a complex scalar field with repulsive or attractive self-interaction

NASA Astrophysics Data System (ADS)

Suárez, Abril; Chavanis, Pierre-Henri

2017-03-01

We study the cosmological evolution of a complex scalar field with a self-interaction potential V (|φ |2) , possibly describing self-gravitating Bose-Einstein condensates, using a fully general relativistic treatment. We generalize the hydrodynamic representation of the Klein-Gordon-Einstein equations in the weak field approximation developed in our previous paper [A. Suárez and P.-H. Chavanis, Phys. Rev. D 92, 023510 (2015), 10.1103/PhysRevD.92.023510]. We establish the general equations governing the evolution of a spatially homogeneous complex scalar field in an expanding background. We show how they can be simplified in the fast oscillation regime (equivalent to the Thomas-Fermi, or semiclassical, approximation) and derive the equation of state of the scalar field in parametric form for an arbitrary potential V (|φ |2) . We explicitly consider the case of a quartic potential with repulsive or attractive self-interaction. For repulsive self-interaction, the scalar field undergoes a stiff matter era followed by a pressureless dark matter era in the weakly self-interacting regime and a stiff matter era followed by a radiationlike era and a pressureless dark matter era in the strongly self-interacting regime. For attractive self-interaction, the scalar field undergoes an inflation era followed by a stiff matter era and a pressureless dark matter era in the weakly self-interacting regime and an inflation era followed by a cosmic stringlike era and a pressureless dark matter era in the strongly self-interacting regime (the inflation era is suggested, not demonstrated). We also find a peculiar branch on which the scalar field emerges suddenly at a nonzero scale factor with a finite energy density. At early times, it behaves as a gas of cosmic strings. At later times, it behaves as dark energy with an almost constant energy density giving rise to a de Sitter evolution. This is due to spintessence. We derive the effective cosmological constant produced by the scalar field. Throughout the paper, we analytically characterize the transition scales of the scalar field and establish the domain of validity of the fast oscillation regime. We analytically confirm and complement the important results of Li, Rindler-Daller, and Shapiro [Phys. Rev. D 89, 083536 (2014), 10.1103/PhysRevD.89.083536]. We determine the phase diagram of a scalar field with repulsive or attractive self-interaction. We show that the transition between the weakly self-interacting regime and the strongly self-interacting regime depends on how the scattering length of the bosons compares with their effective Schwarzschild radius. We also constrain the parameters of the scalar field from astrophysical and cosmological observations. Numerical applications are made for ultralight bosons without self-interaction (fuzzy dark matter), for bosons with repulsive self-interaction, and for bosons with attractive self-interaction (QCD axions and ultralight axions).

Thermodynamics of Yukawa fluids near the one-component-plasma limit

DOE Office of Scientific and Technical Information (OSTI.GOV)

Khrapak, Sergey A.; Aix-Marseille-Université, CNRS, Laboratoire PIIM, UMR 7345, 13397 Marseille Cedex 20; Semenov, Igor L.

Thermodynamics of weakly screened (near the one-component-plasma limit) Yukawa fluids in two and three dimensions is analyzed in detail. It is shown that the thermal component of the excess internal energy of these fluids, when expressed in terms of the properly normalized coupling strength, exhibits the scaling pertinent to the corresponding one-component-plasma limit (the scalings differ considerably between the two- and three-dimensional situations). This provides us with a simple and accurate practical tool to estimate thermodynamic properties of weakly screened Yukawa fluids. Particular attention is paid to the two-dimensional fluids, for which several important thermodynamic quantities are calculated to illustratemore » the application of the approach.« less

Coupled mode effects on energy transfer in weakly coupled, two-temperature plasmas

NASA Astrophysics Data System (ADS)

Vorberger, J.; Gericke, D. O.

2009-08-01

The effects of collective modes on the temperature relaxation in fully ionized, weakly coupled plasmas are investigated. A coupled mode (CM) formula for the electron-ion energy transfer is derived within the random phase approximation and it is shown how it can be evaluated using standard methods. The CM rates are considerably smaller than rates based on Fermi's golden rule for some parameters and identical for others. It is shown how the CM effects are connected to the occurrence of ion acoustic modes and when they occur. Interestingly, CM effects occur also for plasmas with very high electron temperatures; a regime, where the Landau-Spitzer approach is believed to be accurate.

Transonic Shock-Wave/Boundary-Layer Interactions on an Oscillating Airfoil

NASA Technical Reports Server (NTRS)

Davis, Sanford S.; Malcolm, Gerald N.

1980-01-01

Unsteady aerodynamic loads were measured on an oscillating NACA 64A010 airfoil In the NASA Ames 11 by 11 ft Transonic Wind Tunnel. Data are presented to show the effect of the unsteady shock-wave/boundary-layer interaction on the fundamental frequency lift, moment, and pressure distributions. The data show that weak shock waves induce an unsteady pressure distribution that can be predicted quite well, while stronger shock waves cause complex frequency-dependent distributions due to flow separation. An experimental test of the principles of linearity and superposition showed that they hold for weak shock waves while flows with stronger shock waves cannot be superimposed.

New Results from the Search for Low-Mass Weakly Interacting Massive Particles with the CDMS Low Ionization Threshold Experiment

DOE Office of Scientific and Technical Information (OSTI.GOV)

Agnese, R.; Anderson, A. J.; Aramaki, T.

2016-02-01

The CDMS low ionization threshold experiment (CDMSlite) uses cryogenic germanium detectors operated at a relatively high bias voltage to amplify the phonon signal in the search for weakly interacting massive particles (WIMPs). Results are presented from the second CDMSlite run with an exposure of 70 kg day, which reached an energy threshold for electron recoils as low as 56 eV. A fiducialization cut reduces backgrounds below those previously reported by CDMSlite. New parameter space for the WIMP-nucleon spin-independent cross section is excluded for WIMP masses between 1.6 and 5.5 GeV/c^2.

Cooperativity of self-organized Brownian motors pulling on soft cargoes.

PubMed

Orlandi, Javier G; Blanch-Mercader, Carles; Brugués, Jan; Casademunt, Jaume

2010-12-01

We study the cooperative dynamics of Brownian motors moving along a one-dimensional track when an external load is applied to the leading motor, mimicking molecular motors pulling on membrane-bound cargoes in intracellular traffic. Due to the asymmetric loading, self-organized motor clusters form spontaneously. We model the motors with a two-state noise-driven ratchet formulation and study analytically and numerically the collective velocity-force and efficiency-force curves resulting from mutual interactions, mostly hard-core repulsion and weak (nonbinding) attraction. We analyze different parameter regimes including the limits of weak noise, mean-field behavior, rigid coupling, and large numbers of motors, for the different interactions. We present a general framework to classify and quantify cooperativity. We show that asymmetric loading leads generically to enhanced cooperativity beyond the simple superposition of the effects of individual motors. For weakly attracting interactions, the cooperativity is mostly enhanced, including highly coordinated motion of motors and complex nonmonotonic velocity-force curves, leading to self-regulated clusters. The dynamical scenario is enriched by resonances associated to commensurability of different length scales. Large clusters exhibit synchronized dynamics and bidirectional motion. Biological implications are discussed.

Antiparallel Self-Association of a γ,α-Hybrid Peptide: More Relevance of Weak Interactions.

PubMed

Venugopalan, Paloth; Kishore, Raghuvansh

2015-08-01

To learn how a preorganized peptide-based molecular template, together with diverse weak non-covalent interactions, leads to an effective self-association, we investigated the conformational characteristics of a simple γ,α-hybrid model peptide, Boc-γ-Abz-Gly-OMe. The single-crystal X-ray diffraction analysis revealed the existence of a fully extended β-strand-like structure stabilized by two non-conventional C-H⋅⋅⋅O=C intramolecular H-bonds. The 2D (1) H NMR ROESY experiment led us to propose that the flat topology of the urethane-γ-Abz-amide moiety is predominantly preserved in a non-polar environment. The self-association of the energetically more favorable antiparallel β-strand-mimic in solid-state engenders an unusual 'flight of stairs' fabricated through face-to-face and edge-to-edge Ar⋅⋅⋅Ar interactions. In conjunction with FT-IR spectroscopic analysis in chloroform, we highlight that conformationally semi-rigid γ-Abz foldamer in appositely designed peptides may encourage unusual β-strand or β-sheet-like self-association and supramolecular organization stabilized via weak attractive forces. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

8-Anilino-1-naphthalenesulfonate/Layered Double Hydroxide Ultrathin Films: Small Anion Assembly and Its Potential Application as a Fluorescent Biosensor.

PubMed

Zhang, Ping; Li, Ling; Zhao, Yun; Tian, Zeyun; Qin, Yumei; Lu, Jun

2016-09-06

The fluorescent dye 8-anilino-1-naphthalenesulfonate (ANS) is a widely used fluorescent probe molecule for biochemistry analysis. This paper reported the fabrication of ANS/layered double hydroxide nanosheets (ANS/LDH)n ultrathin films (UTFs) via the layer-by-layer small anion assembly technique based on electrostatic interaction and two possible weak interactions: hydrogen-bond and induced electrostatic interactions between ANS and positive-charged LDH nanosheets. The obtained UTFs show a long-range-ordered periodic layered stacking structure and weak fluorescence in dry air or water, but it split into three narrow strong peaks in a weak polarity environment induced by the two-dimensional (2D) confinement effect of the LDH laminate; the fluorescence intensity increases with decreasing the solvent polarity, concomitant with the blue shift of the emission peaks, which show good sensoring reversibility. Meanwhile, the UTFs exhibit selective fluorescence enhancement to the bovine serum albumin (BSA)-like protein biomolecules, and the rate of fluorescence enhancement with the protein concentration is significantly different with the different protein aggregate states. The (ANS/LDH)n UTF has the potential to be a novel type of biological flourescence sensor material.

Smart Polymers with Special Wettability.

PubMed

Chang, Baisong; Zhang, Bei; Sun, Taolei

2017-01-01

Surface wettability plays a key role in addressing issues ranging from basic life activities to our daily life, and thus being able to control it is an attractive goal. Learning from nature, both of its structure and function, brings us much inspiration in designing smart polymers to tackle this major challenge. Life functions particularly depend on biomolecular recognition-induced interfacial properties from the aqueous phase onto either "soft" cell and tissue or "hard" inorganic bone and tooth surfaces. The driving force is noncovalent weak interactions rather than strong covalent combinations. An overview is provided of the weak interactions that perform vital actions in mediating biological processes, which serve as a basis for elaborating multi-component polymers with special wettabilities. The role of smart polymers from molecular recognitions to macroscopic properties are highlighted. The rationale is that highly selective weak interactions are capable of creating a dynamic synergetic communication in the building components of polymers. Biomolecules could selectively induce conformational transitions of polymer chains, and then drive a switching of physicochemical properties, e.g., roughness, stiffness and compositions, which are an integrated embodiment of macroscopic surface wettabilities. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Cooperativity of self-organized Brownian motors pulling on soft cargoes

NASA Astrophysics Data System (ADS)

Orlandi, Javier G.; Blanch-Mercader, Carles; Brugués, Jan; Casademunt, Jaume

2010-12-01

We study the cooperative dynamics of Brownian motors moving along a one-dimensional track when an external load is applied to the leading motor, mimicking molecular motors pulling on membrane-bound cargoes in intracellular traffic. Due to the asymmetric loading, self-organized motor clusters form spontaneously. We model the motors with a two-state noise-driven ratchet formulation and study analytically and numerically the collective velocity-force and efficiency-force curves resulting from mutual interactions, mostly hard-core repulsion and weak (nonbinding) attraction. We analyze different parameter regimes including the limits of weak noise, mean-field behavior, rigid coupling, and large numbers of motors, for the different interactions. We present a general framework to classify and quantify cooperativity. We show that asymmetric loading leads generically to enhanced cooperativity beyond the simple superposition of the effects of individual motors. For weakly attracting interactions, the cooperativity is mostly enhanced, including highly coordinated motion of motors and complex nonmonotonic velocity-force curves, leading to self-regulated clusters. The dynamical scenario is enriched by resonances associated to commensurability of different length scales. Large clusters exhibit synchronized dynamics and bidirectional motion. Biological implications are discussed.