The impact of human-environment interactions on the stability of forest-grassland mosaic ecosystems

PubMed Central

Innes, Clinton; Anand, Madhur; Bauch, Chris T.

2013-01-01

Forest-grassland mosaic ecosystems can exhibit alternative stables states, whereby under the same environmental conditions, the ecosystem could equally well reside either in one state or another, depending on the initial conditions. We develop a mathematical model that couples a simplified forest-grassland mosaic model to a dynamic model of opinions about conservation priorities in a population, based on perceptions of ecosystem rarity. Weak human influence increases the region of parameter space where alternative stable states are possible. However, strong human influence precludes bistability, such that forest and grassland either co-exist at a single, stable equilibrium, or their relative abundance oscillates. Moreover, a perturbation can shift the system from a stable state to an oscillatory state. We conclude that human-environment interactions can qualitatively alter the composition of forest-grassland mosaic ecosystems. The human role in such systems should be viewed as dynamic, responsive element rather than as a fixed, unchanging entity. PMID:24048359

The denaturation and degradation of stable enzymes at high temperatures.

PubMed Central

Daniel, R M; Dines, M; Petach, H H

1996-01-01

Now that enzymes are available that are stable above 100 degrees C it is possible to investigate conformational stability at this temperature, and also the effect of high-temperature degradative reactions in functioning enzymes and the inter-relationship between degradation and denaturation. The conformational stability of proteins depends upon stabilizing forces arising from a large number of weak interactions, which are opposed by an almost equally large destabilizing force due mostly to conformational entropy. The difference between these, the net free energy of stabilization, is relatively small, equivalent to a few interactions. The enhanced stability of very stable proteins can be achieved by an additional stabilizing force which is again equivalent to only a few stabilizing interactions. There is currently no strong evidence that any particular interaction (e.g. hydrogen bonds, hydrophobic interactions) plays a more important role in proteins that are stable at 100 degrees C than in those stable at 50 degrees C, or that the structures of very stable proteins are systematically different from those of less stable proteins. The major degradative mechanisms are deamidation of asparagine and glutamine, and succinamide formation at aspartate and glutamate leading to peptide bond hydrolysis. In addition to being temperature-dependent, these reactions are strongly dependent upon the conformational freedom of the susceptible amino acid residues. Evidence is accumulating which suggests that even at 100 degrees C deamidation and succinamide formation proceed slowly or not at all in conformationally intact (native) enzymes. Whether this is the case at higher temperatures is not yet clear, so it is not known whether denaturation of degradation will set the upper limit of stability for enzymes. PMID:8694749

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.

Metallic phases from disordered (2+1)-dimensional quantum electrodynamics

NASA Astrophysics Data System (ADS)

Goswami, Pallab; Goldman, Hart; Raghu, S.

2017-06-01

Metallic phases have been observed in several disordered two-dimensional (2D) systems, including thin films near superconductor-insulator transitions and quantum Hall systems near plateau transitions. The existence of 2D metallic phases at zero temperature generally requires an interplay of disorder and interaction effects. Consequently, experimental observations of 2D metallic behavior have largely defied explanation. We formulate a general stability criterion for strongly interacting, massless Dirac fermions against disorder, which describe metallic ground states with vanishing density of states. We show that (2+1)-dimensional quantum electrodynamics (QED3) with a large, even number of fermion flavors remains metallic in the presence of weak scalar potential disorder due to the dynamic screening of disorder by gauge fluctuations. We also show that QED3 with weak mass disorder exhibits a stable, dirty metallic phase in which both interactions and disorder play important roles.

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

Combined collapse by bridging and self-adhesion in a prototypical polymer model inspired by the bacterial nucleoid

NASA Astrophysics Data System (ADS)

Scolari, Vittore F.; Cosentino Lagomarsino, Marco

Recent experimental results suggest that the E. coli chromosome feels a self-attracting interaction of osmotic origin, and is condensed in foci by bridging interactions. Motivated by these findings, we explore a generic modeling framework combining solely these two ingredients, in order to characterize their joint effects. Specifically, we study a simple polymer physics computational model with weak ubiquitous short-ranged self attraction and stronger sparse bridging interactions. Combining theoretical arguments and simulations, we study the general phenomenology of polymer collapse induced by these dual contributions, in the case of regularly-spaced bridging. Our results distinguish a regime of classical Flory-like coil-globule collapse dictated by the interplay of excluded volume and attractive energy and a switch-like collapse where bridging interaction compete with entropy loss terms from the looped arms of a star-like rosette. Additionally, we show that bridging can induce stable compartmentalized domains. In these configurations, different "cores" of bridging proteins are kept separated by star-like polymer loops in an entropically favorable multi-domain configuration, with a mechanism that parallels micellar polysoaps. Such compartmentalized domains are stable, and do not need any intra-specific interactions driving their segregation. Domains can be stable also in presence of uniform attraction, as long as the uniform collapse is above its theta point.

Interactions of carbon dioxide with model organic molecules: A comparative theoretical study

NASA Astrophysics Data System (ADS)

Trung, Nguyen Tien; Nguyen, Minh Tho

2013-08-01

Interaction energies obtained using CCSD(T)/aug-cc-pVTZ//MP2/aug-cc-pVTZ computations including both ZPE and BSSE corrections range from -2.9 to -14.2 kJ mol-1. While formic acid forms the most stable complex with CO2, formaldehyde yields the least stable complex. Lewis acid-base interaction such as C-N⋯C(CO2), Cdbnd O⋯C(CO2), which overcomes C-H⋯O blue-shifting hydrogen bond, plays a significant role in stabilizing most complexes. However, the strength of (HCOOH, CO2) is mainly determined by O-H⋯O red-shifting hydrogen bond. The C-H⋯O blue-shifting hydrogen bond is revealed upon complexation of CH3OH, HCHO, HCOOH, CH3COCH3 and HCOOCH3 with CO2. Remarkably, existence of weak hydrogen bonded C-H⋯O interaction is not found in the (CH3OCH3, CO2) and (CH3NH2, CO2) pairs.

The zero age main sequence of WIMP burners

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

Fairbairn, Malcolm; Scott, Pat; Edsjoe, Joakim

2008-02-15

We modify a stellar structure code to estimate the effect upon the main sequence of the accretion of weakly-interacting dark matter onto stars and its subsequent annihilation. The effect upon the stars depends upon whether the energy generation rate from dark matter annihilation is large enough to shut off the nuclear burning in the star. Main sequence weakly-interacting massive particles (WIMP) burners look much like proto-stars moving on the Hayashi track, although they are in principle completely stable. We make some brief comments about where such stars could be found, how they might be observed and more detailed simulations whichmore » are currently in progress. Finally we comment on whether or not it is possible to link the paradoxically hot, young stars found at the galactic center with WIMP burners.« less

Dynamically stable multiply quantized vortices in dilute Bose-Einstein condensates

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

Huhtamaeki, J. A. M.; Virtanen, S. M. M.; Moettoenen, M.

2006-12-15

Multiquantum vortices in dilute atomic Bose-Einstein condensates confined in long cigar-shaped traps are known to be both energetically and dynamically unstable. They tend to split into single-quantum vortices even in the ultralow temperature limit with vanishingly weak dissipation, which has also been confirmed in the recent experiments [Y. Shin et al., Phys. Rev. Lett. 93, 160406 (2004)] utilizing the so-called topological phase engineering method to create multiquantum vortices. We study the stability properties of multiquantum vortices in different trap geometries by solving the Bogoliubov excitation spectra for such states. We find that there are regions in the trap asymmetry andmore » condensate interaction strength plane in which the splitting instability of multiquantum vortices is suppressed, and hence they are dynamically stable. For example, the doubly quantized vortex can be made dynamically stable even in spherical traps within a wide range of interaction strength values. We expect that this suppression of vortex-splitting instability can be experimentally verified.« less

Complete energy conversion by autoresonant three-wave mixing in nonuniform media.

PubMed

Yaakobi, O; Caspani, L; Clerici, M; Vidal, F; Morandotti, R

2013-01-28

Resonant three-wave interactions appear in many fields of physics e.g. nonlinear optics, plasma physics, acoustics and hydrodynamics. A general theory of autoresonant three-wave mixing in a nonuniform media is derived analytically and demonstrated numerically. It is shown that due to the medium nonuniformity, a stable phase-locked evolution is automatically established. For a weak nonuniformity, the efficiency of the energy conversion between the interacting waves can reach almost 100%. One of the potential applications of our theory is the design of highly-efficient optical parametric amplifiers.

Weak lasing in one-dimensional polariton superlattices.

PubMed

Zhang, Long; Xie, Wei; Wang, Jian; Poddubny, Alexander; Lu, Jian; Wang, Yinglei; Gu, Jie; Liu, Wenhui; Xu, Dan; Shen, Xuechu; Rubo, Yuri G; Altshuler, Boris L; Kavokin, Alexey V; Chen, Zhanghai

2015-03-31

Bosons with finite lifetime exhibit condensation and lasing when their influx exceeds the lasing threshold determined by the dissipative losses. In general, different one-particle states decay differently, and the bosons are usually assumed to condense in the state with the longest lifetime. Interaction between the bosons partially neglected by such an assumption can smear the lasing threshold into a threshold domain--a stable lasing many-body state exists within certain intervals of the bosonic influxes. This recently described weak lasing regime is formed by the spontaneously symmetry breaking and phase-locking self-organization of bosonic modes, which results in an essentially many-body state with a stable balance between gains and losses. Here we report, to our knowledge, the first observation of the weak lasing phase in a one-dimensional condensate of exciton-polaritons subject to a periodic potential. Real and reciprocal space photoluminescence images demonstrate that the spatial period of the condensate is twice as large as the period of the underlying periodic potential. These experiments are realized at room temperature in a ZnO microwire deposited on a silicon grating. The period doubling takes place at a critical pumping power, whereas at a lower power polariton emission images have the same periodicity as the grating.

On the interaction of Tollmien-Schlichting waves in axisymmetric supersonic flows

NASA Technical Reports Server (NTRS)

Duck, P. W.; Hall, P.

1988-01-01

Two-dimensional lower branch Tollmien-Schlichting waves described by triple-deck theory are always stable for planar supersonic flows. The possible occurrence of axisymmetric unstable modes in the supersonic flow around an axisymmetric body is investigated. In particular flows around bodies with typical radii comparable with the thickness of the upper deck are considered. It is shown that such unstable modes exist below a critical nondimensional radius of the body a sub 0. At values of the radius above a sub 0 all the modes are stable while if unstable modes exist they are found to occur in pairs. The interaction of these modes in the nonlinear regime is investigated using a weakly nonlinear approach and it is found that, dependent on the frequencies of the imposed Tollmien-Schlichting waves, either of the modes can be set up.

On the interaction of Tollmien-Schlichting waves in axisymmetric supersonic flows

NASA Technical Reports Server (NTRS)

Duck, P. W.; Hall, P.

1989-01-01

Two-dimensional lower branch Tollmien-Schlichting waves described by triple-deck theory are always stable for planar supersonic flows. The possible occurrence of axisymmetric unstable modes in the supersonic flow around an axisymmetric body is investigated. In particular flows around bodies with typical radii comparable with the thickness of the upper deck are considered. It is shown that such unstable modes exist below a critical nondimensional radius of the body a sub O. At values of the radius above a sub O all the modes are stable while if unstable modes exist they are found to occur in pairs. The interaction of these modes in the nonlinear regime is investigated using a weakly nonlinear approach and it is found that, dependent on the frequencies of the imposed Tollmien-Schlichting waves, either of the modes can be set up.

Concentrated dispersions of equilibrium protein nanoclusters that reversibly dissociate into active monomers

NASA Astrophysics Data System (ADS)

Truskett, Thomas M.; Johnston, Keith; Maynard, Jennifer; Borwankar, Ameya; Miller, Maria; Wilson, Brian; Dinin, Aileen; Khan, Tarik; Kaczorowski, Kevin

2012-02-01

Stabilizing concentrated protein solutions is of wide interest in drug delivery. However, a major challenge is how to reliably formulate concentrated, low viscosity (i.e., syringeable) solutions of biologically active proteins. Unfortunately, proteins typically undergo irreversible aggregation at intermediate concentrations of 100-200 mg/ml. In this talk, I describe how they can effectively avoid these intermediate concentrations by reversibly assembling into nanoclusters. Nanocluster assembly is achieved by balancing short-ranged, cosolute-induced attractions with weak, longer-ranger electrostatic repulsions near the isoelectric point. Theory predicts that native proteins are stabilized by a self-crowding mechanism within the concentrated environment of the nanoclusters, while weak cluster-cluster interactions can result in colloidally-stable dispersions with moderate viscosities. I present experimental results where this strategy is used to create concentrated antibody dispersions (up to 260 mg/ml) comprising nanoclusters of proteins [monoclonal antibody 1B7, polyclonal sheep Immunoglobin G and bovine serum albumin], which upon dilution in vitro or administration in vivo, are conformationally stable and retain activity.

Subsurface Characterization using Geophysical Seismic Refraction Survey for Slope Stabilization Design with Soil Nailing

NASA Astrophysics Data System (ADS)

Ashraf Mohamad Ismail, Mohd; Ng, Soon Min; Hazreek Zainal Abidin, Mohd; Madun, Aziman

2018-04-01

The application of geophysical seismic refraction for slope stabilization design using soil nailing method was demonstrated in this study. The potential weak layer of the study area is first identify prior to determining the appropriate length and location of the soil nail. A total of 7 seismic refraction survey lines were conducted at the study area with standard procedures. The refraction data were then analyzed by using the Pickwin and Plotrefa computer software package to obtain the seismic velocity profiles distribution. These results were correlated with the complementary borehole data to interpret the subsurface profile of the study area. It has been identified that layer 1 to 3 is the potential weak zone susceptible to slope failure. Hence, soil nails should be installed to transfer the tensile load from the less stable layer 3 to the more stable layer 4. The soil-nail interaction will provide a reinforcing action to the soil mass thereby increasing the stability of the slope.

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.

Stable Molecular Diodes Based on π-π Interactions of the Molecular Frontier Orbitals with Graphene Electrodes.

PubMed

Song, Peng; Guerin, Sarah; Tan, Sherman Jun Rong; Annadata, Harshini Venkata; Yu, Xiaojiang; Scully, Micheál; Han, Ying Mei; Roemer, Max; Loh, Kian Ping; Thompson, Damien; Nijhuis, Christian A

2018-03-01

In molecular electronics, it is important to control the strength of the molecule-electrode interaction to balance the trade-off between electronic coupling strength and broadening of the molecular frontier orbitals: too strong coupling results in severe broadening of the molecular orbitals while the molecular orbitals cannot follow the changes in the Fermi levels under applied bias when the coupling is too weak. Here, a platform based on graphene bottom electrodes to which molecules can bind via π-π interactions is reported. These interactions are strong enough to induce electronic function (rectification) while minimizing broadening of the molecular frontier orbitals. Molecular tunnel junctions are fabricated based on self-assembled monolayers (SAMs) of Fc(CH 2 ) 11 X (Fc = ferrocenyl, X = NH 2 , Br, or H) on graphene bottom electrodes contacted to eutectic alloy of gallium and indium top electrodes. The Fc units interact more strongly with graphene than the X units resulting in SAMs with the Fc at the bottom of the SAM. The molecular diodes perform well with rectification ratios of 30-40, and they are stable against bias stressing under ambient conditions. Thus, tunnel junctions based on graphene with π-π molecule-electrode coupling are promising platforms to fabricate stable and well-performing molecular diodes. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

An upper limit on the neutrino rest mass.

NASA Technical Reports Server (NTRS)

Cowsik, R.; Mcclelland, J.

1972-01-01

It is pointed out that the measurement of the deceleration parameter by Sandage (1972) implies an upper limit of a few tens of electron volts on the sum of the masses of all the possible light, stable particles that interact only weakly. In the discussion of the problem, it is assumed that the universe is expanding from an initially hot and condensed state as envisaged in the 'big-bang' theories.

Evaluating the Energetic Driving Force for Cocrystal Formation

PubMed Central

2017-01-01

We present a periodic density functional theory study of the stability of 350 organic cocrystals relative to their pure single-component structures, the largest study of cocrystals yet performed with high-level computational methods. Our calculations demonstrate that cocrystals are on average 8 kJ mol–1 more stable than their constituent single-component structures and are very rarely (<5% of cases) less stable; cocrystallization is almost always a thermodynamically favorable process. We consider the variation in stability between different categories of systems—hydrogen-bonded, halogen-bonded, and weakly bound cocrystals—finding that, contrary to chemical intuition, the presence of hydrogen or halogen bond interactions is not necessarily a good predictor of stability. Finally, we investigate the correlation of the relative stability with simple chemical descriptors: changes in packing efficiency and hydrogen bond strength. We find some broad qualitative agreement with chemical intuition—more densely packed cocrystals with stronger hydrogen bonding tend to be more stable—but the relationship is weak, suggesting that such simple descriptors do not capture the complex balance of interactions driving cocrystallization. Our conclusions suggest that while cocrystallization is often a thermodynamically favorable process, it remains difficult to formulate general rules to guide synthesis, highlighting the continued importance of high-level computation in predicting and rationalizing such systems. PMID:29445316

Long-Range Self-Assembly via the Mutual Lorentz Force of Plasmon Radiation.

PubMed

Ji, Haojie; Trevino, Jacob; Tu, Raymond; Knapp, Ellen; McQuade, James; Yurkiv, Vitaliy; Mashayek, Farzad; Vuong, Luat T

2018-04-11

Long-range interactions often proceed as a sequence of hopping through intermediate, statistically favored events. Here, we demonstrate predictable mechanical dynamics of particles that arise from the Lorentz force between plasmons. Even if the radiation is weak, the nonconservative Lorentz force produces stable locations perpendicular to the plasmon oscillation; over time, distinct patterns emerge. Experimentally, linearly polarized light illumination leads to the formation of 80 nm diameter Au nanoparticle chains, perpendicularly aligned, with lengths that are orders of magnitude greater than their plasmon near-field interaction. There is a critical intensity threshold and optimal concentration for observing self-assembly.

Tuning calcite morphology and growth acceleration by a rational design of highly stable protein-mimetics

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

Chen, Chunlong; Qi, Jiahui; Tao, Jinhui

2014-09-05

In nature, proteins play a significant role in biomineral formation. One of the ultimate goals of bioinspired materials science is to develop highly stable synthetic molecules that mimic the function of these natural proteins by controlling crystal formation. Here, we demonstrate that both the morphology and the degree of acceleration or inhibition observed during growth of calcite in the presence of peptoids can be rationally tuned by balancing the electrostatic interactions (EI) and hydrophobic interactions (HI), with HI playing the dominant role. While either strong EI or HI inhibit growth and suppress (104) face expression, correlations between peptoid-crystal binding energiesmore » and observed changes in calcite growth indicate moderate EI allow peptoids to weakly adsorb while moderate HI cause disruption of surface-adsorbed water layers, leading to growth acceleration with retained expression of (104) faces. This study provides fundamental principles for designing peptoids as crystallization promoters, and offers a straightforward screening method based on macroscopic crystal morphology. Because peptoids are sequence-specific, highly stable, and easily synthesized, peptoid-enhanced crystallization offers a broad range of potential applications.« less

Weak lasing in one-dimensional polariton superlattices

PubMed Central

Zhang, Long; Xie, Wei; Wang, Jian; Poddubny, Alexander; Lu, Jian; Wang, Yinglei; Gu, Jie; Liu, Wenhui; Xu, Dan; Shen, Xuechu; Rubo, Yuri G.; Altshuler, Boris L.; Kavokin, Alexey V.; Chen, Zhanghai

2015-01-01

Bosons with finite lifetime exhibit condensation and lasing when their influx exceeds the lasing threshold determined by the dissipative losses. In general, different one-particle states decay differently, and the bosons are usually assumed to condense in the state with the longest lifetime. Interaction between the bosons partially neglected by such an assumption can smear the lasing threshold into a threshold domain—a stable lasing many-body state exists within certain intervals of the bosonic influxes. This recently described weak lasing regime is formed by the spontaneously symmetry breaking and phase-locking self-organization of bosonic modes, which results in an essentially many-body state with a stable balance between gains and losses. Here we report, to our knowledge, the first observation of the weak lasing phase in a one-dimensional condensate of exciton–polaritons subject to a periodic potential. Real and reciprocal space photoluminescence images demonstrate that the spatial period of the condensate is twice as large as the period of the underlying periodic potential. These experiments are realized at room temperature in a ZnO microwire deposited on a silicon grating. The period doubling takes place at a critical pumping power, whereas at a lower power polariton emission images have the same periodicity as the grating. PMID:25787253

Matrix Isolation and ab initio study of the noncovalent complexes between formamide and acetylene.

PubMed

Mardyukov, Artur; Sánchez-García, Elsa; Sander, Wolfram

2009-02-12

Matrix isolation spectroscopy in combination with ab initio calculations is a powerful technique for the identification of weakly bound intermolecular complexes. Here, weak complexes between formamide and acetylene are studied, and three 1:1 complexes with binding energies of -2.96, -2.46, and -1.79 kcal/mol have been found at the MP2 level of theory (MP2/cc-pVTZ + ZPE + BSSE). The two most stable dimers A and B are identified in argon and nitrogen matrices by comparison between the experimental and calculated infrared frequencies. Both complexes are stabilized by the formamide C=O...HC acetylene and H...pi interactions. Large shifts have been observed experimentally for the C-H stretching vibrations of the acetylene molecule, in very good agreement with the calculated values. Eight 1:2 FMA-acetylene trimers (T-A to T-H) with binding energies between -5.44 and -2.62 kcal/mol (MP2/aug-cc-pVDZ + ZPE + BSSE) were calculated. The two most stable trimers T-A and T-B are very close in energy and have similar infrared spectra. Several weak bands that are in agreement with the calculated frequencies of the trimers T-A and T-B are observed under matrix isolation conditions. However, the differences are too small for a definitive assignment.

Evolution and polymorphism in the multilocus Levene model with no or weak epistasis.

PubMed

Bürger, Reinhard

2010-09-01

Evolution and the maintenance of polymorphism under the multilocus Levene model with soft selection are studied. The number of loci and alleles, the number of demes, the linkage map, and the degree of dominance are arbitrary, but epistasis is absent or weak. We prove that, without epistasis and under mild, generic conditions, every trajectory converges to a stationary point in linkage equilibrium. Consequently, the equilibrium and stability structure can be determined by investigating the much simpler gene-frequency dynamics on the linkage-equilibrium manifold. For a haploid species an analogous result is shown. For weak epistasis, global convergence to quasi-linkage equilibrium is established. As an application, the maintenance of multilocus polymorphism is explored if the degree of dominance is intermediate at every locus and epistasis is absent or weak. If there are at least two demes, then arbitrarily many multiallelic loci can be maintained polymorphic at a globally asymptotically stable equilibrium. Because this holds for an open set of parameters, such equilibria are structurally stable. If the degree of dominance is not only intermediate but also deme independent, and loci are diallelic, an open set of parameters yielding an internal equilibrium exists only if the number of loci is strictly less than the number of demes. Otherwise, a fully polymorphic equilibrium exists only nongenerically, and if it exists, it consists of a manifold of equilibria. Its dimension is determined. In the absence of genotype-by-environment interaction, however, a manifold of equilibria occurs for an open set of parameters. In this case, the equilibrium structure is not robust to small deviations from no genotype-by-environment interaction. In a quantitative-genetic setting, the assumptions of no epistasis and intermediate dominance are equivalent to assuming that in every deme directional selection acts on a trait that is determined additively, i.e., by nonepistatic loci with dominance. Some of our results are exemplified in this quantitative-genetic context. Copyright 2010 Elsevier Inc. All rights reserved.

First Principles based methods and applications for realistic simulations on complex soft materials to develop new materials for energy, health, and environmental sustainability

NASA Astrophysics Data System (ADS)

Goddard, William

2013-03-01

For soft materials applications it is essential to obtain accurate descriptions of the weak (London dispersion, electrostatic) interactions between nonbond units, to include interactions with and stabilization by solvent, and to obtain accurate free energies and entropic changes during chemical, physical, and thermal processing. We will describe some of the advances being made in first principles based methods for treating soft materials with applications selected from new organic electrodes and electrolytes for batteries and fuel cells, forward osmosis for water cleanup, extended matter stable at ambient conditions, and drugs for modulating activation of GCPR membrane proteins,

Quantum liquid droplets in a mixture of Bose-Einstein condensates

NASA Astrophysics Data System (ADS)

Cabrera, C. R.; Tanzi, L.; Sanz, J.; Naylor, B.; Thomas, P.; Cheiney, P.; Tarruell, L.

2018-01-01

Quantum droplets are small clusters of atoms self-bound by the balance of attractive and repulsive forces. Here, we report on the observation of droplets solely stabilized by contact interactions in a mixture of two Bose-Einstein condensates. We demonstrate that they are several orders of magnitude more dilute than liquid helium by directly measuring their size and density via in situ imaging. We show that the droplets are stablized against collapse by quantum fluctuations and that they require a minimum atom number to be stable. Below that number, quantum pressure drives a liquid-to-gas transition that we map out as a function of interaction strength. These ultradilute isotropic liquids remain weakly interacting and constitute an ideal platform to benchmark quantum many-body theories.

Covalent intermolecular interaction of the nitric oxide dimer (NO)2

NASA Astrophysics Data System (ADS)

Zhang, Hui; Zheng, Gui-Li; Lv, Gang; Geng, Yi-Zhao; Ji, Qing

2015-09-01

Covalent bonds arise from the overlap of the electronic clouds in the internucleus region, which is a pure quantum effect and cannot be obtained in any classical way. If the intermolecular interaction is of covalent character, the result from direct applications of classical simulation methods to the molecular system would be questionable. Here, we analyze the special intermolecular interaction between two NO molecules based on quantum chemical calculation. This weak intermolecular interaction, which is of covalent character, is responsible for the formation of the NO dimer, (NO)2, in its most stable conformation, a cis conformation. The natural bond orbital (NBO) analysis gives an intuitive illustration of the formation of the dimer bonding and antibonding orbitals concomitant with the breaking of the π bonds with bond order 0.5 of the monomers. The dimer bonding is counteracted by partially filling the antibonding dimer orbital and the repulsion between those fully or nearly fully occupied nonbonding dimer orbitals that make the dimer binding rather weak. The direct molecular mechanics (MM) calculation with the UFF force fields predicts a trans conformation as the most stable state, which contradicts the result of quantum mechanics (QM). The lesson from the investigation of this special system is that for the case where intermolecular interaction is of covalent character, a specific modification of the force fields of the molecular simulation method is necessary. Project supported by the National Natural Science Foundation of China (Grant Nos. 90403007 and 10975044), the Key Subject Construction Project of Hebei Provincial Universities, China, the Research Project of Hebei Education Department, China (Grant Nos. Z2012067 and Z2011133), the National Natural Science Foundation of China (Grant No. 11147103), and the Open Project Program of State Key Laboratory of Theoretical Physics, Institute of Theoretical Physics, Chinese Academy of Sciences, China (Grant No. Y5KF211CJ1).

Programed dynamical ordering in self-organization processes of a nanocube: a molecular dynamics study.

PubMed

Harada, Ryuhei; Mashiko, Takako; Tachikawa, Masanori; Hiraoka, Shuichi; Shigeta, Yasuteru

2018-04-04

Self-organization processes of a gear-shaped amphiphile molecule (1) to form a hexameric structure (nanocube, 16) were inferred from sequential dissociation processes by using molecular dynamics (MD) simulations. Our MD study unveiled that programed dynamic ordering exists in the dissociation processes of 16. According to the dissociation processes, it is proposed that triple π-stacking among three 3-pyridyl groups and other weak molecular interactions such as CH-π and van der Waals interactions, some of which arise from the solvophobic effect, were sequentially formed in stable and transient oligomeric states in the self-organization processes, i.e.12, 13, 14, and 15. By subsequent analyses on structural stabilities, it was found that 13 and 14 are stable intermediate oligomers, whereas 12 and 15 are transient ones. Thus, the formation of 13 from three monomers and of 16 from 14 and two monomers via corresponding transients is time consuming in the self-assembly process.

Quantum-memory-assisted entropic uncertainty in spin models with Dzyaloshinskii-Moriya interaction

NASA Astrophysics Data System (ADS)

Huang, Zhiming

2018-02-01

In this article, we investigate the dynamics and correlations of quantum-memory-assisted entropic uncertainty, the tightness of the uncertainty, entanglement, quantum correlation and mixedness for various spin chain models with Dzyaloshinskii-Moriya (DM) interaction, including the XXZ model with DM interaction, the XY model with DM interaction and the Ising model with DM interaction. We find that the uncertainty grows to a stable value with growing temperature but reduces as the coupling coefficient, anisotropy parameter and DM values increase. It is found that the entropic uncertainty is closely correlated with the mixedness of the system. The increasing quantum correlation can result in a decrease in the uncertainty, and the robustness of quantum correlation is better than entanglement since entanglement means sudden birth and death. The tightness of the uncertainty drops to zero, apart from slight volatility as various parameters increase. Furthermore, we propose an effective approach to steering the uncertainty by weak measurement reversal.

Head-on collision of the second mode internal solitary waves

NASA Astrophysics Data System (ADS)

Terletska, Kateryna; Maderich, Vladimir; Jung, Kyung Tae

2017-04-01

Second mode internal waves are widespread in offshore areas, and they frequently follow the first mode internal waves on the oceanic shelf. Large amplitude internal solitary waves (ISW) of second mode containing trapped cores associated with closed streamlines can also transport plankton and nutrients. An interaction of ISWs with trapped cores takes place in a specific manner. It motivated us to carry out a computational study of head-on collision of ISWs of second mode propagating in a laboratory-scale numerical tank using the nonhydrostatic 3D numerical model based on the Navier-Stokes equations for a continuously stratified fluid. Three main classes of ISW of second mode propagating in the pycnocline layer of thickness h between homogeneous deep layers can be identified: (i) the weakly nonlinear waves; (ii) the stable strongly nonlinear waves with trapped cores; and (iii) the shear unstable strongly nonlinear waves (Maderich et al., 2015). Four interaction regimes for symmetric collision were separated from simulation results using this classification: (A) an almost elastic interaction of the weakly nonlinear waves; (B) a non-elastic interaction of waves with trapped cores when ISW amplitudes were close to critical non-dimensional amplitude a/h; (C) an almost elastic interaction of stable strongly nonlinear waves with trapped cores; (D) non-elastic interaction of the unstable strongly nonlinear waves. The unexpected result of simulation was that relative loss of energy due to the collision was maximal for regime B. New regime appeared when ISW of different amplitudes belonged to class (ii) collide. In result of interaction the exchange of mass between ISW occurred: the trapped core of smaller wave was entrained by core of larger ISW without mixing forming a new ISW of larger amplitude whereas in smaller ISW core of smaller wave totally substituted by fluid from larger wave. Overall, the wave characteristics induced by head-on collision agree well with the results of several available laboratory experiments. References [1] V. Maderich, K. T. Jung, K. Terletska, I. Brovchenko, T. Talipova, "Incomplete similarity of internal solitary waves with trapped core," Fluid Dynamics Research 47, 035511 (2015).

Detection and characterization of nonspecific, sparsely-populated binding modes in the early stages of complexation

PubMed Central

Cardone, A.; Bornstein, A.; Pant, H. C.; Brady, M.; Sriram, R.; Hassan, S. A.

2015-01-01

A method is proposed to study protein-ligand binding in a system governed by specific and non-specific interactions. Strong associations lead to narrow distributions in the proteins configuration space; weak and ultra-weak associations lead instead to broader distributions, a manifestation of non-specific, sparsely-populated binding modes with multiple interfaces. The method is based on the notion that a discrete set of preferential first-encounter modes are metastable states from which stable (pre-relaxation) complexes at equilibrium evolve. The method can be used to explore alternative pathways of complexation with statistical significance and can be integrated into a general algorithm to study protein interaction networks. The method is applied to a peptide-protein complex. The peptide adopts several low-population conformers and binds in a variety of modes with a broad range of affinities. The system is thus well suited to analyze general features of binding, including conformational selection, multiplicity of binding modes, and nonspecific interactions, and to illustrate how the method can be applied to study these problems systematically. The equilibrium distributions can be used to generate biasing functions for simulations of multiprotein systems from which bulk thermodynamic quantities can be calculated. PMID:25782918

Self-organized magnetic particles to tune the mechanical behavior of a granular system

NASA Astrophysics Data System (ADS)

Cox, Meredith; Wang, Dong; Barés, Jonathan; Behringer, Robert P.

2016-09-01

Above a certain density a granular material jams. This property can be controlled by either tuning a global property, such as the packing fraction or by applying shear strain, or at the micro-scale by tuning grain shape, inter-particle friction or externally controlled organization. Here, we introduce a novel way to change a local granular property by adding a weak anisotropic magnetic interaction between particles. We measure the evolution of the pressure, P, and coordination number, Z, for a packing of 2D photo-elastic disks, subject to uniaxial compression. A fraction R m of the particles have embedded cuboidal magnets. The strength of the magnetic interactions between particles is too weak to have a strong direct effect on P or Z when the system is jammed. However, the magnetic interactions play an important role in the evolution of latent force networks when systems containing a large enough fraction of the particles with magnets are driven through unjammed to jammed states. In this case, a statistically stable network of magnetic chains self-organizes before jamming and overlaps with force chains once jamming occurs, strengthening the granular medium. This property opens a novel way to control mechanical properties of granular materials.

Magic tilt angle for stabilizing two-dimensional solitons by dipole-dipole interactions

NASA Astrophysics Data System (ADS)

Chen, Xing-You; Chuang, You-Lin; Lin, Chun-Yan; Wu, Chien-Ming; Li, Yongyao; Malomed, Boris A.; Lee, Ray-Kuang

2017-10-01

In the framework of the Gross-Pitaevskii equation, we study the formation and stability of effectively two-dimensional solitons in dipolar Bose-Einstein condensates (BECs), with dipole moments polarized at an arbitrary angle θ relative to the direction normal to the system's plane. Using numerical methods and the variational approximation, we demonstrate that unstable Townes solitons, created by the contact attractive interaction, may be completely stabilized (with an anisotropic shape) by the dipole-dipole interaction (DDI), in the interval θcr<θ ≤π /2 . The stability boundary θcr weakly depends on the relative strength of the DDI, remaining close to the magic angle θm=arccos(1 /√{3 }) . The results suggest that DDIs provide a generic mechanism for the creation of stable BEC solitons in higher dimensions.

Design of stereoelectronically promoted super lewis acids and unprecedented chemistry of their complexes.

PubMed

Foroutan-Nejad, Cina; Vicha, Jan; Marek, Radek

2014-09-01

A new family of stereoelectronically promoted aluminum and scandium super Lewis acids is introduced on the basis of state-of-the-art computations. Structures of these molecules are designed to minimize resonance electron donation to central metal atoms in the Lewis acids. Acidity of these species is evaluated on the basis of their fluoride-ion affinities relative to the antimony pentafluoride reference system. It is demonstrated that introduced changes in the stereochemistry of the designed ligands increase acidity considerably relative to Al and Sc complexes with analogous monodentate ligands. The high stability of fluoride complexes of these species makes them ideal candidates to be used as weakly coordinating anions in combination with highly reactive cations instead of conventional Lewis acid-fluoride complexes. Further, the interaction of all designed molecules with methane is investigated. All studied acids form stable pentavalent-carbon complexes with methane. In addition, interactions of the strongest acid of this family with very weak bases, namely, H2, N2, carbon oxides, and noble gases were investigated; it is demonstrated that this compound can form considerably stable complexes with the aforementioned molecules. To the best of our knowledge, carbonyl and nitrogen complexes of this species are the first hypothetical four-coordinated carbonyl and nitrogen complexes of aluminum. The nature of bonding in these systems is studied in detail by various bonding analysis approaches. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Early Warning Signals for Regime Transition in the Stable Boundary Layer: A Model Study

NASA Astrophysics Data System (ADS)

van Hooijdonk, I. G. S.; Moene, A. F.; Scheffer, M.; Clercx, H. J. H.; van de Wiel, B. J. H.

2017-02-01

The evening transition is investigated in an idealized model for the nocturnal boundary layer. From earlier studies it is known that the nocturnal boundary layer may manifest itself in two distinct regimes, depending on the ambient synoptic conditions: strong-wind or overcast conditions typically lead to weakly stable, turbulent nights; clear-sky and weak-wind conditions, on the other hand, lead to very stable, weakly turbulent conditions. Previously, the dynamical behaviour near the transition between these regimes was investigated in an idealized setting, relying on Monin-Obukhov (MO) similarity to describe turbulent transport. Here, we investigate a similar set-up, using direct numerical simulation; in contrast to MO-based models, this type of simulation does not need to rely on turbulence closure assumptions. We show that previous predictions are verified, but now independent of turbulence parametrizations. Also, it appears that a regime shift to the very stable state is signaled in advance by specific changes in the dynamics of the turbulent boundary layer. Here, we show how these changes may be used to infer a quantitative estimate of the transition point from the weakly stable boundary layer to the very stable boundary layer. In addition, it is shown that the idealized, nocturnal boundary-layer system shares important similarities with generic non-linear dynamical systems that exhibit critical transitions. Therefore, the presence of other, generic early warning signals is tested as well. Indeed, indications are found that such signals are present in stably stratified turbulent flows.

Dark Coulomb binding of heavy neutrinos of fourth family

NASA Astrophysics Data System (ADS)

Belotsky, K. M.; Esipova, E. A.; Khlopov, M. Yu.; Laletin, M. N.

2015-11-01

Direct dark matter searches put severe constraints on the weakly interacting massive particles (WIMPs). These constraints cause serious troubles for the model of stable neutrino of fourth generation with mass around 50GeV. Though the calculations of primordial abundance of these particles make them in the charge symmetric case a sparse subdominant component of the modern dark matter, their presence in the universe would exceed the current upper limits by several orders of the magnitude. However, if quarks and leptons of fourth generation possess their own Coulomb-like y-interaction, recombination of pairs of heavy neutrinos and antineutrinos and their annihilation in the “neutrinium” atoms can play important role in their cosmological evolution, reducing their modern abundance far below the experimental upper limits. The model of stable fourth generation assumes that the dominant part of dark matter is explained by excessive Ū antiquarks, forming (ŪŪŪ)-- charged clusters, bound with primordial helium in nuclear-interacting O-helium (OHe) dark atoms. The y charge conservation implies generation of the same excess of fourth generation neutrinos, potentially dangerous WIMP component of this scenario. We show that due to y-interaction recombination of fourth neutrinos with OHe hides these WIMPs from direct WIMP searches, leaving the negligible fraction of free neutrinos, what makes their existence compatible with the experimental constraints.

The influence of self-assembling supramolecular structures on the passive membrane transport of ion-paired molecules.

PubMed

Benaouda, F; Brown, M B; Shah, B; Martin, G P; Jones, S A

2012-12-15

Weak ion-ion interactions, such as those associated with ion-pair formation, are difficult to isolate and characterise in the liquid state, but they have the potential to alter significantly the physicochemical behaviour of molecules in solution. The aim of this work was to gain a better understanding of how ion-ion interactions influenced passive membrane transport. The test system was composed of propylene (PG) glycol, water and diclofenac diethylamine (DDEA). Infrared spectroscopy was employed to determine the nature of the DDEA ion-pair interactions and the drug-vehicle association. Passive transport was assessed using homogeneous synthetic membranes. Solution-state analysis demonstrated that the ion-pair was unperturbed by vehicle composition changes, but the solvent-DDEA interactions were modified. DDEA-PG/water hydrogen bonding influenced the ion-pair solubility (X(dev)) and the solvent interactions slowed transport rate in PG-rich vehicles (0.84±0.05 μg cm(-2) h(-1), at ln(X(dev))=0.57). In water-rich co-solvents, the presence of strong water structuring facilitated a significant increase (p<0.05) in transmembrane penetration rate (e.g. 4.33±0.92 μg cm(-2) h(-1), at ln(X(dev))=-0.13). The data demonstrates that weak ion-ion interactions can result in the embedding of polar entities within a stable solvent complex and spontaneous supramolecular assembly should be considered when interpreting transmembrane transport processes of ionic molecules. Copyright © 2012 Elsevier B.V. All rights reserved.

More asymptotic safety guaranteed

NASA Astrophysics Data System (ADS)

Bond, Andrew D.; Litim, Daniel F.

2018-04-01

We study interacting fixed points and phase diagrams of simple and semisimple quantum field theories in four dimensions involving non-Abelian gauge fields, fermions and scalars in the Veneziano limit. Particular emphasis is put on new phenomena which arise due to the semisimple nature of the theory. Using matter field multiplicities as free parameters, we find a large variety of interacting conformal fixed points with stable vacua and crossovers inbetween. Highlights include semisimple gauge theories with exact asymptotic safety, theories with one or several interacting fixed points in the IR, theories where one of the gauge sectors is both UV free and IR free, and theories with weakly interacting fixed points in the UV and the IR limits. The phase diagrams for various simple and semisimple settings are also given. Further aspects such as perturbativity beyond the Veneziano limit, conformal windows, and implications for model building are discussed.

Examining post-translational modification-mediated protein–protein interactions using a chemical proteomics approach

PubMed Central

Li, Xiang; Foley, Emily A; Kawashima, Shigehiro A; Molloy, Kelly R; Li, Yinyin; Chait, Brian T; Kapoor, Tarun M

2013-01-01

Post-translational modifications (PTM) of proteins can control complex and dynamic cellular processes via regulating interactions between key proteins. To understand these regulatory mechanisms, it is critical that we can profile the PTM-dependent protein–protein interactions. However, identifying these interactions can be very difficult using available approaches, as PTMs can be dynamic and often mediate relatively weak protein–protein interactions. We have recently developed CLASPI (cross-linking-assisted and stable isotope labeling in cell culture-based protein identification), a chemical proteomics approach to examine protein–protein interactions mediated by methylation in human cell lysates. Here, we report three extensions of the CLASPI approach. First, we show that CLASPI can be used to analyze methylation-dependent protein–protein interactions in lysates of fission yeast, a genetically tractable model organism. For these studies, we examined trimethylated histone H3 lysine-9 (H3K9Me3)-dependent protein–protein interactions. Second, we demonstrate that CLASPI can be used to examine phosphorylation-dependent protein–protein interactions. In particular, we profile proteins recognizing phosphorylated histone H3 threonine-3 (H3T3-Phos), a mitotic histone “mark” appearing exclusively during cell division. Our approach identified survivin, the only known H3T3-Phos-binding protein, as well as other proteins, such as MCAK and KIF2A, that are likely to be involved in weak but selective interactions with this histone phosphorylation “mark”. Finally, we demonstrate that the CLASPI approach can be used to study the interplay between histone H3T3-Phos and trimethylation on the adjacent residue lysine 4 (H3K4Me3). Together, our findings indicate the CLASPI approach can be broadly applied to profile protein–protein interactions mediated by PTMs. PMID:23281010

Dark matter as a weakly coupled dark baryon

NASA Astrophysics Data System (ADS)

Mitridate, Andrea; Redi, Michele; Smirnov, Juri; Strumia, Alessandro

2017-10-01

Dark Matter might be an accidentally stable baryon of a new confining gauge interaction. We extend previous studies exploring the possibility that the DM is made of dark quarks heavier than the dark confinement scale. The resulting phenomenology contains new unusual elements: a two-stage DM cosmology (freeze-out followed by dark condensation), a large DM annihilation cross section through recombination of dark quarks (allowing to fit the positron excess). Light dark glue-balls are relatively long lived and give extra cosmological effects; DM itself can remain radioactive.

Stability and modal analysis of shock/boundary layer interactions

NASA Astrophysics Data System (ADS)

Nichols, Joseph W.; Larsson, Johan; Bernardini, Matteo; Pirozzoli, Sergio

2017-02-01

The dynamics of oblique shock wave/turbulent boundary layer interactions is analyzed by mining a large-eddy simulation (LES) database for various strengths of the incoming shock. The flow dynamics is first analyzed by means of dynamic mode decomposition (DMD), which highlights the simultaneous occurrence of two types of flow modes, namely a low-frequency type associated with breathing motion of the separation bubble, accompanied by flapping motion of the reflected shock, and a high-frequency type associated with the propagation of instability waves past the interaction zone. Global linear stability analysis performed on the mean LES flow fields yields a single unstable zero-frequency mode, plus a variety of marginally stable low-frequency modes whose stability margin decreases with the strength of the interaction. The least stable linear modes are grouped into two classes, one of which bears striking resemblance to the breathing mode recovered from DMD and another class associated with revolving motion within the separation bubble. The results of the modal and linear stability analysis support the notion that low-frequency dynamics is intrinsic to the interaction zone, but some continuous forcing from the upstream boundary layer may be required to keep the system near a limit cycle. This can be modeled as a weakly damped oscillator with forcing, as in the early empirical model by Plotkin (AIAA J 13:1036-1040, 1975).

Self-assembly of diphenylalanine with preclick components as capping groups.

PubMed

Gemma, Andrea; Mayans, Enric; Ballano, Gema; Torras, Juan; Díaz, Angélica; Jiménez, Ana I; Puiggalí, Jordi; Cativiela, Carlos; Alemán, Carlos

2017-10-11

Alkyne and azide, which are commonly used in the cycloaddition reaction recognized as "click chemistry", have been used as capping groups of two engineered diphenylalanine (FF) derivatives due to their ability to form weak intermolecular interactions (i.e. dipole-π and π-π stacking). In Poc-FF-N 3 , alkyne and azide act as N- and C-terminal capping groups, respectively, while such positions are exchanged in N 3 -FF-OPrp. The self-assembly of such two synthesized peptides has been extensively studied in their "pre-click" state, considering the influence of three different factors: the peptide concentration, the polarity of the medium, and the nature of the substrate. Poc-FF-N 3 assembles into microfibers that, depending on the medium and the substrate, can aggregate hierarchically in supramolecular structures with different morphologies. The most distinctive one corresponds to very stable birefringent dendritic-like microstructures, which are derived from the ordered agglomeration of microfibers. These branched supramolecular structures, which are observed under a variety of conditions, are relatively uncommon in short FF sequences. At the molecular level, Poc-FF-N 3 organizes in antiparallel β-sheets stabilized by N-HO intermolecular hydrogen bonds and re-enforced by weak interactions between the azide and alkyne groups of neighbouring molecules. In contrast, N 3 -FF-OPrp exhibits a very poor tendency to organize into structures with a well-defined morphology. Theoretical calculations on model complexes indicate that the tendency of the latter peptide to organize into small amorphous agglomerates is due to its poor ability to form specific intermolecular interactions in comparison with Poc-FF-N 3 . The implications of the weak interactions induced by the alkyne and azide groups, which strengthen peptidepeptide hydrogen bonds and π-ladders due to the stacked aromatic phenyl side groups, are discussed.

Conformation-dependent DNA attraction

NASA Astrophysics Data System (ADS)

Li, Weifeng; Nordenskiöld, Lars; Zhou, Ruhong; Mu, Yuguang

2014-05-01

Understanding how DNA molecules interact with other biomolecules is related to how they utilize their functions and is therefore critical for understanding their structure-function relationships. For a long time, the existence of Z-form DNA (a left-handed double helical version of DNA, instead of the common right-handed B-form) has puzzled the scientists, and the definitive biological significance of Z-DNA has not yet been clarified. In this study, the effects of DNA conformation in DNA-DNA interactions are explored by molecular dynamics simulations. Using umbrella sampling, we find that for both B- and Z-form DNA, surrounding Mg2+ ions always exert themselves to screen the Coulomb repulsion between DNA phosphates, resulting in very weak attractive force. On the contrary, a tight and stable bound state is discovered for Z-DNA in the presence of Mg2+ or Na+, benefiting from their hydrophobic nature. Based on the contact surface and a dewetting process analysis, a two-stage binding process of Z-DNA is outlined: two Z-DNA first attract each other through charge screening and Mg2+ bridges to phosphate groups in the same way as that of B-DNA, after which hydrophobic contacts of the deoxyribose groups are formed via a dewetting effect, resulting in stable attraction between two Z-DNA molecules. The highlighted hydrophobic nature of Z-DNA interaction from the current study may help to understand the biological functions of Z-DNA in gene transcription.Understanding how DNA molecules interact with other biomolecules is related to how they utilize their functions and is therefore critical for understanding their structure-function relationships. For a long time, the existence of Z-form DNA (a left-handed double helical version of DNA, instead of the common right-handed B-form) has puzzled the scientists, and the definitive biological significance of Z-DNA has not yet been clarified. In this study, the effects of DNA conformation in DNA-DNA interactions are explored by molecular dynamics simulations. Using umbrella sampling, we find that for both B- and Z-form DNA, surrounding Mg2+ ions always exert themselves to screen the Coulomb repulsion between DNA phosphates, resulting in very weak attractive force. On the contrary, a tight and stable bound state is discovered for Z-DNA in the presence of Mg2+ or Na+, benefiting from their hydrophobic nature. Based on the contact surface and a dewetting process analysis, a two-stage binding process of Z-DNA is outlined: two Z-DNA first attract each other through charge screening and Mg2+ bridges to phosphate groups in the same way as that of B-DNA, after which hydrophobic contacts of the deoxyribose groups are formed via a dewetting effect, resulting in stable attraction between two Z-DNA molecules. The highlighted hydrophobic nature of Z-DNA interaction from the current study may help to understand the biological functions of Z-DNA in gene transcription. Electronic supplementary information (ESI) available. See DOI: 10.1039/c3nr03235c

Cannibalism and Intraguild Predation Community Dynamics: Coexistence, Competitive Exclusion, and the Loss of Alternative Stable States.

PubMed

Toscano, Benjamin J; Hin, Vincent; Rudolf, Volker H W

2017-11-01

Predators often exert strong top-down regulation of prey, but in many systems, juvenile predators must compete with their future prey for a shared resource. In such life-history intraguild predation (LHIGP) systems, prey can therefore also regulate the recruitment and thus population dynamics of their predator via competition. Theory predicts that such stage-structured systems exhibit a wide range of dynamics, including alternative stable states. Here we show that cannibalism is an exceedingly common interaction within natural LHIGP systems that determines what coexistence states are possible. Using a modeling approach that simulates a range of ontogenetic diet shift scenarios along a productivity gradient, we demonstrate that only if the predator is competitively dominant can cannibalism promote coexistence by allowing prey to persist. If the prey is competitively dominant, cannibalism instead results in competitive exclusion of the predator and the loss of potential alternative stable states. Further, predator exclusion occurs at low cannibalistic preference relative to empirical estimates and is consistent across LHIGP systems in which the predator undergoes a complete diet shift or diet broadening over ontogeny. Given that prey is frequently competitively dominant in natural systems, our results demonstrate that even weak cannibalism can inhibit predator persistence, prompting exploration of mechanisms that reconcile theory with the common occurrence of such interactions in nature.

Weak-field ELF magnetic interactions: Implications for biological change during paleomagnetic reversals.

PubMed

Liboff, Abraham R

2013-12-01

Contrary to the belief that paleomagnetic reversals are not biologically significant, we find good reason to think otherwise. Attention is drawn to polarity transitions, time intervals a few thousand years long that follow the collapse of the existing geomagnetic dipole moment and precede the establishment of the new, oppositely directed moment. The geomagnetic field during transitions is reduced to a maximal mean intensity about 10% of the stable field and can exhibit low-frequency perturbations comparable to numerous laboratory-based extremely low frequency (ELF) studies reporting biological interactions, making it very likely that similar interactions must occur over the course of a polarity transition. This conclusion is strengthened by reports of medical problems that significantly correlate with intense solar winds, events that also generate ELF perturbations similar to those that can occur during polarity transitions.

Structural Evolution of a Warm Frontal Precipitation Band During GCPEx

NASA Technical Reports Server (NTRS)

Colle, Brian A.; Naeger, Aaron; Molthan, Andrew; Nesbitt, Stephen

2015-01-01

A warm frontal precipitation band developed over a few hours 50-100 km to the north of a surface warm front. The 3-km WRF was able to realistically simulate band development, although the model is somewhat too weak. Band genesis was associated with weak frontogenesis (deformation) in the presence of weak potential and conditional instability feeding into the band region, while it was closer to moist neutral within the band. As the band matured, frontogenesis increased, while the stability gradually increased in the banding region. Cloud top generating cells were prevalent, but not in WRF (too stable). The band decayed as the stability increased upstream and the frontogenesis (deformation) with the warm front weakened. The WRF may have been too weak and short-lived with the band because too stable and forcing too weak (some micro issues as well).

Nature of Interlayer Binding and Stacking of sp–sp 2 Hybridized Carbon Layers: A Quantum Monte Carlo Study

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

Shin, Hyeondeok; Kim, Jeongnim; Lee, Hoonkyung

α-graphyne is a two-dimensional sheet of sp-sp2 hybridized carbon atoms in a honeycomb lattice. While the geometrical structure is similar to that of graphene, the hybridized triple bonds give rise to electronic structure that is different from that of graphene. Similar to graphene, α-graphyne can be stacked in bilayers with two stable configurations, but the different stackings have very different electronic structures: one is predicted to have gapless parabolic bands and the other a tunable bandgap which is attractive for applications. In order to realize applications, it is crucial to understand which stacking is more stable. This is difficult tomore » model, as the stability is a result of weak interlayer van der Waals interactions which are not well captured by density functional theory (DFT). We have used quantum Monte Carlo simulations that accurately include van der Waals interactions to calculate the interlayer binding energy of bilayer graphyne and to determine its most stable stacking mode. Our results show that inter-layer bindings of sp- and sp2-bonded carbon networks are significantly underestimated in a Kohn-Sham DFT approach, even with an exchange-correlation potential corrected to include, in some approximation, van der Waals interactions. Finally, our quantum Monte Carlo calculations reveal that the interlayer binding energy difference between the two stacking modes is only 0.9(4) eV/atom. From this we conclude that the two stable stacking modes of bilayer α-graphyne are almost degenerate with each other, and both will occur with about the same probability at room temperature unless there is a synthesis path that prefers one stacking over the other.« less

Nature of Interlayer Binding and Stacking of sp–sp 2 Hybridized Carbon Layers: A Quantum Monte Carlo Study

DOE PAGES

Shin, Hyeondeok; Kim, Jeongnim; Lee, Hoonkyung; ...

2017-10-25

α-graphyne is a two-dimensional sheet of sp-sp2 hybridized carbon atoms in a honeycomb lattice. While the geometrical structure is similar to that of graphene, the hybridized triple bonds give rise to electronic structure that is different from that of graphene. Similar to graphene, α-graphyne can be stacked in bilayers with two stable configurations, but the different stackings have very different electronic structures: one is predicted to have gapless parabolic bands and the other a tunable bandgap which is attractive for applications. In order to realize applications, it is crucial to understand which stacking is more stable. This is difficult tomore » model, as the stability is a result of weak interlayer van der Waals interactions which are not well captured by density functional theory (DFT). We have used quantum Monte Carlo simulations that accurately include van der Waals interactions to calculate the interlayer binding energy of bilayer graphyne and to determine its most stable stacking mode. Our results show that inter-layer bindings of sp- and sp2-bonded carbon networks are significantly underestimated in a Kohn-Sham DFT approach, even with an exchange-correlation potential corrected to include, in some approximation, van der Waals interactions. Finally, our quantum Monte Carlo calculations reveal that the interlayer binding energy difference between the two stacking modes is only 0.9(4) eV/atom. From this we conclude that the two stable stacking modes of bilayer α-graphyne are almost degenerate with each other, and both will occur with about the same probability at room temperature unless there is a synthesis path that prefers one stacking over the other.« less

Three-dimensional vortex-bright solitons in a spin-orbit-coupled spin-1 condensate

NASA Astrophysics Data System (ADS)

Gautam, Sandeep; Adhikari, S. K.

2018-01-01

We demonstrate stable and metastable vortex-bright solitons in a three-dimensional spin-orbit-coupled three-component hyperfine spin-1 Bose-Einstein condensate (BEC) using numerical solution and variational approximation of a mean-field model. The spin-orbit coupling provides attraction to form vortex-bright solitons in both attractive and repulsive spinor BECs. The ground state of these vortex-bright solitons is axially symmetric for weak polar interaction. For a sufficiently strong ferromagnetic interaction, we observe the emergence of a fully asymmetric vortex-bright soliton as the ground state. We also numerically investigate moving solitons. The present mean-field model is not Galilean invariant, and we use a Galilean-transformed mean-field model for generating the moving solitons.

An investigation of the effect of surface impurities on the adsorption kinetics of hydrogen chemisorbed onto iron

NASA Technical Reports Server (NTRS)

Shanabarger, Mickey R.

1994-01-01

The goal of this program has been to develop an understanding of heterogeneous kinetic processes for those molecular species which produce gaseous hydrogen degradation of the mechanical properties of metallic structural materials. During the present program, the interaction of hydrogen with the surfaces of alpha-2 (Ti3Al) titanium aluminide, gamma (TiAl) titanium aluminide, and beryllium were studied. The interaction of low pressure hydrogen with gamma titanium aluminide and beryllium was found to be relatively weak. Weak in the sense that adsorption leads to a low surface concentration of dissociated hydrogen, i.e., the chemisorption process is reversible at room temperature (300 K) for gamma titanium aluminide and the sticking coefficient for chemisorption is extremely small for beryllium. Hydrogen was found to interact readily with alpha-2 titanium aluminide to form a stable surface hydride at 300 K. These results correlate well with other recent studies which show that the mechanical properties for alpha-2 titanium aluminide are readily degraded in hydrogen while gamma titanium aluminide exhibits less degradation and beryllium essentially no degradation. The interaction of oxygen with the surface of several of these materials was studied. More recently, preliminary hydrogen permeation studies were completed for three high temperature alloys, Incoloy 909, Mo-47.5Re (wt. %), and this past year, Haynes 188.

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

Deprotonated Water Dimers: The Building Blocks of Segmented Water Chains on Rutile RuO2(110)

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

Mu, Rentao; Cantu Cantu, David; Glezakou, Vassiliki Alexandra

2015-10-15

Despite the importance of RuO2 in photocatalytic water splitting and catalysis in general, the interactions of water with even its most stable (110) surface are not well-understood. In this study we employ a combination of high-resolution scanning tunneling microscopy imaging with density functional theory based ab initio molecular dynamics, and we follow the formation and binding of linear water clusters on coordinatively unsaturated ruthenium rows. We find that clusters of all sizes (dimers, trimers, tetramers, extended chains) are stabilized by donating one proton per every two water molecules to the surface bridge bonded oxygen sites, in contrast with water monomersmore » that do not show a significant propensity for dissociation. The clusters with odd number of water molecules are less stable than the clusters with even number, and are generally not observed under thermal equilibrium. For all clusters with even numbers, the dissociated dimers represent the fundamental building blocks with strong intra-dimer hydrogen bonds and only very weak inter-dimer interactions resulting in segmented water chains.« less

Casein micelles and their internal structure.

PubMed

de Kruif, Cornelis G; Huppertz, Thom; Urban, Volker S; Petukhov, Andrei V

2012-01-01

The internal structure of casein micelles was studied by calculating the small-angle neutron and X-ray scattering and static light scattering spectrum (SANS, SAXS, SLS) as a function of the scattering contrast and composition. We predicted experimental SANS, SAXS, SLS spectra self consistently using independently determined parameters for composition size, polydispersity, density and voluminosity. The internal structure of the casein micelles, i.e. how the various components are distributed within the casein micelle, was modeled according to three different models advocated in the literature; i.e. the classical sub-micelle model, the nanocluster model and the dual binding model. In this paper we present the essential features of these models and combine new and old experimental SANS, SAXS, SLS and DLS scattering data with new calculations that predict the spectra. Further evidence on micellar substructure was obtained by internally cross linking the casein micelles using transglutaminase, which led to casein nanogel particles. In contrast to native casein micelles, the nanogel particles were stable in 6M urea and after sequestering the calcium using trisodium citrate. The changed scattering properties were again predicted self consistently. An important result is that the radius of gyration is independent of contrast, indicating that the mass distribution within a casein micelle is homogeneous. Experimental contrast is predicted quite well leading to a match point at a D(2)O volume fraction of 0.41 ratio in SANS. Using SANS and SAXS model calculations it is concluded that only the nanocluster model is capable of accounting for the experimental scattering contrast variation data. All features and trends are predicted self consistently, among which the 'famous' shoulder at a wave vector value Q=0.35 nm(-1) In the nanocluster model, the casein micelle is considered as a (homogeneous) matrix of caseins in which the colloidal calcium phosphate (CCP) nanoclusters are dispersed as very small (about 2 nm) "cherry stones" at an average distance of 18.6 nm. Attached to the surface of the nanoclusters are the centers of phosphorylation (3-5 nearby phosphorylated amino acid residues) of the caseins. The tails of the caseins, much larger than the CCP clusters, then associate to form a protein matrix, which can be viewed as polymer mesh with density fluctuations at the 2 nm scale. The association of the tails is driven by a collection of weak interactions. We explicitly use weak interactions as a collective term for hydrophobic interactions, hydrogen bonding, ion bonding, weak electrostatic Van der Waals attraction and other factors (but not the strong calcium phosphate interaction) leading to self association. The association is highly cooperative and originates in the weak interactions. It is the cooperativety that leads to a stable casein micelle. Invariably, κ-casein is thought to limit the process of self association leading to stabilization of the native casein micelle. Copyright © 2012 Elsevier B.V. All rights reserved.

Casein micelles and their internal structure

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

De Kruif, Cornelis G; Huppertz, Thom; Urban, Volker S

2012-01-01

The internal structure of casein micelles was studied by calculating the small-angle neutron and X-ray scattering and static light scattering spectrum (SANS, SAXS, SLS) as a function of the scattering contrast and composition. We predicted experimental SANS, SAXS, SLS spectra self consistently using independently determined parameters for composition size, polydispersity, density and voluminosity. The internal structure of the casein micelles, i.e. how the various components are distributed within the casein micelle, was modeled according to three different models advocated in the literature; i.e. the classical sub-micelle model, the nanocluster model and the dual binding model. In this paper we presentmore » the essential features of these models and combine new and old experimental SANS, SAXS, SLS and DLS scattering data with new calculations that predict the spectra. Further evidence on micellar substructure was obtained by internally cross linking the casein micelles using transglutaminase, which led to casein nanogel particles. In contrast to native casein micelles, the nanogel particles were stable in 6 M urea and after sequestering the calcium using trisodium citrate. The changed scattering properties were again predicted self consistently. An important result is that the radius of gyration is independent of contrast, indicating that the mass distribution within a casein micelle is homogeneous. Experimental contrast is predicted quite well leading to a match point at a D{sub 2}O volume fraction of 0.41 ratio in SANS. Using SANS and SAXS model calculations it is concluded that only the nanocluster model is capable of accounting for the experimental scattering contrast variation data. All features and trends are predicted self consistently, among which the 'famous' shoulder at a wave vector value Q = 0.35 nm{sup -1}. In the nanocluster model, the casein micelle is considered as a (homogeneous) matrix of caseins in which the colloidal calcium phosphate (CCP) nanoclusters are dispersed as very small (about 2 nm) 'cherry stones' at an average distance of 18.6 nm. Attached to the surface of the nanoclusters are the centers of phosphorylation (3-5 nearby phosphorylated amino acid residues) of the caseins. The tails of the caseins, much larger than the CCP clusters, then associate to form a protein matrix, which can be viewed as polymer mesh with density fluctuations at the 2 nm scale. The association of the tails is driven by a collection of weak interactions. We explicitly use weak interactions as a collective term for hydrophobic interactions, hydrogen bonding, ion bonding, weak electrostatic Van der Waals attraction and other factors (but not the strong calcium phosphate interaction) leading to self association. The association is highly cooperative and originates in the weak interactions. It is the cooperativety that leads to a stable casein micelle. Invariably, K-casein is thought to limit the process of self association leading to stabilization of the native casein micelle.« less

Cryosolution infrared study of hydrogen bonded halothane acetylene complex

NASA Astrophysics Data System (ADS)

Melikova, S. M.; Rutkowski, K. S.; Rospenk, M.

2018-05-01

The interactions between halothane (2-bromo-2-chloro-1,1,1-trifluoroethane) and acetylene (C2H2) are studied by FTIR spectroscopy. Results obtained in liquid cryosolutions in Kr suggest weak complex formation stabilized by H - bond. The complexation enthalpy (∼11 kJ/mol) is evaluated in a series of temperature measurements (T ∼ 120-160 K) of integrated intensity of selected bands performed in liquefied Kr. The quantum chemical MP2/6-311++G(2d,2p) calculations predict four different structures of the complex. The most stable and populated (94% at T∼120 K) structure corresponds to the H - bond between H atom of halothane and pi-electron of triple bond between C atoms of acetylene. Wave numbers of vibrational bands of the most stable structure are calculated in anharmonic approximation implemented in Gaussian program.

Quantifying stickiness: thermodynamic characterization of intramolecular domain interactions to guide the design of förster resonance energy transfer sensors.

PubMed

Lindenburg, Laurens H; Malisauskas, Mantas; Sips, Tari; van Oppen, Lisanne; Wijnands, Sjors P W; van de Graaf, Stan F J; Merkx, Maarten

2014-10-14

The introduction of weak, hydrophobic interactions between fluorescent protein domains (FPs) can substantially increase the dynamic range (DR) of Förster resonance energy transfer (FRET)-based sensor systems. Here we report a comprehensive thermodynamic characterization of the stability of a range of self-associating FRET pairs. A new method is introduced that allows direct quantification of the stability of weak FP interactions by monitoring intramolecular complex formation as a function of urea concentration. The commonly used S208F mutation stabilized intramolecular FP complex formation by 2.0 kCal/mol when studied in an enhanced cyan FP (ECFP)-linker-enhanced yellow FP (EYFP) fusion protein, whereas a significantly weaker interaction was observed for the homologous Cerulean/Citrine FRET pair (ΔG0(o-c) = 0.62 kCal/mol). The latter effect could be attributed to two mutations in Cerulean (Y145A and H148D) that destabilize complex formation with Citrine. Systematic analysis of the contribution of residues 125 and 127 at the dimerization interface in mOrange.linker.mCherry fusion proteins yielded a toolbox of new mOrange-mCherry combinations that allowed tuning of their intramolecular interaction from very weak (ΔG0(o-c) = .0.39 kCal/mol) to relatively stable (ΔG0(o-c) = 2.2 kCal/mol). The effects of these mutations were also studied by monitoring homodimerization of mCherry variants using fluorescence anisotropy. These mutations affected intramolecular and intermolecular domain interactions similarly, although FP interactions were found to be stronger in the latter. The knowledge thus obtained allowed successful construction of a red-shifted variant of the bile acid FRET sensor BAS-1 by replacement of the self-associating Cerulean-Citrine pair by mOrange.mCherry variants with a similar intramolecular affinity. Our findings thus allow a better understanding of the subtle but important role of intramolecular domain interactions in current FRET sensors and help guide the construction of new sensors using modular design strategies.

Alternative steady states in ecological networks

NASA Astrophysics Data System (ADS)

Fried, Yael; Shnerb, Nadav M.; Kessler, David A.

2017-07-01

In many natural situations, one observes a local system with many competing species that is coupled by weak immigration to a regional species pool. The dynamics of such a system is dominated by its stable and uninvadable (SU) states. When the competition matrix is random, the number of SUs depends on the average value and variance of its entries. Here we consider the problem in the limit of weak competition and large variance. Using a yes-no interaction model, we show that the number of SUs corresponds to the number of maximum cliques in an Erdös-Rényi network. The number of SUs grows exponentially with the number of species in this limit, unless the network is completely asymmetric. In the asymmetric limit, the number of SUs is O (1 ) . Numerical simulations suggest that these results are valid for models with a continuous distribution of competition terms.

Weak crystallization theory of metallic alloys

DOE PAGES

Martin, Ivar; Gopalakrishnan, Sarang; Demler, Eugene A.

2016-06-20

Crystallization is one of the most familiar, but hardest to analyze, phase transitions. The principal reason is that crystallization typically occurs via a strongly first-order phase transition, and thus rigorous treatment would require comparing energies of an infinite number of possible crystalline states with the energy of liquid. A great simplification occurs when crystallization transition happens to be weakly first order. In this case, weak crystallization theory, based on unbiased Ginzburg-Landau expansion, can be applied. Even beyond its strict range of validity, it has been a useful qualitative tool for understanding crystallization. In its standard form, however, weak crystallization theorymore » cannot explain the existence of a majority of observed crystalline and quasicrystalline states. Here we extend the weak crystallization theory to the case of metallic alloys. In this paper, we identify a singular effect of itinerant electrons on the form of weak crystallization free energy. It is geometric in nature, generating strong dependence of free energy on the angles between ordering wave vectors of ionic density. That leads to stabilization of fcc, rhombohedral, and icosahedral quasicrystalline (iQC) phases, which are absent in the generic theory with only local interactions. Finally, as an application, we find the condition for stability of iQC that is consistent with the Hume-Rothery rules known empirically for the majority of stable iQC; namely, the length of the primary Bragg-peak wave vector is approximately equal to the diameter of the Fermi sphere.« less

Aromatic residues engineered into the beta-turn nucleation site of ubiquitin lead to a complex folding landscape, non-native side-chain interactions, and kinetic traps.

PubMed

Rea, Anita M; Simpson, Emma R; Meldrum, Jill K; Williams, Huw E L; Searle, Mark S

2008-12-02

The fast folding of small proteins is likely to be the product of evolutionary pressures that balance the search for native-like contacts in the transition state with the minimum number of stable non-native interactions that could lead to partially folded states prone to aggregation and amyloid formation. We have investigated the effects of non-native interactions on the folding landscape of yeast ubiquitin by introducing aromatic substitutions into the beta-turn region of the N-terminal beta-hairpin, using both the native G-bulged type I turn sequence (TXTGK) as well as an engineered 2:2 XNGK type I' turn sequence. The N-terminal beta-hairpin is a recognized folding nucleation site in ubiquitin. The folding kinetics for wt-Ub (TLTGK) and the type I' turn mutant (TNGK) reveal only a weakly populated intermediate, however, substitution with X = Phe or Trp in either context results in a high propensity to form a stable compact intermediate where the initial U-->I collapse is visible as a distinct kinetic phase. The introduction of Trp into either of the two host turn sequences results in either complex multiphase kinetics with the possibility of parallel folding pathways, or formation of a highly compact I-state stabilized by non-native interactions that must unfold before refolding. Sequence substitutions with aromatic residues within a localized beta-turn capable of forming non-native hydrophobic contacts in both the native state and partially folded states has the undesirable consequence that folding is frustrated by the formation of stable compact intermediates that evolutionary pressures at the sequence level may have largely eliminated.

Phase behaviour and structure of stable complexes of oppositely charged polyelectrolytes

NASA Astrophysics Data System (ADS)

Mengarelli, V.; Auvray, L.; Zeghal, M.

2009-03-01

We study the formation and structure of stable electrostatic complexes between oppositely charged polyelectrolytes, a long polymethacrylic acid and a shorter polyethylenimine, at low pH, where the polyacid is weakly charged. We explore the phase diagram as a function of the charge and concentration ratio of the constituents. In agreement with theory, turbidity and ζ potential measurements show two distinct regimes of weak and strong complexation, which appear successively as the pH is increased and are separated by a well-defined limit. Weak complexes observed by neutron scattering and contrast matching have an open, non-compact structure, while strong complexes are condensed.

Metallic phases from disordered (2+1)-dimensional quantum electrodynamics

DOE PAGES

Goswami, Pallab; Goldman, Hart; Raghu, S.

2017-06-15

Metallic phases have been observed in several disordered two-dimensional (2D) systems, including thin films near superconductor-insulator transitions and quantum Hall systems near plateau transitions. The existence of 2D metallic phases at zero temperature generally requires an interplay of disorder and interaction effects. Consequently, experimental observations of 2D metallic behavior have largely defied explanation. We formulate a general stability criterion for strongly interacting, massless Dirac fermions against disorder, which describe metallic ground states with vanishing density of states. We show that (2+1)-dimensional quantum electrodynamics (QED 3) with a large, even number of fermion flavors remains metallic in the presence of weakmore » scalar potential disorder due to the dynamic screening of disorder by gauge fluctuations. In conclusion, we also show that QED 3 with weak mass disorder exhibits a stable, dirty metallic phase in which both interactions and disorder play important roles.« less

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

Goswami, Pallab; Goldman, Hart; Raghu, S.

Metallic phases have been observed in several disordered two-dimensional (2D) systems, including thin films near superconductor-insulator transitions and quantum Hall systems near plateau transitions. The existence of 2D metallic phases at zero temperature generally requires an interplay of disorder and interaction effects. Consequently, experimental observations of 2D metallic behavior have largely defied explanation. We formulate a general stability criterion for strongly interacting, massless Dirac fermions against disorder, which describe metallic ground states with vanishing density of states. We show that (2+1)-dimensional quantum electrodynamics (QED 3) with a large, even number of fermion flavors remains metallic in the presence of weakmore » scalar potential disorder due to the dynamic screening of disorder by gauge fluctuations. In conclusion, we also show that QED 3 with weak mass disorder exhibits a stable, dirty metallic phase in which both interactions and disorder play important roles.« less

The Extracellular δ-Domain is Essential for the Formation of CD81 Tetraspanin Webs

PubMed Central

Homsi, Yahya; Schloetel, Jan-Gero; Scheffer, Konstanze D.; Schmidt, Thomas H.; Destainville, Nicolas; Florin, Luise; Lang, Thorsten

2014-01-01

CD81 is a ubiquitously expressed member of the tetraspanin family. It forms large molecular platforms, so-called tetraspanin webs that play physiological roles in a variety of cellular functions and are involved in viral and parasite infections. We have investigated which part of the CD81 molecule is required for the formation of domains in the cell membranes of T-cells and hepatocytes. Surprisingly, we find that large CD81 platforms assemble via the short extracellular δ-domain, independent from a strong primary partner binding and from weak interactions mediated by palmitoylation. The δ-domain is also essential for the platforms to function during viral entry. We propose that, instead of stable binary interactions, CD81 interactions via the small δ-domain, possibly involving a dimerization step, play the key role in organizing CD81 into large tetraspanin webs and controlling its function. PMID:24988345

How water interacts with halogenated anesthetics: the rotational spectrum of isoflurane-water.

PubMed

Gou, Qian; Feng, Gang; Evangelisti, Luca; Vallejo-López, Montserrat; Spada, Lorenzo; Lesarri, Alberto; Cocinero, Emilio J; Caminati, Walther

2014-02-10

The rotational spectra of several isotopologues of the 1:1 complex between the inhaled anesthetic isoflurane and water have been recorded and analyzed by using Fourier transform microwave spectroscopy. The rotational spectrum showed a single rotamer, corresponding to the configuration in which the most stable conformer of isolated isoflurane is linked to the water molecule through an almost linear C-H⋅⋅⋅O weak hydrogen bond. All transitions display a hyperfine structure due to the (35)Cl (or (37)Cl) nuclear quadrupole effects. Copyright © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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.

Reinforcement of single-walled carbon nanotube bundles by intertube bridging

NASA Astrophysics Data System (ADS)

Kis, A.; Csányi, G.; Salvetat, J.-P.; Lee, Thien-Nga; Couteau, E.; Kulik, A. J.; Benoit, W.; Brugger, J.; Forró, L.

2004-03-01

During their production, single-walled carbon nanotubes form bundles. Owing to the weak van der Waals interaction that holds them together in the bundle, the tubes can easily slide on each other, resulting in a shear modulus comparable to that of graphite. This low shear modulus is also a major obstacle in the fabrication of macroscopic fibres composed of carbon nanotubes. Here, we have introduced stable links between neighbouring carbon nanotubes within bundles, using moderate electron-beam irradiation inside a transmission electron microscope. Concurrent measurements of the mechanical properties using an atomic force microscope show a 30-fold increase of the bending modulus, due to the formation of stable crosslinks that effectively eliminate sliding between the nanotubes. Crosslinks were modelled using first-principles calculations, showing that interstitial carbon atoms formed during irradiation in addition to carboxyl groups, can independently lead to bridge formation between neighbouring nanotubes.

'Tertiary' nuclear burning - Neutron star deflagration?

NASA Technical Reports Server (NTRS)

Michel, F. Curtis

1988-01-01

A motivation is presented for the idea that dense nuclear matter can burn to a new class of stable particles. One of several possibilities is an 'octet' particle which is the 16 baryon extension of alpha particle, but now composed of a pair of each of the two nucleons, (3Sigma, Delta, and 2Xi). Such 'tertiary' nuclear burning (here 'primary' is H-He and 'secondary' is He-Fe) may lead to neutron star explosions rather than collapse to a black hole, analogous to some Type I supernovae models wherein accreting white dwarfs are pushed over the Chandrasekhar mass limit but explode rather than collapse to form neutron stars. Such explosions could possibly give gamma-ray bursts and power quasars, with efficient particle acceleration in the resultant relativistic shocks. The new stable particles themselves could possibly be the sought-after weakly interacting, massive particles (WIMPs) or 'dark' matter.

Modulational instability and higher-order rogue waves with parameters modulation in a coupled integrable AB system via the generalized Darboux transformation.

PubMed

Wen, Xiao-Yong; Yan, Zhenya

2015-12-01

We study higher-order rogue wave (RW) solutions of the coupled integrable dispersive AB system (also called Pedlosky system), which describes the evolution of wave-packets in a marginally stable or unstable baroclinic shear flow in geophysical fluids. We propose its continuous-wave (CW) solutions and existent conditions for their modulation instability to form the rogue waves. A new generalized N-fold Darboux transformation (DT) is proposed in terms of the Taylor series expansion for the spectral parameter in the Darboux matrix and its limit procedure and applied to the CW solutions to generate multi-rogue wave solutions of the coupled AB system, which satisfy the general compatibility condition. The dynamical behaviors of these higher-order rogue wave solutions demonstrate both strong and weak interactions by modulating parameters, in which some weak interactions can generate the abundant triangle, pentagon structures, etc. Particularly, the trajectories of motion of peaks and depressions of profiles of the first-order RWs are explicitly analyzed. The generalized DT method used in this paper can be extended to other nonlinear integrable systems. These results may be useful for understanding the corresponding rogue-wave phenomena in fluid mechanics and related fields.

Unexpected Competition between Antiferromagnetic and Ferromagnetic States in Hf2MnRu5B2: Predicted and Realized.

PubMed

Shankhari, Pritam; Zhang, Yuemei; Stekovic, Dejan; Itkis, Mikhail E; Fokwa, Boniface P T

2017-11-06

Materials "design" is increasingly gaining importance in the solid-state materials community in general and in the field of magnetic materials in particular. Density functional theory (DFT) predicted the competition between ferromagnetic (FM) and antiferromagnetic (AFM) ground states in a ruthenium-rich Ti 3 Co 5 B 2 -type boride (Hf 2 MnRu 5 B 2 ) for the first time. Vienna ab initio simulation package (VASP) total energy calculations indicated that the FM model was marginally more stable than one of the AFM models (AFM1), indicating very weak interactions between magnetic 1D Mn chains that can be easily perturbated by external means (magnetic field or composition). The predicted phase was then synthesized by arc-melting and characterized as Hf 2 Mn 1-x Ru 5+x B 2 (x = 0.27). Vibrating-scanning magnetometry shows an AFM ground state with T N ≈ 20 K under low magnetic field (0.005 T). At moderate-to-higher fields, AFM ordering vanishes while FM ordering emerges with a Curie temperature of 115 K. These experimental outcomes confirm the weak nature of the interchain interactions, as predicted by DFT calculations.

Computational phase diagrams of noble gas hydrates under pressure

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

Teeratchanan, Pattanasak, E-mail: s1270872@sms.ed.ac.uk; Hermann, Andreas, E-mail: a.hermann@ed.ac.uk

2015-10-21

We present results from a first-principles study on the stability of noble gas-water compounds in the pressure range 0-100 kbar. Filled-ice structures based on the host water networks ice-I{sub h}, ice-I{sub c}, ice-II, and C{sub 0} interacting with guest species He, Ne, and Ar are investigated, using density functional theory (DFT) with four different exchange-correlation functionals that include dispersion effects to various degrees: the non-local density-based optPBE-van der Waals (vdW) and rPW86-vdW2 functionals, the semi-empirical D2 atom pair correction, and the semi-local PBE functional. In the He-water system, the sequence of stable phases closely matches that seen in the hydrogenmore » hydrates, a guest species of comparable size. In the Ne-water system, we predict a novel hydrate structure based on the C{sub 0} water network to be stable or at least competitive at relatively low pressure. In the Ar-water system, as expected, no filled-ice phases are stable; however, a partially occupied Ar-C{sub 0} hydrate structure is metastable with respect to the constituents. The ability of the different DFT functionals to describe the weak host-guest interactions is analysed and compared to coupled cluster results on gas phase systems.« less

A theoretical probe on the non-covalent interactions of sulfadoxine drug with pi-acceptors

NASA Astrophysics Data System (ADS)

Sandhiya, L.; Senthilkumar, K.

2014-09-01

A detailed analysis of the interaction between an antimalarial drug sulfadoxine and four pi-acceptors, tetrachloro-catechol, picric acid, chloranil, and 2,3-dichloro-5,6-dicyano-1,4-benzoquinone is presented in this study. The interaction of the amine, amide, methoxy, Csbnd H groups and π electron density of the drug molecule with the acceptors are studied using DFT method at M06-2X level of theory with 6-31G(d,p) basis set. The interaction energy of the complexes is calculated using M06-2X, M06-HF, B3LYP-D and MP2 methods with 6-31G(d,p) basis set. The role of weak interactions on the formation and stability of the complexes is discussed in detail. The two aromatic platforms of sulfadoxine play a major role in determining the stability of the complexes. The electron density difference maps have been plotted for the most stable drug interacting complexes to understand the changes in electron density delocalization upon the complex formation. The nature of the non-covalent interaction has been addressed from NCI plot. The infrared spectra calculated at M06-2X/6-31G(d,p) level of theory is used to characterize the most stable complexes. The SDOX-pi acceptor complexation leads to characteristic changes in the NMR spectra. The 13C, 1H, 17O and 15N NMR chemical shifts have been calculated using GIAO method at M06-2X/6-311+G(d,p)//M06-2X/6-31G(d,p) level of theory. The results obtained from this study confirm the role of non-covalent interactions on the function of the sulfadoxine drug.

Omega-Omega interaction on the Lattice

NASA Astrophysics Data System (ADS)

Yamada, Masanori; Halqcd Collaboration

2014-09-01

We report our results of central potential between two Omega baryons from 2+1 flavor full Lattice QCD simulation. In the past studies, there is a possibility that some decouplet baryons have a bound state. However, almost all decuplet baryons are unstable due to decays via the strong interaction. An exception is the Omega decuplte baryon, which is stable against the strong decays, so its interaction is suitable to be investigated. It is, however, still difficult to investigate the Omega-Omega interaction experimentally due to its short-life time via weak decays. Therefore, the lattice QCD study for the Omega-Omega interaction is necessary and important. We present results obtained by the extension of the HAL QCD method to the system of two decuplet baryons. Our numerical results are obtained from 2+1 flavor full QCD gauge configurations at L ~ 2 . 9 fm mπ ~ 701 MeV and mΩ ~ 1966 MeV, generated by the PACS-CS Collaboration. We find that the Omega-Omega interaction is strong attractive, but it's not strong enough to make a bound state at out simulation set up.

Investigation of the adsorption of polymer chains on amine-functionalized double-walled carbon nanotubes.

PubMed

Ansari, R; Ajori, S; Rouhi, S

2015-12-01

Molecular dynamics (MD) simulations were used to study the adsorption of different polymer chains on functionalized double-walled carbon nanotubes (DWCNTs). The nanotubes were functionalized with two different amines: NH2 (a small amine) and CH2-NH2 (a large amine). Considering three different polymer chains, all with the same number of atoms, the effect of polymer type on the polymer-nanotube interaction was studied. In general, it was found that covalent functionalization considerably improved the polymer-DWCNT interaction. By comparing the results obtained with different polymer chains, it was observed that, unlike polyethylene and polyketone, poly(styrene sulfonate) only weakly interacts with the functionalized DWCNTs. Accordingly, the smallest radius of gyration was obtained with adsorbed poly(styrene sulfonate). It was also observed that the DWCNTs functionalized with the large amine presented more stable interactions with polyketone and poly(styrene sulfonate) than with polyethylene, whereas the DWCNTs functionalized with the small amine showed better interfacial noncovalent bonding with polyethylene.

Localized end states in density modulated quantum wires and rings.

PubMed

Gangadharaiah, Suhas; Trifunovic, Luka; Loss, Daniel

2012-03-30

We study finite quantum wires and rings in the presence of a charge-density wave gap induced by a periodic modulation of the chemical potential. We show that the Tamm-Shockley bound states emerging at the ends of the wire are stable against weak disorder and interactions, for discrete open chains and for continuum systems. The low-energy physics can be mapped onto the Jackiw-Rebbi equations describing massive Dirac fermions and bound end states. We treat interactions via the continuum model and show that they increase the charge gap and further localize the end states. The electrons placed in the two localized states on the opposite ends of the wire can interact via exchange interactions and this setup can be used as a double quantum dot hosting spin qubits. The existence of these states could be experimentally detected through the presence of an unusual 4π Aharonov-Bohm periodicity in the spectrum and persistent current as a function of the external flux.

Infrared consistency and the weak gravity conjecture

DOE PAGES

Cheung, Clifford; Remmen, Grant N.

2014-12-11

The weak gravity conjecture (WGC) asserts that an Abelian gauge theory coupled to gravity is inconsistent unless it contains a particle of charge q and mass m such that q ≥ m/m Pl. This criterion is obeyed by all known ultraviolet completions and is needed to evade pathologies from stable black hole remnants. In this paper, we explore the WGC from the perspective of low-energy effective field theory. Below the charged particle threshold, the effective action describes a photon and graviton interacting via higher-dimension operators. We derive infrared consistency conditions on the parameters of the effective action using i )more » analyticity of light-by-light scattering, ii ) unitarity of the dynamics of an arbitrary ultraviolet completion, and iii ) absence of superluminality and causality violation in certain non-trivial backgrounds. For convenience, we begin our analysis in three spacetime dimensions, where gravity is non-dynamical but has a physical effect on photon-photon interactions. We then consider four dimensions, where propagating gravity substantially complicates all of our arguments, but bounds can still be derived. Operators in the effective action arise from two types of diagrams: those that involve electromagnetic interactions (parameterized by a charge-to-mass ratio q/m) and those that do not (parameterized by a coefficient γ). In conclusion, infrared consistency implies that q/m is bounded from below for small γ.« less

Interactions between the default network and dorsal attention network vary across default subsystems, time, and cognitive states.

PubMed

Dixon, Matthew L; Andrews-Hanna, Jessica R; Spreng, R Nathan; Irving, Zachary C; Mills, Caitlin; Girn, Manesh; Christoff, Kalina

2017-02-15

Anticorrelation between the default network (DN) and dorsal attention network (DAN) is thought to be an intrinsic aspect of functional brain organization reflecting competing functions. However, the effect size of functional connectivity (FC) between the DN and DAN has yet to be established. Furthermore, the stability of anticorrelations across distinct DN subsystems, different contexts, and time, remains unexplored. In study 1 we summarize effect sizes of DN-DAN FC from 20 studies, and in study 2 we probe the variability of DN-DAN interactions across six different cognitive states in a new data set. We show that: (i) the DN and DAN have an independent rather than anticorrelated relationship when global signal regression is not used (median effect size across studies: r=-.06; 95% CI: -.15 to .08); (ii) the DAN exhibits weak negative FC with the DN Core subsystem but is uncorrelated with the dorsomedial prefrontal and medial temporal lobe subsystems; (iii) DN-DAN interactions vary significantly across different cognitive states; (iv) DN-DAN FC fluctuates across time between periods of anticorrelation and periods of positive correlation; and (v) changes across time in the strength of DN-DAN coupling are coordinated with interactions involving the frontoparietal control network (FPCN). Overall, the observed weak effect sizes related to DN-DAN anticorrelation suggest the need to re-conceptualize the nature of interactions between these networks. Furthermore, our findings demonstrate that DN-DAN interactions are not stable, but rather, exhibit substantial variability across time and context, and are coordinated with broader network dynamics involving the FPCN. Copyright © 2017 The Authors. Published by Elsevier Inc. All rights reserved.

Cooperative peer-to-peer multiagent-based systems

NASA Astrophysics Data System (ADS)

Caram, L. F.; Caiafa, C. F.; Ausloos, M.; Proto, A. N.

2015-08-01

A multiagent based model for a system of cooperative agents aiming at growth is proposed. This is based on a set of generalized Verhulst-Lotka-Volterra differential equations. In this study, strong cooperation is allowed among agents having similar sizes, and weak cooperation if agents have markedly different "sizes", thus establishing a peer-to-peer modulated interaction scheme. A rigorous analysis of the stable configurations is presented first examining the fixed points of the system, next determining their stability as a function of the model parameters. It is found that the agents are self-organizing into clusters. Furthermore, it is demonstrated that, depending on parameter values, multiple stable configurations can coexist. It occurs that only one of them always emerges with probability close to one, because its associated attractor dominates over the rest. This is shown through numerical integrations and simulations, after analytic developments. In contrast to the competitive case, agents are able to increase their capacity beyond the no-interaction case limit. In other words, when some collaborative partnership among a relatively small number of partners takes place, all agents act in good faith prioritizing the common good, when receiving a mutual benefit allowing them to surpass their capacity.

Cooperative peer-to-peer multiagent-based systems.

PubMed

Caram, L F; Caiafa, C F; Ausloos, M; Proto, A N

2015-08-01

A multiagent based model for a system of cooperative agents aiming at growth is proposed. This is based on a set of generalized Verhulst-Lotka-Volterra differential equations. In this study, strong cooperation is allowed among agents having similar sizes, and weak cooperation if agents have markedly different "sizes", thus establishing a peer-to-peer modulated interaction scheme. A rigorous analysis of the stable configurations is presented first examining the fixed points of the system, next determining their stability as a function of the model parameters. It is found that the agents are self-organizing into clusters. Furthermore, it is demonstrated that, depending on parameter values, multiple stable configurations can coexist. It occurs that only one of them always emerges with probability close to one, because its associated attractor dominates over the rest. This is shown through numerical integrations and simulations, after analytic developments. In contrast to the competitive case, agents are able to increase their capacity beyond the no-interaction case limit. In other words, when some collaborative partnership among a relatively small number of partners takes place, all agents act in good faith prioritizing the common good, when receiving a mutual benefit allowing them to surpass their capacity.

Characteristics of the turbulence in the stable boundary layer over complex terrain of the Loess Plateau, China

NASA Astrophysics Data System (ADS)

Liang, J.; Zhang, L.; Yuan, G.

2017-12-01

Accurate determination of surface turbulent fluxes in a stable boundary layer is of great practical importance in weather prediction and climate simulations, as well as applications related to air pollution. To gain an insight into the characteristics of turbulence in a stable boundary layer over the complex terrain of the Loess Plateau, we analyzed the data from the Semi-Arid Climate and Environment Observatory of Lanzhou University (SACOL). We proposed a method to identify and efficiently isolate nonstationary motions from turbulence series, and examined the characteristics of nonstationary motions (nonstationary motions refer to gusty events on a greater scale than local shear-generated turbulence). The occurrence frequency of nonstationary motions was found to depend on the mean flow, being more frequent in weak wind conditions and vanishing when the wind speed, U, was greater than 3.0 m s-1. When U exceeded the threshold value of 1.0 m s-1 for the gradient Richardson number Ri ≤ 0.3 and 1.5 m s-1 for Ri > 0.3, local shear-generated turbulence depended systematically on U with an average rate of 0.05 U. However, for the weak wind condition, neither the mean wind speed nor the stability was an important factor for local turbulence. Under the weak wind stable condition, affected by topography-induced nonstationary motions, the local turbulence was anisotropic with a strong horizontal fluctuation and a weak vertical fluctuation, resulting in weakened heat mixing in the vertical direction and stronger un-closure of energy. These findings accessed the validity of similarity theory in the stable boundary layer over complex terrain, and revealed one reason for the stronger un-closure of energy in the night.

Local Characteristics of the Nocturnal Boundary Layer in Response to External Pressure Forcing

NASA Astrophysics Data System (ADS)

van der Linden, Steven; Baas, Peter; van Hooft, Antoon; van Hooijdonk, Ivo; Bosveld, Fred; van de Wiel, Bas

2017-04-01

Geostrophic wind speed data, derived from pressure observations, are used in combination with tower measurements to investigate the nocturnal stable boundary layer at Cabauw, The Netherlands. Since the geostrophic wind speed is not directly influenced by local nocturnal stability, it may be regarded as an external forcing parameter of the nocturnal stable boundary layer. This is in contrast to local parameters such as in situ wind speed, the Monin-Obukhov stability parameter (z/L) or the local Richardson number. To characterize the stable boundary layer, ensemble averages of clear-sky nights with similar geostrophic wind speed are formed. In this manner, the mean dynamical behavior of near-surface turbulent characteristics, and composite profiles of wind and temperature is systematically investigated. We find that the classification results in a gradual ordering of the diagnosed variables in terms of the geostrophic wind speed. In an ensemble sense the transition from the weakly stable to very stable boundary layer is more gradual than expected. Interestingly, for very weak geostrophic winds turbulent activity is found to be negligibly small while the resulting boundary cooling stays finite. Realistic numerical simulations for those cases should therefore have a a solid description of other thermodynamic processes such as soil heat conduction and radiative transfer. This prerequisite poses a challenge for Large-Eddy Simulations of weak wind nocturnal boundary layers.

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.

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.

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

Cr(3+) Binding to DNA Backbone Phosphate and Bases: Slow Ligand Exchange Rates and Metal Hydrolysis.

PubMed

Zhou, Wenhu; Yu, Tianmeng; Vazin, Mahsa; Ding, Jinsong; Liu, Juewen

2016-08-15

The interaction between chromium ions and DNA is of great interest in inorganic chemistry, toxicology, and analytical chemistry. Most previous studies focused on in situ reduction of Cr(VI), producing Cr(3+) for DNA binding. Recently, Cr(3+) was reported to activate the Ce13d DNAzyme for RNA cleavage. Herein, the Ce13d is used to study two types of Cr(3+) and DNA interactions. First, Cr(3+) binds to the DNA phosphate backbone weakly through reversible electrostatic interactions, which is weakened by adding competing inorganic phosphate. However, Cr(3+) coordinates with DNA nucleobases forming stable cross-links that can survive denaturing gel electrophoresis condition. The binding of Cr(3+) to different nucleobases was further studied in terms of binding kinetics and affinity by exploiting carboxyfluorescein-labeled DNA homopolymers. Once binding takes place, the stable Cr(3+)/DNA complex cannot be dissociated by EDTA, attributable to the ultraslow ligand exchange rate of Cr(3+). The binding rate follows the order of G > C > T ≈ A. Finally, Cr(3+) gradually loses its DNA binding ability after being stored at neutral or high pH, attributable to hydrolysis. This hydrolysis can be reversed by lowering the pH. This work provides a deeper insight into the bioinorganic chemistry of Cr(3+) coordination with DNA, clarifies some inconsistency in the previous literature, and offers practically useful information for generating reproducible results.

Conformation-dependent DNA attraction.

PubMed

Li, Weifeng; Nordenskiöld, Lars; Zhou, Ruhong; Mu, Yuguang

2014-06-21

Understanding how DNA molecules interact with other biomolecules is related to how they utilize their functions and is therefore critical for understanding their structure-function relationships. For a long time, the existence of Z-form DNA (a left-handed double helical version of DNA, instead of the common right-handed B-form) has puzzled the scientists, and the definitive biological significance of Z-DNA has not yet been clarified. In this study, the effects of DNA conformation in DNA-DNA interactions are explored by molecular dynamics simulations. Using umbrella sampling, we find that for both B- and Z-form DNA, surrounding Mg(2+) ions always exert themselves to screen the Coulomb repulsion between DNA phosphates, resulting in very weak attractive force. On the contrary, a tight and stable bound state is discovered for Z-DNA in the presence of Mg(2+) or Na(+), benefiting from their hydrophobic nature. Based on the contact surface and a dewetting process analysis, a two-stage binding process of Z-DNA is outlined: two Z-DNA first attract each other through charge screening and Mg(2+) bridges to phosphate groups in the same way as that of B-DNA, after which hydrophobic contacts of the deoxyribose groups are formed via a dewetting effect, resulting in stable attraction between two Z-DNA molecules. The highlighted hydrophobic nature of Z-DNA interaction from the current study may help to understand the biological functions of Z-DNA in gene transcription.

A possible mechanism of interleaving at weak baroclinic fronts under stable-stable stratification in the Arctic Basin

NASA Astrophysics Data System (ADS)

Kuzmina, Natalia; Izvekova, Yulia N.

2016-04-01

Some analytical solutions are found for the problem of three-dimensional instability of a weak geostrophic flow with linear velocity shear taking into account vertical diffusion of buoyancy. The analysis is based on the potential vorticity equation in a long-wave approximation when the horizontal scale of disturbances is taken much larger than the local baroclinic radius Rossby. It is hypothesized that the solutions found can be applied to describe stable and unstable disturbances of planetary scale with respect, especially, to the Arctic basin where weak baroclinic fronts with typical temporal variability period of the order of several years or more are observed and the beta-effect is negligible. Stable (decreasing with time) solutions describe disturbances that, in contrast to the Rossby waves, can propagate both to the west and east depending on the sign of linear shear of geostrophic velocity. The unstable (growing with time) solutions are applied to describe large-scale intrusions at baroclinic fronts under stable-stable thermohaline stratification observed in the upper layer of the Polar Deep Water in the Eurasian basin. The proposed description of intrusive layering can be considered as a possible alternative to the mechanism of interleaving due to the differential mixing (Merryfield, 2002; Kuzmina et al., 2011). References Kuzmina N., Rudels B., Zhurbas V., Stipa T. On the structure and dynamical features of intrusive layering in the Eurasian Basin in the Arctic Ocean. J. Geophys. Res., 2011, 116, C00D11, doi:10.1029/2010JC006920. Merryfield W. J. Intrusions in double-diffusively stable Arctic Waters: Evidence for differential mixing? J. Phys. Oceanogr., 2002, 32, 1452-1439.

Theoretical study of X⁻ · 1 · YF (1 = triazine, X = Cl, Br and I, Y = H, Cl, Br, I, PH₂ and AsH₂): noncovalently electron-withdrawing effects on anion-arene interactions.

PubMed

Chen, Yishan; Yao, Lifeng

2014-01-01

The ternary complexes X(-) · 1 · YF (1 = triazine, X = Cl, Br and I, Y = H, Cl, Br, I, PH2 and AsH2) have been investigated by MP2 calculations to understand the noncovalently electron-withdrawing effects on anion-arene interactions. The results indicate that in binary complexes (1 · X(-)), both weak σ-type and anion-π complexes can be formed for Cl(-) and Br(-), but only anion-π complex can be formed for I(-). Moreover, the hydrogen-bonding complex is the global minimum for all three halides in binary complexes. However, in ternary complexes, anion-π complex become unstable and only σ complex can retain in many cases for Cl(-) and Br(-). Anion-π complex keeps stable only when YF = HF. In contrast with binary complexes, σ complex become the global minimum for Cl(-) and Br(-) in ternary complexes. These changes in binding mode and strength are consistent with the results of covalently electron-withdrawing effects. However, in contrast with the covalently electron-withdrawing substituents, Cl(-) and Br(-) can attack the aromatic carbon atom to form a strong σ complex when the noncovalently electron-withdrawing effect is induced by halogen bonding. The binding behavior for I(-) is different from that for Cl(-) and Br(-) in two aspects. First, the anion-π complex for I(-) can also keep stable when the noncovalent interaction is halogen bonding. Second, the anion-π complex for I(-) is the global minimum when it can retain as a stable structure.

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.

New Stable Cu(I) Catalyst Supported on Weakly Acidic Polyacrylate Resin for Green C-N Coupling: Synthesis of N-(Pyridin-4-yl)benzene Amines and N,N-Bis(pyridine-4-yl)benzene Amines.

PubMed

Kore, Nitin; Pazdera, Pavel

2016-12-22

A method for preparation of a new stable Cu(I) catalyst supported on weakly acidic polyacrylate resin without additional stabilizing ligands is described. A simple and efficient methodology for Ullmann Cu(I) catalyzed C-N cross coupling reactions using this original catalyst is reported. Coupling reactions of 4-chloropyridinium chloride with anilines containing electron donating (EDG) or electron withdrawing (EWG) groups, naphthalen-2-amine and piperazine, respectively, are successfully demonstrated.

Optical Feshbach resonances and ground-state-molecule production in the RbHg system

NASA Astrophysics Data System (ADS)

Borkowski, Mateusz; Muñoz Rodriguez, Rodolfo; Kosicki, Maciej B.; Ciuryło, Roman; Żuchowski, Piotr S.

2017-12-01

We present the prospects for photoassociation, optical control of interspecies scattering lengths, and, finally, the production of ultracold absolute ground-state molecules in the Rb+Hg system. We use the state-of-the-art ab initio methods for the calculations of ground- [CCSD(T)] and excited-state (EOM-CCSD) potential curves. The RbHg system, thanks to the wide range of stable Hg bosonic isotopes, offers possibilities for mass tuning of ground-state interactions. The optical lengths describing the strengths of optical Feshbach resonances near the Rb transitions are favorable even at large laser detunings. Ground-state RbHg molecules can be produced with efficiencies ranging from about 20% for deeply bound to at least 50% for weakly bound states close to the dissociation limit. Finally, electronic transitions with favorable Franck-Condon factors can be found for the purposes of a STIRAP transfer of the weakly bound RbHg molecules to the absolute ground state using commercially available lasers.

Pleiotropic Stabilizing Selection Limits the Number of Polymorphic Loci to at Most the Number of Characters

PubMed Central

Hastings, A.; Hom, C. L.

1989-01-01

We demonstrate that, in a model incorporating weak Gaussian stabilizing selection on n additively determined characters, at most n loci are polymorphic at a stable equilibrium. The number of characters is defined to be the number of independent components in the Gaussian selection scheme. We also assume linkage equilibrium, and that either the number of loci is large enough that the phenotypic distribution in the population can be approximated as multivariate Gaussian or that selection is weak enough that the mean fitness of the population can be approximated using only the mean and the variance of the characters in the population. Our results appear to rule out antagonistic pleiotropy without epistasis as a major force in maintaining additive genetic variation in a uniform environment. However, they are consistent with the maintenance of variability by genotype-environment interaction if a trait in different environments corresponds to different characters and the number of different environments exceeds the number of polymorphic loci that affect the trait. PMID:2767424

TD-M06-2X insights into the absorption and emission spectra of dichlorvos and its molecularly imprinted recognition by methacrylic acid.

PubMed

Cheng, Xueli

2016-11-01

The absorption and emission spectra of dichlorvos and the dichlorvos-MAA complex in methanol, water, and chloroform in the molecularly imprinted recognition were investigated systematically. The M06-2X results revealed that: 1) the hydroxyl groups in polar solvents such as methanol and water may markedly influence the weak interactions, and then alter the adsorption and emission spectra; 2) the electronic excitation in absorption spectra of dichlorvos is dominated by the configuration HOMO → LUMO, but in the most stable dichlorvos-MAA it becomes the ππ* excitation of HOMO → LUMO + 1; 3) Mulliken charges reveal that dichlorvos almost dissociates to Cl - and a cation in its S 1 excitation state; 4) the phosphorescence spectra of dichlorvos-MAA are relatively weak. Graphical Abstract The absorption and emission spectra of dichlorvos and the dichlorvos-MAA complex in the molecularly imprinted recognition of dichlorvos were investigated systematically in methanol, water, and chloroform as solvents.

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.

Dynamics of an ant-plant-pollinator model

NASA Astrophysics Data System (ADS)

Wang, Yuanshi; DeAngelis, Donald L.; Nathaniel Holland, J.

2015-03-01

In this paper, we consider plant-pollinator-ant systems in which plant-pollinator interaction and plant-ant interaction are both mutualistic, but there also exists interference of pollinators by ants. The plant-pollinator interaction can be described by a Beddington-DeAngelis formula, so we extend the formula to characterize plant-pollinator mutualisms, including the interference by ants, and form a plant-pollinator-ant model. Using dynamical systems theory, we show uniform persistence of the model. Moreover, we demonstrate conditions under which boundary equilibria are globally asymptotically stable. The dynamics exhibit mechanisms by which the three species could coexist when ants interfere with pollinators. We define a threshold in ant interference. When ant interference is strong, it can drive plant-pollinator mutualisms to extinction. Furthermore, if the ants depend on pollination mutualism for their persistence, then sufficiently strong ant interference could lead to their own extinction as well. Yet, when ant interference is weak, plant-ant and plant-pollinator mutualisms can promote the persistence of one another.

Cohesiveness tunes assembly and morphology of FG nucleoporin domain meshworks – Implications for nuclear pore permeability

PubMed Central

Eisele, Nico B.; Labokha, Aksana A.; Frey, Steffen; Görlich, Dirk; Richter, Ralf P.

2013-01-01

Nuclear pore complexes control the exchange of macromolecules between the cytoplasm and the nucleus. A selective permeability barrier that arises from a supramolecular assembly of intrinsically unfolded nucleoporin domains rich in phenylalanine-glycine dipeptides (FG domains) fills the nuclear pore. There is increasing evidence that selective transport requires cohesive FG domain interactions. To understand the functional roles of cohesive interactions, we studied monolayers of end-grafted FG domains as a bottom-up nanoscale model system of the permeability barrier. Based on detailed physicochemical analysis of the model films and comparison of the data with polymer theory, we propose that cohesiveness is tuned to promote rapid assembly of the permeability barrier and to generate a stable and compact pore-filling meshwork with a small mesh size. Our results highlight the functional importance of weak interactions, typically a few kBT per chain, and contribute important information to understand the mechanism of size-selective transport. PMID:24138862

DFT study of ethyl xanthate interaction with sphalerite (1 1 0) surface in the absence and presence of copper

NASA Astrophysics Data System (ADS)

Liu, Jian; Wen, Shuming; Deng, Jiushuai; Chen, Xiumin; Feng, Qicheng

2014-08-01

The interaction among sphalerite (1 1 0) surface, copper and ethyl xanthate (EX) was simulated using the density functional theory (DFT). The results of DFT indicate that four types of stable interaction models exist among sphalerite surface, copper and EX, i.e., EX interacts with the Cu substituted for Zn, Cu adsorbed on the top site of S, Cu adsorbed on the bridge site of S and Cu(OH)2 adsorbed on the sphalerite surface. The four interaction models can result in the activation flotation of sphalerite. Density of states (DOS) analysis shows that the energy level discrepancy of the Zn 3d orbital in ZnS and the bonding S 3p orbital in EX results in the weak adsorption of EX on un-activated sphalerite surface. However, after copper activation, the Cu 3d orbital peak and bonding S 3p orbital peak are just maximally overlapped nearby the Fermi level. This study provides an insight into the nature that sphalerite responds not well to EX and also a comprehensive understanding on the possible interaction cases existing among sphalerite surface, copper and EX.

Macroion induced dehydration of weak polyelectrolyte brushes

NASA Astrophysics Data System (ADS)

Zheng, Zhongli; Zhu, Y. Elaine

2014-03-01

The interaction of macroions, including polyelectrolytes, DNAs, and proteins, with polymer and cellular surfaces is critically related to many biomolecular activities, such as protein adsorption and DNA hybridization at probe surfaces. In an experimental approach to examine the macroion electrostatic interaction with a polymer surface while minimizing the long-debated hydrophobic interaction, we study the interaction of molybdenum-based inorganic polyoxometalate (POM) nanoclusters carrying 42 negative charges as model hydrophilic macroions with surface-tethered poly-2-vinylpyridine (P2VP) brushes immersed in aqueous solutions. By AFM, QCM, and contact goniometer, we have observed the collapse of P2VP chains by adding POM macroions at a constant pH. Surprisingly, added POM macroions can cause the shift of swollen-to-collapse transition pH to a lower value, in contrast to the shift to high pH value by adding simple monovalent salts. At sufficiently high POM concentration, a stable POM-P2VP composite layer, showing little dependence on solution pH and additional salts, can be formed, suggesting a simple route to construct meso-porous polymer membranes.

Weak hydrogen bond topology in 1,1-difluoroethane dimer: A rotational study

NASA Astrophysics Data System (ADS)

Chen, Junhua; Zheng, Yang; Wang, Juan; Feng, Gang; Xia, Zhining; Gou, Qian

2017-09-01

The rotational spectrum of the 1,1-difluoroethane dimer has been investigated by pulsed-jet Fourier transform microwave spectroscopy. Two most stable isomers have been detected, which are both stabilized by a network of three C—H⋯F—C weak hydrogen bonds: in the most stable isomer, two difluoromethyl C—H groups and one methyl C—H group act as the weak proton donors whilst in the second isomer, two methyl C—H groups and one difluoromethyl C—H group act as the weak proton donors. For the global minimum, the measurements have also been extended to its four 13C isotopologues in natural abundance, allowing a precise, although partial, structural determination. Relative intensity measurements on a set of μa-type transitions allowed estimating the relative population ratio of the two isomers as NI/NII ˜ 6/1 in the pulsed jet, indicating a much larger energy gap between these two isomers than that expected from ab initio calculation, consistent with the result from pseudo-diatomic dissociation energies estimation.

The stability of aluminium oxide monolayer and its interface with two-dimensional materials

NASA Astrophysics Data System (ADS)

Song, Ting Ting; Yang, Ming; Chai, Jian Wei; Callsen, Martin; Zhou, Jun; Yang, Tong; Zhang, Zheng; Pan, Ji Sheng; Chi, Dong Zhi; Feng, Yuan Ping; Wang, Shi Jie

2016-07-01

The miniaturization of future electronic devices requires the knowledge of interfacial properties between two-dimensional channel materials and high-κ dielectrics in the limit of one atomic layer thickness. In this report, by combining particle-swarm optimization method with first-principles calculations, we present a detailed study of structural, electronic, mechanical, and dielectric properties of Al2O3 monolayer. We predict that planar Al2O3 monolayer is globally stable with a direct band gap of 5.99 eV and thermal stability up to 1100 K. The stability of this high-κ oxide monolayer can be enhanced by substrates such as graphene, for which the interfacial interaction is found to be weak. The band offsets between the Al2O3 monolayer and graphene are large enough for electronic applications. Our results not only predict a stable high-κ oxide monolayer, but also improve the understanding of interfacial properties between a high-κ dielectric monolayer and two-dimensional material.

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.

Characterization of synthetic macroporous ion-exchange resins in low-pressure cartridges and columns. Evaluation of the performance of Macro-Prep 50 S resin in the purification of anti-Klenow antibodies from goat serum.

PubMed

Dunn, L; Abouelezz, M; Cummings, L; Navvab, M; Ordunez, C; Siebert, C J; Talmadge, K W

1991-07-12

Three ion-exchange materials and one hydrophobic-interaction chromatography packing, based on a rigid macroporous polymer with large, relatively uniform pores, have been evaluated for low-pressure liquid chromatography of antibodies. These sorbents have high capacities for both small and large proteins and are mechanically, chemically, and thermally stable. Macro-Prep 50 S. CM and Q ion-exchange materials are strongly acidic, weakly acidic, and strongly basic, respectively. Protein binding and recovery, pressure-flow properties, and chemical and thermal stability were determined for each sorbent. A rapid, two-step method for the purification of anti-Klenow antibodies from goat serum was developed, based on the Macro-Prep 50 S strong-acid cation-exchange material and the Econo-Pac HIC prepacked hydrophobic-interaction cartridge.

Explosive magnetorotational instability in Keplerian disks

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

Shtemler, Yu., E-mail: shtemler@bgu.ac.il; Liverts, E., E-mail: eliverts@bgu.ac.il; Mond, M., E-mail: mond@bgu.ac.il

Differentially rotating disks under the effect of axial magnetic field are prone to a nonlinear explosive magnetorotational instability (EMRI). The dynamic equations that govern the temporal evolution of the amplitudes of three weakly detuned resonantly interacting modes are derived. As distinct from exponential growth in the strict resonance triads, EMRI occurs due to the resonant interactions of an MRI mode with stable Alfvén–Coriolis and magnetosonic modes. Numerical solutions of the dynamic equations for amplitudes of a triad indicate that two types of perturbations behavior can be excited for resonance conditions: (i) EMRI which leads to infinite values of the threemore » amplitudes within a finite time, and (ii) bounded irregular oscillations of all three amplitudes. Asymptotic explicit solutions of the dynamic equations are obtained for EMRI regimes and are shown to match the numerical solutions near the explosion time.« less

Stable swarming using adaptive long-range interactions

NASA Astrophysics Data System (ADS)

Gorbonos, Dan; Gov, Nir S.

2017-04-01

Sensory mechanisms in biology, from cells to humans, have the property of adaptivity, whereby the response produced by the sensor is adapted to the overall amplitude of the signal, reducing the sensitivity in the presence of strong stimulus, while increasing it when it is weak. This property is inherently energy consuming and a manifestation of the nonequilibrium nature of living organisms. We explore here how adaptivity affects the effective forces that organisms feel due to others in the context of a uniform swarm, in both two and three dimensions. The interactions between the individuals are taken to be attractive and long-range and of power-law form. We find that the effects of adaptivity inside the swarm are dramatic, where the effective forces decrease (or remain constant) with increasing swarm density. Linear stability analysis demonstrates how this property prevents collapse (Jeans instability), when the forces are adaptive. Adaptivity therefore endows swarms with a natural mechanism for self-stabilization.

Evaluating the phase diagram of superconductors with asymmetric spin populations

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

Mannarelli, Massimo; Nardulli, Giuseppe; Ruggieri, Marco

2006-09-15

The phase diagram of a nonrelativistic fermionic system with imbalanced state populations interacting via a short-range S-wave attractive interaction is analyzed in the mean-field approximation. We determine the energetically favored state for different values of the mismatch between the two Fermi spheres in the weak- and strong-coupling regimes considering both homogeneous and nonhomogeneous superconductive states. We find that the homogeneous superconductive phase persists for values of the population imbalance that increase with increasing coupling strength. In the strong-coupling regime and for large population differences the energetically stable homogeneous phase is characterized by one gapless mode. We also find that themore » inhomogeneous superconductive phase characterized by the condensate {delta}(x){approx}{delta} exp(iq{center_dot}x) is energetically favored in a range of values of the chemical-potential mismatch that shrinks to zero in the strong-coupling regime.« less

No complexity–stability relationship in empirical ecosystems

PubMed Central

Jacquet, Claire; Moritz, Charlotte; Morissette, Lyne; Legagneux, Pierre; Massol, François; Archambault, Philippe; Gravel, Dominique

2016-01-01

Understanding the mechanisms responsible for stability and persistence of ecosystems is one of the greatest challenges in ecology. Robert May showed that, contrary to intuition, complex randomly built ecosystems are less likely to be stable than simpler ones. Few attempts have been tried to test May's prediction empirically, and we still ignore what is the actual complexity–stability relationship in natural ecosystems. Here we perform a stability analysis of 116 quantitative food webs sampled worldwide. We find that classic descriptors of complexity (species richness, connectance and interaction strength) are not associated with stability in empirical food webs. Further analysis reveals that a correlation between the effects of predators on prey and those of prey on predators, combined with a high frequency of weak interactions, stabilize food web dynamics relative to the random expectation. We conclude that empirical food webs have several non-random properties contributing to the absence of a complexity–stability relationship. PMID:27553393

{sup 85}Rb tunable-interaction Bose-Einstein condensate machine

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

Altin, P. A.; Robins, N. P.; Doering, D.

We describe our experimental setup for creating stable Bose-Einstein condensates (BECs) of {sup 85}Rb with tunable interparticle interactions. We use sympathetic cooling with {sup 87}Rb in two stages, initially in a tight Ioffe-Pritchard magnetic trap and subsequently in a weak, large-volume, crossed optical dipole trap, using the 155 G Feshbach resonance to manipulate the elastic and inelastic scattering properties of the {sup 85}Rb atoms. Typical {sup 85}Rb condensates contain 4x10{sup 4} atoms with a scattering length of a=+200a{sub 0}. Many aspects of the design presented here could be adapted to other dual-species BEC machines, including those involving degenerate Fermi-Bose mixtures.more » Our minimalist apparatus is well suited to experiments on dual-species and spinor Rb condensates, and has several simplifications over the {sup 85}Rb BEC machine at JILA, which we discuss at the end of this article.« less

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.

Structural, elastic, electronic and dynamical properties of OsB and ReB: Density functional calculations

NASA Astrophysics Data System (ADS)

Li, Yanling; Zeng, Zhi; Lin, Haiqing

2010-06-01

The structural, elastic, electronic and dynamical properties of ReB and OsB are investigated by first-principles calculations based on density functional theory. It turns out that ReB and OsB are metallic ultra-incompressible solids with small elastic anisotropy and high hardness. The change of c/ a ratio in OsB indicates that there is a structural phase transition at about 31 GPa. Phonon spectra calculations show that both OsB and ReB are stable dynamically and there are abnormal phonon dispersions along special directions in Brillouin zone. OsB and ReB do not show superconductivity due to very weak electron-phonon interactions in them.

Numerical Modeling Studies of Wake Vortices: Real Case Simulations

NASA Technical Reports Server (NTRS)

Shen, Shao-Hua; Ding, Feng; Han, Jongil; Lin, Yuh-Lang; Arya, S. Pal; Proctor, Fred H.

1999-01-01

A three-dimensional large-eddy simulation model, TASS, is used to simulate the behavior of aircraft wake vortices in a real atmosphere. The purpose for this study is to validate the use of TASS for simulating the decay and transport of wake vortices. Three simulations are performed and the results are compared with the observed data from the 1994-1995 Memphis field experiments. The selected cases have an atmospheric environment of weak turbulence and stable stratification. The model simulations are initialized with appropriate meteorological conditions and a post roll-up vortex system. The behavior of wake vortices as they descend within the atmospheric boundary layer and interact with the ground is discussed.

A model for the coevolution of immunity and immune evasion in vector-borne diseases with implications for the epidemiology of malaria.

PubMed

Koella, Jacob C; Boëte, C

2003-05-01

We describe a model of host-parasite coevolution, where the interaction depends on the investments by the host in its immune response and by the parasite in its ability to suppress (or evade) its host's immune response. We base our model on the interaction between malaria parasites and their mosquito hosts and thus describe the epidemiological dynamics with the Macdonald-Ross equation of malaria epidemiology. The qualitative predictions of the model are most sensitive to the cost of the immune response and to the intensity of transmission. If transmission is weak or the cost of immunity is low, the system evolves to a coevolutionarily stable equilibrium at intermediate levels of investment (and, generally, at a low frequency of resistance). At a higher cost of immunity and as transmission intensifies, the system is not evolutionarily stable but rather cycles around intermediate levels of investment. At more intense transmission, neither host nor parasite invests any resources in dominating its partner so that no resistance is observed in the population. These results may help to explain the lack of encapsulated malaria parasites generally observed in natural populations of mosquito vectors, despite strong selection pressure for resistance in areas of very intense transmission.

Progressive reactivation of the volcanic plumbing system beneath Tolbachik volcano (Kamchatka, Russia) revealed by long-period seismicity

NASA Astrophysics Data System (ADS)

Frank, William B.; Shapiro, Nikolaï M.; Gusev, Alexander A.

2018-07-01

After lying dormant for 36 yr, the Tolbachik volcano of the Klyuchevskoy group started to erupt on 27 November 2012. We investigate the preparatory phase of this eruption via a statistical analysis of the temporal behavior of long-period (LP) earthquakes that occurred beneath this volcanic system. The LP seismicity occurs close to the surface beneath the main volcanic edifices and at 30 km depth in the vicinity of a deep magmatic reservoir. The deep LP earthquakes and those beneath the Klyuchevskoy volcano occur quasi-periodically, while the LP earthquakes beneath Tolbachik are clustered in time. As the seismicity rate increased beneath Tolbachik days before the eruption, the level of the time clustering decreased. We interpret this as a manifestation of the evolution of the volcano plumbing system. We suggest that when a plumbing system awakes after quiescence, multiple cracks and channels are reactivated simultaneously and their interaction results in the strong time clustering of LP earthquakes. With time, this network of channels and cracks evolves into a more stable state with an overall increased permeability, where fluids flow uninhibited throughout the plumbing system except for a few remaining impediments that continue to generate seismic radiation. The inter-seismic source interaction and the level of earthquake time clustering in this latter state is weak. This scenario suggests that the observed evolution of the statistical behavior of the shallow LP seismicity beneath Tolbachik is an indicator of the reactivation and consolidation of the near-surface plumbing system prior to the Tolbachik eruption. The parts of the plumbing system above the deep magmatic reservoir and beneath the Klyuchevskoy volcano remain in nearly permanent activity, as demonstrated by the continuous occurrence of the deep LP earthquakes and very frequent Klyuchevskoy eruptions. This implies that these parts of the plumbing system remain in a stable permeable state and contain a few weakly interacting seismogenic sources. Our results provide new constraints on future mechanical models of the magmatic plumbing systems and demonstrate that the level of time clustering of LP earthquakes can be a useful parameter to infer information about the state of the plumbing system.

An asymptotic safety scenario for gauged chiral Higgs-Yukawa models

NASA Astrophysics Data System (ADS)

Gies, Holger; Rechenberger, Stefan; Scherer, Michael M.; Zambelli, Luca

2013-12-01

We investigate chiral Higgs-Yukawa models with a non-abelian gauged left-handed sector reminiscent to a sub-sector of the standard model. We discover a new weak-coupling fixed-point behavior that allows for ultraviolet complete RG trajectories which can be connected with a conventional long-range infrared behavior in the Higgs phase. This non-trivial ultraviolet behavior is characterized by asymptotic freedom in all interaction couplings, but a quasi conformal behavior in all mass-like parameters. The stable microscopic scalar potential asymptotically approaches flatness in the ultraviolet, however, with a non-vanishing minimum increasing inversely proportional to the asymptotically free gauge coupling. This gives rise to non-perturbative—though weak-coupling—threshold effects which induce ultraviolet stability along a line of fixed points. Despite the weak-coupling properties, the system exhibits non-Gaußian features which are distinctly different from its standard perturbative counterpart: e.g., on a branch of the line of fixed points, we find linear instead of quadratically running renormalization constants. Whereas the Fermi constant and the top mass are naturally of the same order of magnitude, our model generically allows for light Higgs boson masses. Realistic mass ratios are related to particular RG trajectories with a "walking" mid-momentum regime.

Hybrid inverter for HVDC/weak AC system interconnection

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

Tam, K.S.

1985-01-01

The concept of the hybrid converter is introduced. By independently controlling a naturally commutated converter (NCC) and an artificially commutated converter (ACC), real power and reactive power can be controlled independently. Alternatively, the ac bus voltage can be regulated without affecting the real power transfer. Independent control is feasible only within certain operating boundaries. Twelve pulse operation, sequential control, and complementary circuits may be viewed as variations of the hybrid converter. The concept of the hybrid converter is demonstrated by digital simulation. At the current state of technology, the NCC is best implemented by a 6-pulse bridge using thyristors asmore » the switching elements. A survey of power electronics applicable to HVDC applications reveals that the capacitively commutated current-sourced converters are either technically or economically better than the other alternatives for the implementation of the ACC. The digital simulation results show that the problems of operating an HVDC system into a weak ac system can be solved by using a hybrid inverter. A new control scheme, the zero Q control, is developed. With no reactive power interaction between the dc system and the ac system, the stability of the HVDC/weak ac system operation is significantly improved. System start-up and fault recovery is fast and stable.« less

Root (Botany)

Treesearch

Robert R. Ziemer

1981-01-01

Plant roots can contribute significantly to the stability of steep slopes. They can anchor through the soil mass into fractures in bedrock, can cross zones of weakness to more stable soil, and can provide interlocking long fibrous binders within a weak soil mass. In deep soil, anchoring to bedrock becomes negligible, and lateral reinforcement predominates

The effect of molecular shape on oligomerization of hydrophobic drugs: Molecular simulations of ciprofloxacin and nutlin

NASA Astrophysics Data System (ADS)

Li, Jianguo; Beuerman, Roger; Verma, Chandra

2018-03-01

Molecular aggregation plays a significant role in modulating the solubility, permeability, and bioactivity of drugs. The propensity to aggregate depends on hydrophobicity and on molecular shape. Molecular dynamics simulations coupled with enhanced sampling methods are used to explore the early stages of oligomerization of two drug molecules which have a strong aggregation propensity, but with contrasting molecule shapes: the antibiotic ciprofloxacin and the anticancer drug Nutlin-3A. The planar shape of ciprofloxacin induces the formation of stable oligomers at all cluster sizes. The aggregation of ciprofloxacin is driven by two-body interactions, and transferring one ciprofloxacin molecule to an existing cluster involves the desolvation of two faces and the concomitant hydrophobic interactions between the two faces; thus, the corresponding free energy of oligomerization weakly depends on the oligomer size. By contrast, Nutlin-3A has a star-shape and hence can only form stable oligomers when the cluster size is greater than 8. Free energy simulations further confirmed that the free energy of oligomer formation for Nutlin-3A becomes more favorable as the oligomer becomes larger. The aggregation of star-shaped Nutlin-3A results from many-body interactions and hence the free energy of cluster formation is strongly dependent on the size. The findings of this study provide atomistic insights into how molecular shape modulates the aggregation behavior of molecules and may be factored into the design of drugs or nano-particles.

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.

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.

Effective Identification of Akt Interacting Proteins by Two-Step Chemical Crosslinking, Co-Immunoprecipitation and Mass Spectrometry

PubMed Central

Huang, Bill X.; Kim, Hee-Yong

2013-01-01

Akt is a critical protein for cell survival and known to interact with various proteins. However, Akt binding partners that modulate or regulate Akt activation have not been fully elucidated. Identification of Akt-interacting proteins has been customarily achieved by co-immunoprecipitation combined with western blot and/or MS analysis. An intrinsic problem of the method is loss of interacting proteins during procedures to remove non-specific proteins. Moreover, antibody contamination often interferes with the detection of less abundant proteins. Here, we developed a novel two-step chemical crosslinking strategy to overcome these problems which resulted in a dramatic improvement in identifying Akt interacting partners. Akt antibody was first immobilized on protein A/G beads using disuccinimidyl suberate and allowed to bind to cellular Akt along with its interacting proteins. Subsequently, dithiobis[succinimidylpropionate], a cleavable crosslinker, was introduced to produce stable complexes between Akt and binding partners prior to the SDS-PAGE and nanoLC-MS/MS analysis. This approach enabled identification of ten Akt partners from cell lysates containing as low as 1.5 mg proteins, including two new potential Akt interacting partners. None of these but one protein was detectable without crosslinking procedures. The present method provides a sensitive and effective tool to probe Akt-interacting proteins. This strategy should also prove useful for other protein interactions, particularly those involving less abundant or weakly associating partners. PMID:23613850

Weak hydrogen bond topology in 1,1-difluoroethane dimer: A rotational study.

PubMed

Chen, Junhua; Zheng, Yang; Wang, Juan; Feng, Gang; Xia, Zhining; Gou, Qian

2017-09-07

The rotational spectrum of the 1,1-difluoroethane dimer has been investigated by pulsed-jet Fourier transform microwave spectroscopy. Two most stable isomers have been detected, which are both stabilized by a network of three C-H⋯F-C weak hydrogen bonds: in the most stable isomer, two difluoromethyl C-H groups and one methyl C-H group act as the weak proton donors whilst in the second isomer, two methyl C-H groups and one difluoromethyl C-H group act as the weak proton donors. For the global minimum, the measurements have also been extended to its four 13 C isotopologues in natural abundance, allowing a precise, although partial, structural determination. Relative intensity measurements on a set of μ a -type transitions allowed estimating the relative population ratio of the two isomers as N I /N II ∼ 6/1 in the pulsed jet, indicating a much larger energy gap between these two isomers than that expected from ab initio calculation, consistent with the result from pseudo-diatomic dissociation energies estimation.

Chiral self-recognition: direct spectroscopic detection of the homochiral and heterochiral dimers of propylene oxide in the gas phase.

PubMed

Su, Zheng; Borho, Nicole; Xu, Yunjie

2006-12-27

In this report, we describe rotational spectroscopic and high-level ab initio studies of the 1:1 chiral molecular adduct of propylene oxide dimer. The complexes are bound by weak secondary hydrogen bonds, that is, the O(epoxy)...H-C noncovalent interactions. Six homochiral and six heterochiral conformers were predicted to be the most stable configurations where each monomer acts as a proton acceptor and a donor simultaneously, forming two six- or five-membered intermolecular hydrogen-bonded rings. Rotational spectra of six, that is, three homochiral and heterochiral conformer pairs, out of the eight conformers that were predicted to have sufficiently large permanent electric dipole moments were measured and analyzed. The relative conformational stability order and the signs of the chiral recognition energies of the six conformers were determined experimentally and were compared to the ab initio computational results. The experimental observations and the ab initio calculations suggest that the concerted effort of these weak secondary hydrogen bonds can successfully lock the subunits in a particular orientation and that the overall binding strength is comparable to a classic hydrogen bond.

Effects of electronic interactions near the topological semimetal-insulator quantum phase transition in two dimensions

NASA Astrophysics Data System (ADS)

Roy, Bitan; Foster, Matthew

The quasiparticle dispersion of gapless excitations residing at the quantum critical point (QCP) separating a two dimensional topological Dirac semimetal and a symmetry preserving band insulator, displays distinct power-law dependence with various components of spatial momenta. In this talk first I will review scaling of various thermodynamic and transport quantities at this QCP. Next I will demonstrate that even though such noninteracting QCP is stable against sufficiently weak but generic short-range interaction, the direct transition between the Dirac semimetal and band insulator can either (i) become a fluctuation driven first order transition, or (ii) get eliminated by an intervening broken symmetry phase, with staggered pattern in charge or spin being two prominent candidates, for sufficiently strong interactions. The novel quantum critical phenomena associated with the instability of critical excitations toward the formation of various broken symmetry phases will be discussed. Relevance of our study in strained graphene, black phosphorus, pressured organic compounds and oxide heterostructure will be highlighted. Welch Foundation Grant No. C-1809, NSF CAREER Grant No. DMR-1552327.

3-Amino-1,2,4-triazolium ion in [24(3at)]Cl and [24(3at)]2SnCl6·H2O. Comparative X-ray, vibrational and theoretical studies

NASA Astrophysics Data System (ADS)

Daszkiewicz, Marek; Marchewka, Mariusz K.

2012-09-01

Crystal structures of 3-amino-1,2,4-triazolium chloride and bis(3-amino-1,2,4-triazolium) hexachloridostannate monohydrate were determined by means of X-ray single crystal diffraction. The route of protonation of organic molecule and tautomer equilibrium constants for the cationic forms were calculated using B3LYP/6-31G* method. The most stable protonated species is 2,4-H2-3-amino-1,2,4-triazolium ion, 24(3at)+. Very good agreement between theoretical and experimental frequencies was achieved due to very weak interactions existing in studied compounds. Significantly weaker intermolecular interactions are found in [24(3at)]2SnCl6·H2O than in [24(3at)]Cl. The differences in strength of interactions are manifested in red and blue shifts for stretching and bending motions, respectively. PED calculations show that for 24(3at)+ ion the stretching type of motion of two Nringsbnd H bonds is independent, whereas bending is coupled.

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…

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.

Array design considerations for exploitation of stable weakly dispersive modal pulses in the deep ocean

NASA Astrophysics Data System (ADS)

Udovydchenkov, Ilya A.

2017-07-01

Modal pulses are broadband contributions to an acoustic wave field with fixed mode number. Stable weakly dispersive modal pulses (SWDMPs) are special modal pulses that are characterized by weak dispersion and weak scattering-induced broadening and are thus suitable for communications applications. This paper investigates, using numerical simulations, receiver array requirements for recovering information carried by SWDMPs under various signal-to-noise ratio conditions without performing channel equalization. Two groups of weakly dispersive modal pulses are common in typical mid-latitude deep ocean environments: the lowest order modes (typically modes 1-3 at 75 Hz), and intermediate order modes whose waveguide invariant is near-zero (often around mode 20 at 75 Hz). Information loss is quantified by the bit error rate (BER) of a recovered binary phase-coded signal. With fixed receiver depths, low BERs (less than 1%) are achieved at ranges up to 400 km with three hydrophones for mode 1 with 90% probability and with 34 hydrophones for mode 20 with 80% probability. With optimal receiver depths, depending on propagation range, only a few, sometimes only two, hydrophones are often sufficient for low BERs, even with intermediate mode numbers. Full modal resolution is unnecessary to achieve low BERs. Thus, a flexible receiver array of autonomous vehicles can outperform a cabled array.

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.

Improving Core Strength to Prevent Injury

ERIC Educational Resources Information Center

Oliver, Gretchen D.; Adams-Blair, Heather R.

2010-01-01

Regardless of the sport or skill, it is essential to have correct biomechanical positioning, or postural control, in order to maximize energy transfer. Correct postural control requires a strong, stable core. A strong and stable core allows one to transfer energy effectively as well as reduce undue stress. An unstable or weak core, on the other…

The role of vegetation in the stability of forested slopes

Treesearch

Robert R. Ziemer

1981-01-01

Summary - Vegetation helps stabilize forested slopes by providing root strength and by modifying the saturated soil water regime. Plant roots can anchor through the soil mass into fractures in bedrock, can cross zones of weakness to more stable soil, and can provide interlocking long fibrous binders within a weak soil mass. In Mediterranean-type climates, having warm...

Fundamental Particle Structure in the Cosmological Dark Matter

NASA Astrophysics Data System (ADS)

Khlopov, Maxim

2013-11-01

The nonbaryonic dark matter of the universe is assumed to consist of new stable forms of matter. Their stability reflects symmetry of micro-world and mechanisms of its symmetry breaking. Particle candidates for cosmological dark matter are lightest particles that bear new conserved quantum numbers. Dark matter particles may represent ideal gas of noninteracting particles. Self-interacting dark matter weakly or superweakly coupled to ordinary matter is also possible, reflecting nontrivial pattern of particle symmetry in the hidden sector of particle theory. In the early universe the structure of particle symmetry breaking gives rise to cosmological phase transitions, from which macroscopic cosmological defects or primordial nonlinear structures can be originated. Primordial black holes (PBHs) can be not only a candidate for dark matter, but also represent a universal probe for superhigh energy physics in the early universe. Evaporating PBHs turn to be a source of even superweakly interacting particles, while clouds of massive PBHs can serve as nonlinear seeds for galaxy formation. The observed broken symmetry of the three known families may provide a simultaneous solution for the problems of the mass of neutrino and strong CP-violation in the unique framework of models of horizontal unification. Dark matter candidates can also appear in the new families of quarks and leptons and the existence of new stable charged leptons and quarks is possible, hidden in elusive "dark atoms." Such possibility, strongly restricted by the constraints on anomalous isotopes of light elements, is not excluded in scenarios that predict stable double charged particles. The excessive -2 charged particles are bound in these scenarios with primordial helium in O-helium "atoms," maintaining specific nuclear-interacting form of the dark matter, which may provide an interesting solution for the puzzles of the direct dark matter searches. In the context of cosmoparticle physics, studying fundamental relationship of micro- and macro-worlds, the problem of cosmological dark matter implies cross disciplinary theoretical, experimental and observational studies for its solution.

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

Stability of Local Quantum Dissipative Systems

NASA Astrophysics Data System (ADS)

Cubitt, Toby S.; Lucia, Angelo; Michalakis, Spyridon; Perez-Garcia, David

2015-08-01

Open quantum systems weakly coupled to the environment are modeled by completely positive, trace preserving semigroups of linear maps. The generators of such evolutions are called Lindbladians. In the setting of quantum many-body systems on a lattice it is natural to consider Lindbladians that decompose into a sum of local interactions with decreasing strength with respect to the size of their support. For both practical and theoretical reasons, it is crucial to estimate the impact that perturbations in the generating Lindbladian, arising as noise or errors, can have on the evolution. These local perturbations are potentially unbounded, but constrained to respect the underlying lattice structure. We show that even for polynomially decaying errors in the Lindbladian, local observables and correlation functions are stable if the unperturbed Lindbladian has a unique fixed point and a mixing time that scales logarithmically with the system size. The proof relies on Lieb-Robinson bounds, which describe a finite group velocity for propagation of information in local systems. As a main example, we prove that classical Glauber dynamics is stable under local perturbations, including perturbations in the transition rates, which may not preserve detailed balance.

Generation of entanglement in quantum parametric oscillators using phase control.

PubMed

Gonzalez-Henao, J C; Pugliese, E; Euzzor, S; Abdalah, S F; Meucci, R; Roversi, J A

2015-08-19

The control of quantum entanglement in systems in contact with environment plays an important role in information processing, cryptography and quantum computing. However, interactions with the environment, even when very weak, entail decoherence in the system with consequent loss of entanglement. Here we consider a system of two coupled oscillators in contact with a common heat bath and with a time dependent oscillation frequency. The possibility to control the entanglement of the oscillators by means of an external sinusoidal perturbation applied to the oscillation frequency has been theoretically explored. We demonstrate that the oscillators become entangled exactly in the region where the classical counterpart is unstable, otherwise when the classical system is stable, entanglement is not possible. Therefore, we can control the entanglement swapping from stable to unstable regions by adjusting amplitude and phase of our external controller. We also show that the entanglement rate is approximately proportional to the real part of the Floquet coefficient of the classical counterpart of the oscillators. Our results have the intriguing peculiarity of manipulating quantum information operating on a classical system.

Effects of surface hydroxylation on adhesion at zinc/silica interfaces.

PubMed

Le, Ha-Linh Thi; Goniakowski, Jacek; Noguera, Claudine; Koltsov, Alexey; Mataigne, Jean-Michel

2018-06-06

The weak interaction between zinc and silica is responsible for the poor performance of anti-corrosive galvanic zinc coatings on modern advanced high-strength steels, which are fundamental in the automotive industry, and important for rail transport, shipbuilding, and aerospace. With the goal of identifying possible methods for its improvement, we report an ab initio study of the effect of surface hydroxylation on the adhesion characteristics of model zinc/β-cristobalite interfaces, representative of various surface hydroxylation/hydrogenation conditions. We show that surface silanols resulting from dissociative water adsorption at the most stable stoichiometric (001) and (111) surfaces prevent strong zinc-silica interactions. However, dehydrogenation of such interfaces produces oxygen-rich zinc/silica contacts with excellent adhesion characteristics. These are due to partial zinc oxidation and the formation of strong iono-covalent Zn-O bonds between zinc atoms and the under-coordinated excess anions, remnant of the hydroxylation layer. Interestingly, these interfaces appear as the most thermodynamically stable in a wide range of realistic oxygen-rich and hydrogen-lean environments. We also point out that the partial oxidation of zinc atoms in direct contact with the oxide substrate may somewhat weaken the cohesion in the zinc deposit itself. This fundamental analysis of the microscopic mechanisms responsible for the improved zinc wetting on pre-hydroxylated silica substrates provides useful guidelines towards practical attempts to improve adhesion.

The dark side of electroweak naturalness beyond the MSSM

NASA Astrophysics Data System (ADS)

Bélanger, Geneviève; Delaunay, Cédric; Goudelis, Andreas

2015-04-01

Weak scale supersymmetry (SUSY) remains a prime explanation for the radiative stability of the Higgs field. A natural account of the Higgs boson mass, however, strongly favors extensions of the Minimal Supersymmetric Standard Model (MSSM). A plausible option is to introduce a new supersymmetric sector coupled to the MSSM Higgs fields, whose associated states resolve the little hierarchy problem between the third generation soft parameters and the weak scale. SUSY also accomodates a weakly interacting cold dark matter (DM) candidate in the form of a stable neutralino. In minimal realizations, the thus-far null results of direct DM searches, along with the DM relic abundance constraint, introduce a level of fine-tuning as severe as the one due to the SUSY little hierarchy problem. We analyse the generic implications of new SUSY sectors parametrically heavier than the minimal SUSY spectrum, devised to increase the Higgs boson mass, on this "little neutralino DM problem". We focus on the SUSY operator of smallest scaling dimension in an effective field theory description, which modifies the Higgs and DM sectors in a correlated manner. Within this framework, we show that recent null results from the LUX experiment imply a tree-level fine-tuning for gaugino DM which is parametrically at least a few times larger than that of the MSSM. Higgsino DM whose relic abundance is generated through a thermal freeze-out mechanism remains also severely fine-tuned, unless the DM lies below the weak boson pair-production threshold. As in the MSSM, well-tempered gaugino-Higgsino DM is strongly disfavored by present direct detection results.

Theoretical study of the interaction of N/sub 2/ with water molecules. (H/sub 2/O)/sub n/:N/sub 2/, n = 1--8

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

Curtiss, L.A.; Eisgruber, C.L.

1984-03-01

Ab initio molecular orbital calculations including correlation energy have been carried out on the interaction of a single H/sub 2/O molecule with N/sub 2/. The potential energy surface for H/sub 2/O:N/sub 2/ is found to have a minimum corresponding to a HOH xxx N/sub 2/ structure with a weak (<2 kcal mol/sup -1/) hydrogen bond. A second, less stable, configuration corresponding to a H/sub 2/O xxx N/sub 2/ structure with N/sub 2/ bonded side on to the oxygen of H/sub 2/O was found to be either a minimum or a saddle point in the potential energy surface depending on themore » level of calculation. The minimal STO-3G basis set was used to investigate the interaction of up to eight H/sub 2/O molecules with N/sub 2/. Two types of clusters, one containing only HOH xxx N/sub 2/ interactions and the other containing both HOH xxxN/sub 2/ and H/sub 2/O xxx N/sub 2/ interactions, were investigated for (N/sub 2/:(H/sub 2/O)/sub n/, n = 2--8).« less

Nighttime wind and scalar variability within and above an Amazonian canopy

NASA Astrophysics Data System (ADS)

Oliveira, Pablo E. S.; Acevedo, Otávio C.; Sörgel, Matthias; Tsokankunku, Anywhere; Wolff, Stefan; Araújo, Alessandro C.; Souza, Rodrigo A. F.; Sá, Marta O.; Manzi, Antônio O.; Andreae, Meinrat O.

2018-03-01

Nocturnal turbulent kinetic energy (TKE) and fluxes of energy, CO2 and O3 between the Amazon forest and the atmosphere are evaluated for a 20-day campaign at the Amazon Tall Tower Observatory (ATTO) site. The distinction of these quantities between fully turbulent (weakly stable) and intermittent (very stable) nights is discussed. Spectral analysis indicates that low-frequency, nonturbulent fluctuations are responsible for a large portion of the variability observed on intermittent nights. In these conditions, the low-frequency exchange may dominate over the turbulent transfer. In particular, we show that within the canopy most of the exchange of CO2 and H2O happens on temporal scales longer than 100 s. At 80 m, on the other hand, the turbulent fluxes are almost absent in such very stable conditions, suggesting a boundary layer shallower than 80 m. The relationship between TKE and mean winds shows that the stable boundary layer switches from the very stable to the weakly stable regime during intermittent bursts of turbulence. In general, fluxes estimated with long temporal windows that account for low-frequency effects are more dependent on the stability over a deeper layer above the forest than they are on the stability between the top of the canopy and its interior, suggesting that low-frequency processes are controlled over a deeper layer above the forest.

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.

Spin dynamics in helical molecules with nonlinear interactions

NASA Astrophysics Data System (ADS)

Díaz, E.; Albares, P.; Estévez, P. G.; Cerveró, J. M.; Gaul, C.; Diez, E.; Domínguez-Adame, F.

2018-04-01

It is widely admitted that the helical conformation of certain chiral molecules may induce a sizable spin selectivity observed in experiments. Spin selectivity arises as a result of the interplay between a helicity-induced spin–orbit coupling (SOC) and electric dipole fields in the molecule. From the theoretical point of view, different phenomena might affect the spin dynamics in helical molecules, such as quantum dephasing, dissipation and the role of metallic contacts. With a few exceptions, previous studies usually neglect the local deformation of the molecule about the carrier, but this assumption seems unrealistic to describe charge transport in molecular systems. We introduce an effective model describing the electron spin dynamics in a deformable helical molecule with weak SOC. We find that the electron–lattice interaction allows the formation of stable solitons such as bright solitons with well defined spin projection onto the molecule axis. We present a thorough study of these bright solitons and analyze their possible impact on the spin dynamics in deformable helical molecules.

Nanodiamond decorated liposomes as highly biocompatible delivery vehicles and a comparison with carbon nanotubes and graphene oxide.

PubMed

Wang, Feng; Liu, Juewen

2013-12-21

Studying interactions between nano-carbons and lipid membranes is important for multiplexed drug delivery, device fabrication and for understanding toxicity. Herein, we report that nanodiamond (ND, sp(3) carbon) forms a complex with highly biocompatible zwitterionic liposomes based on hydrogen bonding, which is confirmed by pH-dependent and urea-dependent assays. Despite such weak interaction, the complex is highly stable. Comparisons were made with two sp(2) carbons: nanoscale graphene oxide (NGO) and carbon nanotubes (CNTs), where CNT adsorption is the weakest. Adsorption of the nano-carbons does not induce liposome leakage or affect lipid phase transition temperature. Therefore, the potential toxicity of nano-carbons is unlikely to be related to direct membrane damage. ND facilitates cellular uptake of liposomes and co-delivery of negatively charged calcein and positively charged doxorubicin has been demonstrated. ND has the lowest toxicity, while CNTs and NGO are slightly more toxic. The effect of introducing fusogenic lipids and cholesterol was further studied to understand the effect of lipid formulation.

Adsorption and Formation of Small Na Clusters on Pristine and Double-Vacancy Graphene for Anodes of Na-Ion Batteries.

PubMed

Liang, Zhicong; Fan, Xiaofeng; Zheng, Weitao; Singh, David J

2017-05-24

Layered carbon is a likely anode material for Na-ion batteries (NIBs). Graphitic carbon has a low capacity of approximately 35 (mA h)/g due to the formation of NaC 64 . Using first-principles methods including van der Waals interactions, we analyze the adsorption of Na ions and clusters on graphene in the context of anodes. The interaction between Na ions and graphene is found to be weak. Small Na clusters are not stable on the surface of pristine graphene in the electrochemical environment of NIBs. However, we find that Na ions and clusters can be stored effectively on defected graphene that has double vacancies. In addition, the adsorption energy of small Na clusters near a double vacancy is found to decrease with increasing cluster size. With high concentrations of vacancies the capacity of Na on defective graphene is found to be as much as 10-30 times higher than that of graphitic carbon.

One-step template-free synthesis of 3D functionalized flower-like boron nitride nanosheets for NH3 and CO2 adsorption.

PubMed

Yang, Chen; Wang, Jinfeng; Chen, Ying; Liu, Dan; Huang, Shaoming; Lei, Weiwei

2018-06-14

3D functionalized flower-like boron nitride nanosheets (FBNNSs) were synthesized by a novel template-free method involving "cylinder compressing". Due to the high surface area (1114 m2 g-1), pore volume (0.7 cm3 g-1), hierarchical pore distributions, and abundant edge groups (-OH and -NH2), the 3D functionalized FBNNSs displayed excellent NH3 and CO2 adsorption up to 91 mg g-1 and 37.9 cc g-1 (74.4 mg g-1) at 1 bar, respectively. Moreover, the reusable performance of the material for gas adsorption was maintained for 10 cycles, indicating the stable structure of the FBNNSs. In addition, the adsorption mechanism was mainly explained by Lewis acid/base interactions, weak van der Waals interactions, and H-bonds. The combination of the enhanced adsorption capacity, excellent regenerability, and extraordinary chemical and thermal stability means that 3D FBNNSs possess huge potential for implementation in practical NH3 and CO2 capture.

H2CO3(s): a new candidate for CO2 capture and sequestration.

PubMed

Tossell, J A

2009-04-01

To reduce the magnitude of anthropogenic global warming it is necessary to remove CO2(g) from the effluent streams of coal-fired power plants and to sequester the CO2 either as a liquid or by reaction with other compounds. A major difficulty in achieving this goal arises from the very weak acidity of CO2(g), causing it to react only incompletely with weak bases, although this weak interaction does provide a means for "stripping" the CO2 from the acid-base complex at high temperatures. Reaction with strong bases like Na0H yields more stable complexes, but massive amounts of chemical reactants would need to be purchased and chemical products like NaHCO3 then stored. However, when gas-phase CO2 reacts with the weak base water (or when bicarbonate reacts with strong acid) the unstable product monomeric "H2CO3" can be formed. The free energy required is about 16 kcal/mol in the gas phase and about 10 kcal/mol in aqueous solution. This energy can be supplied by particle or photon excitation and is only a small fraction ofthe energy released when a mole of CH4 is converted to a mole of CO2. Although this monomeric compound is highly unstable, its oligomers are considerably more stable, due to internal H-bonding, with free energies for the larger oligomers in the gas phase which are about 4 kcal/(mol of H2CO3) lower, only about 6 kcal/mol H2CO3 higher than the gas-phase combination of CO2 and H2O at room temperature. Also, at lower temperature the entropic penalty for the oligomer is less and oligomeric H2CO3 becomes stable around the sublimation temperature of dry ice. This indicates that it may be possible to capture gas-phase CO2 directly, using only cheap and abundant H2O as a reactant, and to store the resulting (H2CO3)n as a oligomeric solid at only moderately cold temperatures. These conclusions are based on quantum computations that accurately reproduce the structures, spectra, and stabilities of H2CO3 oligomers. Methods for producing and characterizing the H2CO3 oligomers are discussed. However, some aspects of the proposed scheme are quite speculative and will require additional investigation. Several important questions need to be answered before the feasibility of this procedure on a planetary scale can be assessed, particularly those involving the vapor pressure curve, heat of sublimation, density, and compressibility of (H2CO3)n.

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.

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.

The rational design of a Au(I) precursor for focused electron beam induced deposition

PubMed Central

Marashdeh, Ali; Tiesma, Thiadrik; van Velzen, Niels J C; Harder, Sjoerd; Havenith, Remco W A; De Hosson, Jeff T M

2017-01-01

Au(I) complexes are studied as precursors for focused electron beam induced processing (FEBIP). FEBIP is an advanced direct-write technique for nanometer-scale chemical synthesis. The stability and volatility of the complexes are characterized to design an improved precursor for pure Au deposition. Aurophilic interactions are found to play a key role. The short lifetime of ClAuCO in vacuum is explained by strong, destabilizing Au–Au interactions in the solid phase. While aurophilic interactions do not affect the stability of ClAuPMe3, they leave the complex non-volatile. Comparison of crystal structures of ClAuPMe3 and MeAuPMe3 shows that Au–Au interactions are much weaker or partially even absent for the latter structure. This explains its high volatility. However, MeAuPMe3 dissociates unfavorably during FEBIP, making it an unsuitable precursor. The study shows that Me groups reduce aurophilic interactions, compared to Cl groups, which we attribute to electronic rather than steric effects. Therefore we propose MeAuCO as a potential FEBIP precursor. It is expected to have weak Au–Au interactions, making it volatile. It is stable enough to act as a volatile source for Au deposition, being stabilized by 6.5 kcal/mol. Finally, MeAuCO is likely to dissociate in a single step to pure Au. PMID:29354346

The rational design of a Au(I) precursor for focused electron beam induced deposition.

PubMed

Marashdeh, Ali; Tiesma, Thiadrik; van Velzen, Niels J C; Harder, Sjoerd; Havenith, Remco W A; De Hosson, Jeff T M; van Dorp, Willem F

2017-01-01

Au(I) complexes are studied as precursors for focused electron beam induced processing (FEBIP). FEBIP is an advanced direct-write technique for nanometer-scale chemical synthesis. The stability and volatility of the complexes are characterized to design an improved precursor for pure Au deposition. Aurophilic interactions are found to play a key role. The short lifetime of ClAuCO in vacuum is explained by strong, destabilizing Au-Au interactions in the solid phase. While aurophilic interactions do not affect the stability of ClAuPMe 3 , they leave the complex non-volatile. Comparison of crystal structures of ClAuPMe 3 and MeAuPMe 3 shows that Au-Au interactions are much weaker or partially even absent for the latter structure. This explains its high volatility. However, MeAuPMe 3 dissociates unfavorably during FEBIP, making it an unsuitable precursor. The study shows that Me groups reduce aurophilic interactions, compared to Cl groups, which we attribute to electronic rather than steric effects. Therefore we propose MeAuCO as a potential FEBIP precursor. It is expected to have weak Au-Au interactions, making it volatile. It is stable enough to act as a volatile source for Au deposition, being stabilized by 6.5 kcal/mol. Finally, MeAuCO is likely to dissociate in a single step to pure Au.

Forces and electronic transport in a contact formed by a graphene tip and a defective MoS2 monolayer: a theoretical study.

PubMed

di Felice, D; Dappe, Y J; González, C

2018-06-01

A theoretical study of a graphene-like tip used in atomic force microscopy (AFM) is presented. Based on first principles simulations, we proved the low reactivity of this kind of tip, using a MoS 2 monolayer as the testing sample. Our simulations show that the tip-MoS 2 interaction is mediated through weak van der Waals forces. Even on the defective monolayer, the interaction is reduced by one order of magnitude with respect to the values obtained using a highly reactive metallic tip. On the pristine monolayer, the S atoms were imaged for large distances together with the substitutional defects which should be observed as brighter spots in non-contact AFM measurements. This result is in contradiction with previous simulations performed with Cu or Si tips where the metallic defects were imaged for much larger distances than the S atoms. For shorter distances, the Mo sites will be brighter even though a vacancy is formed. On the other hand, the largest conductance value is obtained over the defect formed by two Mo atoms occupying a S divacancy when the half-occupied p y -states of the graphene-like tip find a better coupling with d-orbitals of the highest substitutional atom. Due to the weak interaction, no conductance plateau is formed in any of the sites. A great advantage of this tip lies in the absence of atomic transfer between the tip and the sample leading to a more stable AFM measurement. Finally, and as previously shown, we confirm the atomic resolution in a scanning tunneling microscopy simulation using this graphene-based tip.

Forces and electronic transport in a contact formed by a graphene tip and a defective MoS2 monolayer: a theoretical study

NASA Astrophysics Data System (ADS)

di Felice, D.; Dappe, Y. J.; González, C.

2018-06-01

A theoretical study of a graphene-like tip used in atomic force microscopy (AFM) is presented. Based on first principles simulations, we proved the low reactivity of this kind of tip, using a MoS2 monolayer as the testing sample. Our simulations show that the tip–MoS2 interaction is mediated through weak van der Waals forces. Even on the defective monolayer, the interaction is reduced by one order of magnitude with respect to the values obtained using a highly reactive metallic tip. On the pristine monolayer, the S atoms were imaged for large distances together with the substitutional defects which should be observed as brighter spots in non-contact AFM measurements. This result is in contradiction with previous simulations performed with Cu or Si tips where the metallic defects were imaged for much larger distances than the S atoms. For shorter distances, the Mo sites will be brighter even though a vacancy is formed. On the other hand, the largest conductance value is obtained over the defect formed by two Mo atoms occupying a S divacancy when the half-occupied p y -states of the graphene-like tip find a better coupling with d-orbitals of the highest substitutional atom. Due to the weak interaction, no conductance plateau is formed in any of the sites. A great advantage of this tip lies in the absence of atomic transfer between the tip and the sample leading to a more stable AFM measurement. Finally, and as previously shown, we confirm the atomic resolution in a scanning tunneling microscopy simulation using this graphene-based tip.

J. J. Sakurai Prize for Theoretical Particle Physics Talk: The Boundless Horizons of Supercollider Physics

NASA Astrophysics Data System (ADS)

Quigg, Chris

2011-04-01

The Large Hadron Collider at CERN is moving the experimental frontier of particle physics to the domain of electroweak symmetry breaking, reaching energies around one trillion electron volts for collisions among the basic constituents of matter. We do not know what the new wave of exploration will find, but the discoveries we make and the new puzzles we encounter are certain to change the face of particle physics and echo through neighboring sciences. In this new world, we confidently expect to learn what sets electromagnetism apart from the weak interactions, with profound implications for deceptively simple questions: Why are there atoms? Why chemistry? What makes stable structures possible? A pivotal step will be finding the Higgs boson-or whatever takes its place -and exploring its properties. But we hope for much more. More predictive extensions of the electroweak theory, including dynamical symmetry breaking and supersymmetry, imply new kinds of matter that would be within reach of LHC experiments. We suspect that candidates for the dark matter of the Universe could also await discovery on the TeV scale. The strong interactions may hold their own surprises. As we unravel the riddle of electroweak symmetry breaking, prospects arise for other new insights: into the different forms of matter, the unity of quarks and leptons, and the nature of spacetime. The questions in play all seem linked to one another-and to the kinship of the weak and electromagnetic interactions. I will speak of the evolving dialogue between theory and experiment, highlighting the work before us. Fermilab is operated by the Fermi Research Alliance under contract no. DE-AC02-07CH11359 with the U.S. Department of Energy.

Comparison of weak-wind characteristics across different Surface Types in stable stratification

NASA Astrophysics Data System (ADS)

Freundorfer, Anita; Rehberg, Ingo; Thomas, Christoph

2017-04-01

Atmospheric transport in weak winds and very stable conditions is often characterized by phenomena collectively referred to as submeso motions since their time and spatial scales exceed those of turbulence, but are smaller than synoptic motions. Evidence is mounting that submeso motions invalidate models for turbulent dispersion and diffusion since their physics are not captured by current similarity theories. Typical phenomena in the weak-wind stable boundary layer include meandering motions, quasi two-dimensional pancake-vortices or wavelike motions. These motions may be subject to non-local forcing and sensitive to small topographic undulations. The invalidity of Taylor's hypothesis of frozen turbulence for submeso motions requires the use of sensor networks to provide observations in both time and space domains simultaneously. We present the results from the series of Advanced Resolution Canopy Flow Observations (ARCFLO) experiments using a sensor network consisting of 12 sonic anemometers and 12 thermohygrometers. The objective of ARCFLO was to observe the flow and the turbulent and submeso transport at a high spatial and temporal resolution at 4 different sites in the Pacific Northwest, USA. These sites represented a variable degree of terrain complexity (flat to mountainous) and vegetation architecture (grass to forest, open to dense). In our study, a distinct weak-wind regime was identified for each site using the threshold velocity at which the friction velocity becomes dependent upon the mean horizontal wind speed. Here we used the scalar mean of the wind speed because the friction velocity showed a clearer dependence on the scalar mean compared to the vector mean of the wind velocity. It was found that the critical speed for the weak wind regime is higher in denser vegetation. For an open agricultural area (Botany and Plant Pathology Farm) we found a critical wind speed of v_crit= (0.24±0.05) ms-1 while for a very dense forest (Mary's River Douglas Fir site) with a Leaf Area Index of LAI=9.4 m2m-2, the critical wind speed measures v_crit= (1.0±0.1) ms-1. Further analyses include developing an identification scheme to sample submeso motions using their quasi two-dimensional nature. Once separated from turbulence the properties of submeso motions and the impact of different canopy densities on those motions can be explored. We hypothesize that submeso motions are the main generating mechanism for the locally confined and intermittent turbulence in the weak-wind and stable boundary layers.

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.

O Wave Interactions: Explosive Resonant Triads and Critical Layers.

NASA Astrophysics Data System (ADS)

Mahoney, Daniel J.

This thesis considers the phenomenon of explosive resonant triads in weakly nonlinear, dispersive wave systems. These are nearly linear waves with slowly varying amplitudes which become unbounded in finite time. It is shown that such interactions are much stronger than previously thought. These waves can be thought of as a nonlinear instability, in the sense that a weakly nonlinear perturbation to some system grows to such magnitudes that the behavior of the system is governed by strongly nonlinear effects. This may occur for systems which are linearly or neutrally stable. This is contrasted with previous resolutions of this problem, which treated such perturbations as being large amplitude, nearly linear waves. Analytical and numerical evidence is presented to support these claims. These waves represent a potentially important effect in a variety of physical systems, most notably plasma physics. Attention here is turned to their occurrence in fluid mechanics. Here previous work is extended to include flow systems with continuously varying basic velocities and densities. Many of the problems encountered here will be found to be of a singular nature themselves, and the techniques for analyzing these difficulties will be developed. This will involve the concept of a critical layer in a fluid, a level at which a wave phase speed equals the unperturbed fluid velocity in the direction of propagation. Examples of such waves in this context will be presented. (Copies available exclusively from MIT Libraries, Rm. 14-0551, Cambridge, MA 02139-4307. Ph. 617-253-5668; Fax 617-253 -1690.).

Water as a matrix for life

NASA Technical Reports Server (NTRS)

Pohorille, Andrew

2005-01-01

Life is based on non-covalent interactions. They might be either specific (enzyme-substrate interactions, selective ion transport) or nonspecific (lipid-lipid and lipid-protein interactions needed for membrane integrity, fusion and division). Their strength needs to be properly tuned, and this is mediated by the solvent. If interactions are too weak, there might be undesired response to natural fluctuations of physical and chemical parameters. If they are too strong it could impede kinetics and energetics of cellular processes. Thus, the solvent must allow for balancing these interactions. Physical and chemical properties of solvent provide strong constraints for life. Water exhibits a remarkable trait that it promotes both solvophobic and solvophilic interactions. Solvophobic interactions; related to high dielectric constant of the solvent) are necessary for self-organization of matter whereas solvophilic interactions are needed to ensure solubility of polar species. Water offers a large temperature domain of stable liquid and the characteristics hydrophobic effects are a consequence of the temperature in sensitivity of essential properties of its liquid state. Water, however, is not the only liquid with these favorable properties. I will compare in detail properties of water and other pure liquids or their mixtures that have a high dielectric constant and simultaneously support self-organization. I will also discuss properties of water that are unfavorable to life (e.g. its chemical activity against polymerization reactions) and close with summarizing what are alternatives to water as a matrix of life in space.

Dark matter candidates

NASA Technical Reports Server (NTRS)

Turner, Michael S.

1989-01-01

The types of particles which may provide the nonluminous mass required by big-bang cosmological models are listed and briefly characterized. The observational evidence for the existence of dark matter (outweighing the luminous component by at least a factor of 10) is reviewed; the theoretical arguments favoring mainly nonbaryonic dark matter are summarized; and particular attention is given to weakly interacting massive particles (WIMPs) remaining as relics from the early universe. The WIMPs are classified as thermal relics (heavy stable neutrinos and lighter neutralinos), asymmetric relics (including baryons), nonthermal relics (superheavy magnetic monopoles, axions, and soliton stars), and truly exotic relics (relativistic debris or vacuum energy). Explanations for the current apparent baryon/exotica ratio of about 0.1 in different theoretical scenarios are considered, and the problems of experimental and/or observational dark-matter detection are examined.

Two novel FeII-oxalate architectures: Solvent-free synthesis, structures, thermal and magnetic studies

NASA Astrophysics Data System (ADS)

Li, Jin-Hua; Liu, Hui; Wei, Li; Wang, Guo-Ming

2015-10-01

Two novel FeII-oxalate framework with the formulas of [NH4][FeIILi3(C2O4)3] (1) and [NH4]2[FeII(C2O4)2]·H2O (2) have been prepared by an oxalic acid flux approach and structurally characterized by IR, elemental analysis, thermogravimetric analysis, single-crystal and powder X-ray diffraction. Heterometallic compound 1 displays a three-dimensional (3D) framework with a pto topology, while homometallic compound 2 features a pillar-layer architecture with a hms topology. Thermal analysis indicates that the two compounds can be stable up to 300 °C and 200 °C, respectively. Magnetic investigations suggest that the FeII ions in 1 and 2 exhibit weak magnetic exchange interactions.

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.

Development of Phase-Stable Photon Upconverters for Efficient Solar Energy Utilization

NASA Astrophysics Data System (ADS)

Murakami, Yoichi

Photon upconversion based on triplet-triplet annihilation (TTA) of excited triplet molecules is drawing attention due to its applicability for weak incident light, possessing a potential for improving efficiencies of solar energy conversion devices. Since energy transfer between triplet levels of different molecules and TTA are based on the Dexter mechanism, inter-molecular collision is necessary and hence the majority of previous studies have been done with organic solvents, which are volatile and flammable. This paper presents the development and characterization of phase-stable photon upconverters fabricated with ionic liquids, which are room temperature molten salts with negligible vapor pressure and high thermal stability. The employed aromatic molecules, which are carrier of photo-created energies and are non-polar (or weakly polar) molecules, are found to be stable in the polar environment of ionic liquids, contrary to expectation. The mechanism of the stable solvation is proposed. The upconversion quantum yields are found to rapidly saturate as the excitation light power increases. An analytical model was developed and compared with the experimental data. It is shown that ionic liquids are not viscous media for the purpose of TTA-based upconversion.

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.

Weakly self-reactive T-cell clones can homeostatically expand when present at low numbers.

PubMed

Vrisekoop, Nienke; Artusa, Patricio; Monteiro, Joao P; Mandl, Judith N

2017-01-01

T-cell division is central to maintaining a stable T-cell pool in adults. It also enables T-cell expansion in neonates, and after depletion by chemotherapy, bone marrow transplantation, or infection. The same signals required for T-cell survival in lymphoreplete settings, IL-7 and T-cell receptor (TCR) interactions with self-peptide MHC (pMHC), induce division when T-cell numbers are low. The strength of reactivity for self-pMHC has been shown to correlate with the capacity of T cells to undergo lymphopenia-induced proliferation (LIP), in that weakly self-reactive T cells are unable to divide, implying that T-cell reconstitution would significantly skew the TCR repertoire toward TCRs with greater self-reactivity and thus compromise T-cell diversity. Here, we show that while CD4 + T cells with low self-pMHC reactivity experience more intense competition, they are able to divide when present at low enough cell numbers. Thus, at physiological precursor frequencies CD4 + T cells with low self-pMHC reactivity are able to contribute to the reconstitution of the T-cell pool. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Three species one-dimensional kinetic model for weakly ionized plasmas

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

Gonzalez, J., E-mail: jorge.gonzalez@upm.es; Donoso, J. M.; Tierno, S. P.

2016-06-15

A three species one-dimensional kinetic model is presented for a spatially homogeneous weakly ionized plasma subjected to the action of a time varying electric field. Planar geometry is assumed, which means that the plasma evolves in the privileged direction of the field. The energy transmitted to the electric charges is channelized to the neutrals thanks to collisions, a mechanism that influences the plasma dynamics. Charge-charge interactions have been designed as a one-dimensional collision term equivalent to the Landau operator used for fully ionized plasmas. Charge-neutral collisions are modelled by a conservative drift-diffusion operator in the Dougherty's form. The resulting setmore » of coupled integro-differential equations is solved with the stable and robust propagator integral method. This semi–analytical method feasibility accounts for non–linear effects without appealing to linearisation or simplifications, providing conservative physically meaningful solutions even for initial or emerging sharp velocity distribution function profiles. It is found that charge-neutral collisions exert a significant effect since a quite different plasma evolution arises if compared to the collisionless limit. In addition, substantial differences in the system motion are found for constant and temperature dependent collision frequencies cases.« less

Investigation of the long-lived saturated internal mode and its control on the HL-2A tokamak

NASA Astrophysics Data System (ADS)

Wei, Deng; Yi, Liu; Xian-Qu, Wang; Wei, Chen; Yun-Bo, Dong; Ohdachi, S.; Xiao-Quan, Ji; Yong, Shen; Jian-Yong, Cao; Jun, Zhou; Bei-Bing, Feng; Yong-Gao, Li; Xian-Li, Huang; Jin-Ming, Gao; Xiao-Yu, Han; Mei, Huang; Xiao-Gang, Wang

2014-01-01

HL-2A plasmas heated by neutral beam injection (NBI) regularly exhibit n = 1 long-lived saturated magnetohydrodynamic instabilities. A reduction in the electron density and plasma stored energy and an increase in fast ion losses are usually observed in the presence of such perturbations. The observed long-lived saturated internal mode (LLM) occurs when the safety factor profile has a weak shear in a broad range of the plasma centre with qmin around unity. It is found that the ideal interchange mode can become marginally stable due to the weak magnetic shear reaching a critical value. The LLM, due to its pressure-driven feature, is destabilized by the strong interaction with fast ions in the low-shear region during the NBI. Furthermore, for the first time it is clearly observed that the LLMs can be suppressed by electron cyclotron resonant heating (ECRH), or by supersonic molecular beam injection in HL-2A plasmas. Low-n sidebands observed during the LLM are also suppressed by increasing the ECRH power. The control of LLMs is due to the change in the magnetic shear or in the pressure profile induced by the local heating or fuelling.

Full superconducting dome of strong Ising protection in gated monolayer WS2.

PubMed

Lu, Jianming; Zheliuk, Oleksandr; Chen, Qihong; Leermakers, Inge; Hussey, Nigel E; Zeitler, Uli; Ye, Jianting

2018-04-03

Many recent studies show that superconductivity not only exists in atomically thin monolayers but can exhibit enhanced properties such as a higher transition temperature and a stronger critical field. Nevertheless, besides being unstable in air, the weak tunability in these intrinsically metallic monolayers has limited the exploration of monolayer superconductivity, hindering their potential in electronic applications (e.g., superconductor-semiconductor hybrid devices). Here we show that using field effect gating, we can induce superconductivity in monolayer WS 2 grown by chemical vapor deposition, a typical ambient-stable semiconducting transition metal dichalcogenide (TMD), and we are able to access a complete set of competing electronic phases over an unprecedented doping range from band insulator, superconductor, to a reentrant insulator at high doping. Throughout the superconducting dome, the Cooper pair spin is pinned by a strong internal spin-orbit interaction, making this material arguably the most resilient superconductor in the external magnetic field. The reentrant insulating state at positive high gating voltages is attributed to localization induced by the characteristically weak screening of the monolayer, providing insight into many dome-like superconducting phases observed in field-induced quasi-2D superconductors.

Opinion formation models in static and dynamic social networks

NASA Astrophysics Data System (ADS)

Singh, Pramesh

We study models of opinion formation on static as well as dynamic networks where interaction among individuals is governed by widely accepted social theories. In particular, three models of competing opinions based on distinct interaction mechanisms are studied. A common feature in all of these models is the existence of a tipping point in terms of a model parameter beyond which a rapid consensus is reached. In the first model that we study on a static network, a node adopts a particular state (opinion) if a threshold fraction of its neighbors are already in that state. We introduce a few initiator nodes which are in state '1' in a population where every node is in state '0'. Thus, opinion '1' spreads through the population until no further influence is possible. Size of the spread is greatly affected by how these initiator nodes are selected. We find that there exists a critical fraction of initiators pc that is needed to trigger global cascades for a given threshold phi. We also study heuristic strategies for selecting a set of initiator nodes in order to maximize the cascade size. The structural properties of networks also play an important role in the spreading process. We study how the dynamics is affected by changing the clustering in a network. It turns out that local clustering is helpful in spreading. Next, we studied a model where the network is dynamic and interactions are homophilic. We find that homophily-driven rewiring impedes the reaching of consensus and in the absence of committed nodes (nodes that are not influenceable on their opinion), consensus time Tc diverges exponentially with network size N . As we introduce a fraction of committed nodes, beyond a critical value, the scaling of Tc becomes logarithmic in N. We also find that slight change in the interaction rule can produce strikingly different scaling behaviors of T c . However, introducing committed agents in the system drastically improves the scaling of the consensus time regardless of the interaction rules considered. Finally, a three-state (leftist, rightist, centrist) model that couples the dynamics of social balance with an external deradicalizing field is studied. The mean-field analysis shows that for a weak external field, the system exhibits a metastable fixed point and a saddle point in addition to a stable fixed point. However, if the strength of the external field is sufficiently large (larger than a critical value), there is only one (stable) fixed point which corresponds to an all-centrist consensus state (absorbing state). In the weak-field regime, the convergence time to the absorbing state is evaluated using the quasi-stationary(QS) distribution and is found to be in good agreement with the results obtained by numerical simulations.

Light scattering evidence of selective protein fouling on biocompatible block copolymer micelles

NASA Astrophysics Data System (ADS)

Giacomelli, Fernando C.; Stepánek, Petr; Schmidt, Vanessa; Jäger, Eliézer; Jäger, Alessandro; Giacomelli, Cristiano

2012-07-01

Selective protein fouling on block copolymer micelles with well-known potential for tumour-targeting drug delivery was evidenced by using dynamic light scattering measurements. The stability and interaction of block copolymer micelles with model proteins (BSA, IgG, lysozyme and CytC) is reported for systems featuring a hydrophobic (poly[2-(diisopropylamino)-ethyl methacrylate]) (PDPA) core and hydrophilic coronas comprising poly(ethylene oxide)/poly(glycerol monomethacrylate) (PEO-b-PG2MA) or poly[2-(methacryloyloxy)ethyl phosphorylcholine] (PMPC). The results revealed that protein size and hydrophilic chain density play important roles in the observed interactions. The PEO113-b-PG2MA30-b-PDPA50 nanoparticles are stable and protein adsorption is prevented at all investigated protein environments. The successful protein-repellent characteristic of these nanoparticles is attributed to a high hydrophilic surface chain density (>0.1 chains per nm2) and to the length of the hydrophilic chains. On the other hand, although PMPC also has protein-repellent characteristics, the low surface chain density of the hydrophilic shell is supposed to enable interactions with small proteins. The PMPC40-b-PDPA70 micelles are stable in BSA and IgG environments due to weak repulsion forces between PMPC and the proteins, to the hydration layer, and particularly to a size-effect where the large BSA (RH = 4.2 nm) and IgG (RH = 7.0 nm) do not easily diffuse within the PMPC shell. Conversely, a clear interaction was observed with the 2.1 nm radius lysozyme. The lysozyme protein can diffuse within the PMPC micellar shell towards the PDPA hydrophobic core in a process favored by its smaller size and the low hydrophilic PMPC surface chain density (~0.049 chains per nm2) as compared to PEO-b-PG2MA (~0.110 chains per nm2). The same behavior was not evidenced with the 2.3 nm radius positively charged CytC, probably due to its higher surface hydrophilicity and the consequent chemical incompatibility with PDPA.Selective protein fouling on block copolymer micelles with well-known potential for tumour-targeting drug delivery was evidenced by using dynamic light scattering measurements. The stability and interaction of block copolymer micelles with model proteins (BSA, IgG, lysozyme and CytC) is reported for systems featuring a hydrophobic (poly[2-(diisopropylamino)-ethyl methacrylate]) (PDPA) core and hydrophilic coronas comprising poly(ethylene oxide)/poly(glycerol monomethacrylate) (PEO-b-PG2MA) or poly[2-(methacryloyloxy)ethyl phosphorylcholine] (PMPC). The results revealed that protein size and hydrophilic chain density play important roles in the observed interactions. The PEO113-b-PG2MA30-b-PDPA50 nanoparticles are stable and protein adsorption is prevented at all investigated protein environments. The successful protein-repellent characteristic of these nanoparticles is attributed to a high hydrophilic surface chain density (>0.1 chains per nm2) and to the length of the hydrophilic chains. On the other hand, although PMPC also has protein-repellent characteristics, the low surface chain density of the hydrophilic shell is supposed to enable interactions with small proteins. The PMPC40-b-PDPA70 micelles are stable in BSA and IgG environments due to weak repulsion forces between PMPC and the proteins, to the hydration layer, and particularly to a size-effect where the large BSA (RH = 4.2 nm) and IgG (RH = 7.0 nm) do not easily diffuse within the PMPC shell. Conversely, a clear interaction was observed with the 2.1 nm radius lysozyme. The lysozyme protein can diffuse within the PMPC micellar shell towards the PDPA hydrophobic core in a process favored by its smaller size and the low hydrophilic PMPC surface chain density (~0.049 chains per nm2) as compared to PEO-b-PG2MA (~0.110 chains per nm2). The same behavior was not evidenced with the 2.3 nm radius positively charged CytC, probably due to its higher surface hydrophilicity and the consequent chemical incompatibility with PDPA. Electronic supplementary information (ESI) available. See DOI: 10.1039/c2nr30623a

An optimized full-configuration-interaction nuclear orbital approach to a ``hard-core'' interaction problem: Application to (3He)N-Cl2(B) clusters (N<=4)

NASA Astrophysics Data System (ADS)

de Lara-Castells, M. P.; Villarreal, P.; Delgado-Barrio, G.; Mitrushchenkov, A. O.

2009-11-01

An efficient full-configuration-interaction nuclear orbital treatment has been recently developed as a benchmark quantum-chemistry-like method to calculate ground and excited "solvent" energies and wave functions in small doped ΔEest clusters (N ≤4) [M. P. de Lara-Castells, G. Delgado-Barrio, P. Villarreal, and A. O. Mitrushchenkov, J. Chem. Phys. 125, 221101 (2006)]. Additional methodological and computational details of the implementation, which uses an iterative Jacobi-Davidson diagonalization algorithm to properly address the inherent "hard-core" He-He interaction problem, are described here. The convergence of total energies, average pair He-He interaction energies, and relevant one- and two-body properties upon increasing the angular part of the one-particle basis set (expanded in spherical harmonics) has been analyzed, considering Cl2 as the dopant and a semiempirical model (T-shaped) He-Cl2(B) potential. Converged results are used to analyze global energetic and structural aspects as well as the configuration makeup of the wave functions, associated with the ground and low-lying "solvent" excited states. Our study reveals that besides the fermionic nature of H3e atoms, key roles in determining total binding energies and wave-function structures are played by the strong repulsive core of the He-He potential as well as its very weak attractive region, the most stable arrangement somehow departing from the one of N He atoms equally spaced on equatorial "ring" around the dopant. The present results for N =4 fermions indicates the structural "pairing" of two H3e atoms at opposite sides on a broad "belt" around the dopant, executing a sort of asymmetric umbrella motion. This pairing is a compromise between maximizing the H3e-H3e and the He-dopant attractions, and suppressing at the same time the "hard-core" repulsion. Although the He-He attractive interaction is rather weak, its contribution to the total energy is found to scale as a power of three and it thus increasingly affects the pair density distributions as the cluster grows in size.

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

Molecular Dynamics Simulations of Adsorption of Poly(acrylic acid) and Poly(methacrylic acid) on Dodecyltrimethylammonium Chloride Micelle in Water: Effect of Charge Density.

PubMed

Sulatha, Muralidharan S; Natarajan, Upendra

2015-09-24

We have investigated the interaction of dodecyltrimethylammonium chloride (DoTA) micelle with weak polyelectrolytes, poly(acrylic acid) and poly(methacrylic acid). Anionic as well as un-ionized forms of the polyelectrolytes were studied. Polyelectrolyte-surfactant complexes were formed within 5-11 ns of the simulation time and were found to be stable. Association is driven purely by electrostatic interactions for anionic chains whereas dispersion interactions also play a dominant role in the case of un-ionized chains. Surfactant headgroup nitrogen atoms are in close contact with the carboxylic oxygens of the polyelectrolyte chain at a distance of 0.35 nm. In the complexes, the polyelectrolyte chains are adsorbed on to the hydrophilic micellar surface and do not penetrate into the hydrophobic core of the micelle. Polyacrylate chain shows higher affinity for complex formation with DoTA as compared to polymethacrylate chain. Anionic polyelectrolyte chains show higher interaction strength as compared to corresponding un-ionized chains. Anionic chains act as polymeric counterion in the complexes, resulting in the displacement of counterions (Na(+) and Cl(-)) into the bulk solution. Anionic chains show distinct shrinkage upon adsorption onto the micelle. Detailed information about the microscopic structure and binding characteristics of these complexes is in agreement with available experimental literature.

A note on libration point orbits, temporary capture and low-energy transfers

NASA Astrophysics Data System (ADS)

Fantino, E.; Gómez, G.; Masdemont, J. J.; Ren, Y.

2010-11-01

In the circular restricted three-body problem (CR3BP) the weak stability boundary (WSB) is defined as a boundary set in the phase space between stable and unstable motion relative to the second primary. At a given energy level, the boundaries of such region are provided by the stable manifolds of the central objects of the L1 and L2 libration points, i.e., the two planar Lyapunov orbits. Besides, the unstable manifolds of libration point orbits (LPOs) around L1 and L2 have been identified as responsible for the weak or temporary capture around the second primary of the system. These two issues suggest the existence of natural dynamical channels between the Earth's vicinity and the Sun-Earth libration points L1 and L2. Furthermore, it has been shown that the Sun-Earth L2 central unstable manifolds can be linked, through an heteroclinic connection, to the central stable manifolds of the L2 point in the Earth-Moon three-body problem. This concept has been applied to the design of low energy transfers (LETs) from the Earth to the Moon. In this contribution we consider all the above three issues, i.e., weak stability boundaries, temporary capture and low energy transfers, and we discuss the role played by the invariant manifolds of LPOs in each of them. The study is made in the planar approximation.

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

Rose, Brian E. J.; Cronin, Timothy W.; Bitz, Cecilia M., E-mail: brose@albany.edu

Planetary obliquity determines the meridional distribution of the annual mean insolation. For obliquity exceeding 55°, the weakest insolation occurs at the equator. Stable partial snow and ice cover on such a planet would be in the form of a belt about the equator rather than polar caps. An analytical model of planetary climate is used to investigate the stability of ice caps and ice belts over the widest possible range of parameters. The model is a non-dimensional diffusive Energy Balance Model, representing insolation, heat transport, and ice−albedo feedback on a spherical planet. A complete analytical solution for any obliquity ismore » given and validated against numerical solutions of a seasonal model in the “deep-water” regime of weak seasonal ice line migration. Multiple equilibria and unstable transitions between climate states (ice-free, Snowball, or ice cap/belt) are found over wide swaths of parameter space, including a “Large Ice-Belt Instability” and “Small Ice-Belt Instability” at high obliquity. The Snowball catastrophe is avoided at weak radiative forcing in two different scenarios: weak albedo feedback and inefficient heat transport (favoring stable partial ice cover), or efficient transport at high obliquity (favoring ice-free conditions). From speculative assumptions about distributions of planetary parameters, three-fourths to four-fifths of all planets with stable partial ice cover should be in the form of Earth-like polar caps.« less

High Molecular Weight Forms of Mammalian Respiratory Chain Complex II

PubMed Central

Nůsková, Hana; Holzerová, Eliška; Vrbacký, Marek; Pecina, Petr; Hejzlarová, Kateřina; Kľučková, Katarína; Rohlena, Jakub; Neuzil, Jiri; Houštěk, Josef

2013-01-01

Mitochondrial respiratory chain is organised into supramolecular structures that can be preserved in mild detergent solubilisates and resolved by native electrophoretic systems. Supercomplexes of respiratory complexes I, III and IV as well as multimeric forms of ATP synthase are well established. However, the involvement of complex II, linking respiratory chain with tricarboxylic acid cycle, in mitochondrial supercomplexes is questionable. Here we show that digitonin-solubilised complex II quantitatively forms high molecular weight structures (CIIhmw) that can be resolved by clear native electrophoresis. CIIhmw structures are enzymatically active and differ in electrophoretic mobility between tissues (500 – over 1000 kDa) and cultured cells (400–670 kDa). While their formation is unaffected by isolated defects in other respiratory chain complexes, they are destabilised in mtDNA-depleted, rho0 cells. Molecular interactions responsible for the assembly of CIIhmw are rather weak with the complexes being more stable in tissues than in cultured cells. While electrophoretic studies and immunoprecipitation experiments of CIIhmw do not indicate specific interactions with the respiratory chain complexes I, III or IV or enzymes of the tricarboxylic acid cycle, they point out to a specific interaction between CII and ATP synthase. PMID:23967256

An in vivo library-versus-library selection of optimized protein-protein interactions.

PubMed

Pelletier, J N; Arndt, K M; Plückthun, A; Michnick, S W

1999-07-01

We describe a rapid and efficient in vivo library-versus-library screening strategy for identifying optimally interacting pairs of heterodimerizing polypeptides. Two leucine zipper libraries, semi-randomized at the positions adjacent to the hydrophobic core, were genetically fused to either one of two designed fragments of the enzyme murine dihydrofolate reductase (mDHFR), and cotransformed into Escherichia coli. Interaction between the library polypeptides reconstituted enzymatic activity of mDHFR, allowing bacterial growth. Analysis of the resulting colonies revealed important biases in the zipper sequences relative to the original libraries, which are consistent with selection for stable, heterodimerizing pairs. Using more weakly associating mDHFR fragments, we increased the stringency of selection. We enriched the best-performing leucine zipper pairs by multiple passaging of the pooled, selected colonies in liquid culture, as the best pairs allowed for better bacterial propagation. This competitive growth allowed small differences among the pairs to be amplified, and different sequence positions were enriched at different rates. We applied these selection processes to a library-versus-library sample of 2.0 x 10(6) combinations and selected a novel leucine zipper pair that may be appropriate for use in further in vivo heterodimerization strategies.

The Free Jet Microwave Spectrum of 2-PHENYLETHYLAMINE-WATER

NASA Astrophysics Data System (ADS)

Melandri, Sonia; Giuliano, B. Michela; Maris, Assimo; Caminati, Walther

2009-06-01

2-Phenylethylamine (PEA) is the parent structure for a variety of important compounds including dopamine, tyrosine, anphetamine and adrenaline. Due to the flexibility of the side chain, the conformational hypersurface of the isolated molecule contains several minima at relatively low energy. The conformational surface was studied by various spectroscopic and theoretical techniques and four of the five stable conformers were detected. The most stable conformers observed in isolated conditions are those in which the methylene side chain is folded into a gauche structure and the amino hydrogen is oriented towards the aromatic ring to form a weakly hydrogen bonded structure, while in the less stable conformers the amino group is in the anti position, thus the energy difference between the gauche and anti conformers (ca 4 kJ mol^{-1}) represents the energy associated with this weak interaction. Since bioactive molecules can be found in different environments including aqueous media and rotational spectroscopy coupled with high level ab initio calculations gives the most detailed structural picture, we studied the free jet microwave spectrum of the adducts formed between PEA and water in the region 60-78 GHz. The dominant spectrum is that of the 1:1 adduct of PEA and water where PEA is in its most stable gauche conformation and the water molecole is bound to the nitrogen lone pair. The orientation of the water molecole is such that the oxygen atom is closest (ca 2.5 Å) and equidistant from the ring and chain hydrogen atoms. The experimental data were complemented by ab initio calculations at the MP2/6311++G** level of theory; several stable conformations of the PEA-W have been characterized and the observed structure corresponds to the global minimum. The bonding of water seems to affect only slightly the structure of isolated PEA and the main structural parameters of the flexible amino side chain remain basically unaltered. Some lines still remain unassigned in the spectrum and we are hoping to assign them to a second conformational species of PEA-W. (a) S. J. Martinez, J. C. Alfano and D. H. Levy J. Mol. Struct. 158 82 1993. (b)P. D. Godfrey,L. D. Hatherley and R. D. Brown J. Am. Chem. Soc. 117 8204 1995. (c)S. Sun and E. R. Bernstein J. Am. Chem. Soc. 118 5086 1996. (d) J. A. Dickinson, M. R. Hockridge, R. T. Kroemer, E. G. Robertson, J. P. Simons, J. McCombie and M. Walker J. Am. Chem. Soc. 120 2622 1998. (e) J. C. Lopez, V. Cortijo, S. Blanco and J. Alonso PCCP 9 4521 2007.

A simulation study of sperm motility hydrodynamics near fish eggs and spheres.

PubMed

Ishimoto, Kenta; Cosson, Jacky; Gaffney, Eamonn A

2016-01-21

For teleost fish fertilisation, sperm must proceed through a small opening on the egg surface, referred to as the micropyle. In this paper, we have used boundary element simulations to explore whether the hydrodynamic attraction between sperm and a fish egg can be a sperm guidance cue. Hydrodynamical egg-sperm interactions alone do not increase the chances of an egg encounter, nor do they induce surface swimming for virtual turbot fish sperm across smooth spheres with a diameter of 1mm, which is representative of a turbot fish egg. When a repulsive surface force between the virtual turbot sperm and the egg is introduced, as motivated by surface charge and van-der-Waals interactions for instance, we find that extended surface swimming of the virtual sperm across a model turbot egg occurs, but ultimately the sperm escapes from the egg. This is due to the small exit angle of the scattering associated with the initial sperm-egg interaction at the egg surface, leading to a weak drift away from the egg, in combination with a weak hydrodynamical attraction between both gametes, though the latter is not sufficient to prevent eventual escape. The resulting transience is not observed experimentally but is a detailed quantitative difference between theory and observation in that stable surface swimming is predicted for eggs with radii larger than about 1.8mm. Regardless, the extended sperm swimming trajectory across the egg constitutes a two-dimensional search for the micropyle and thus the egg is consistently predicted to provide a guidance cue for sperm once they are sufficiently close. In addition, the observation that the virtual turbot sperm swims stably next to a flat plane given repulsive surface interactions, but does not swim stably adjacent to a turbot-sized egg, which is extremely large by sperm-lengthscales, also highlights that the stability of sperm swimming near a boundary is very sensitive to geometry. Copyright © 2015 Elsevier Ltd. All rights reserved.

Models of magnetic field generation in partly stable planetary cores: Applications to Mercury and Saturn

NASA Astrophysics Data System (ADS)

Christensen, Ulrich R.; Wicht, Johannes

2008-07-01

A substantial part of Mercury's iron core may be stably stratified because the temperature gradient is subadiabatic. A dynamo would operate only in a deep sublayer. We show that such a situation arises for a wide range of values for the heat flow and the sulfur content in the core. In Saturn the upper part of the metallic hydrogen core could be stably stratified because of helium depletion. The magnetic field is unusually weak in the case of Mercury and unusually axisymmetric at Saturn. We study numerical dynamo models in rotating spherical shells with a stable outer region. The control parameters are chosen such that the magnetic Reynolds number is in the range of expected Mercury values. Because of its slow rotation, Mercury may be in a regime where the dipole contribution to the internal magnetic field is weak. Most of our models are in this regime, where the dynamo field consists mainly of rapidly varying higher multipole components. They can hardly pass the stable conducting layer because of the skin effect. The weak low-degree components vary more slowly and control the structure of the field outside the core, whose strength matches the observed field strength at Mercury. In some models the axial dipole dominates at the planet's surface and in others the axial quadrupole is dominant. Differential rotation in the stable layer, representing a thermal wind, is important for attenuating non-axisymmetric components in the exterior field. In some models that we relate to Saturn the axial dipole is intrinsically strong inside the dynamo. The surface field strength is much larger than in the other cases, but the stable layer eliminates non-axisymmetric modes. The Messenger and Bepi Colombo space missions can test our predictions that Mercury's field is large-scaled, fairly axisymmetric, and shows no secular variations on the decadal time scale.

Structural insights, protein-ligand interactions and spectroscopic characterization of isoformononetin

NASA Astrophysics Data System (ADS)

Srivastava, Anubha; Singh, Harshita; Mishra, Rashmi; Dev, Kapil; Tandon, Poonam; Maurya, Rakesh

2017-04-01

Isoformononetin, a methoxylated isoflavone present in medicinal plants, has non-estrogenic bone forming effect via differential mitogen-activated protein kinase (MAPK) signaling. Spectroscopic (FT-Raman, FT-IR, UV-vis and NMR spectra) and quantum chemical calculations using density functional theory (DFT) and 6-311++G(d,p) as a large basis set have been employed to study the structural and electronic properties of isoformononetin. A detailed conformational analysis is performed to determine the stability among conformers and the various possibilities of intramolecular hydrogen bonding formation. Molecular docking studies with different protein kinases were performed on isoformononetin and previously studied isoflavonoid, formononetin in order to understand their inhibitory nature and the effect of functional groups on osteogenic or osteoporosis associated proteins. It is found that the oxygen atoms of methoxy, hydroxyl groups attached to phenyl rings R1, R3 and carbonyl group attached to pyran ring R2, play a major role in binding with the protein kinases that is responsible for the osteoporosis; however, no hydrophobic interactions are observed between rings of ligand and protein. The electronic properties such as HOMO and LUMO energies were determined by time-dependent TD-DFT which predict that conformer II is a little bit more stable and chemically low reactive than conformer I of isoformononetin. To estimate the structure-activity relationship, the molecular electrostatic potential (MEP) surface map, and reactivity descriptors are calculated from the optimized geometry of the molecule. From these results, it is also found that isoformononetin is kinetically more stable, less toxic, weak electrophile and chemically less reactive than formononetin. The atoms in molecules and natural bond orbital analysis are applied for the detailed analysis of intra and intermolecular hydrogen bonding interactions.

Two-dimensional solitons in dipolar Bose-Einstein condensates with spin-orbit coupling

NASA Astrophysics Data System (ADS)

Jiang, Xunda; Fan, Zhiwei; Chen, Zhaopin; Pang, Wei; Li, Yongyao; Malomed, Boris A.

2016-02-01

We report families of two-dimensional (2D) composite solitons in spinor dipolar Bose-Einstein condensates, with two localized components linearly mixed by the spin-orbit coupling (SOC), and the intrinsic nonlinearity represented by the dipole-dipole interaction (DDI) between atomic magnetic moments polarized in plane by an external magnetic field. Recently, stable solitons were predicted in the form of semivortices (composites built of coupled fundamental and vortical components) in the 2D system combining the SOC and contact attractive interactions. Replacing the latter by the anisotropic long-range DDI, we demonstrate that, for a fixed norm of the soliton, the system supports a continuous family of stable spatially asymmetric vortex solitons (AVSs), parameterized by an offset of the pivot of the vortical component relative to its fundamental counterpart. The offset is limited by a certain maximum value, while the energy of the AVS practically does not depend on the offset. At small values of the norm, the vortex solitons are subject to a weak oscillatory instability. In the present system, with the Galilean invariance broken by the SOC, the composite solitons are set in motion by a kick the strength of which exceeds a certain depinning value. The kicked solitons feature a negative effective mass, drifting along a spiral trajectory opposite to the direction of the kick. A critical angular velocity, up to which the semivortices may follow rotation of the polarizing magnetic field, is found too.

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.

General two-species interacting Lotka-Volterra system: Population dynamics and wave propagation

NASA Astrophysics Data System (ADS)

Zhu, Haoqi; Wang, Mao-Xiang; Lai, Pik-Yin

2018-05-01

The population dynamics of two interacting species modeled by the Lotka-Volterra (LV) model with general parameters that can promote or suppress the other species is studied. It is found that the properties of the two species' isoclines determine the interaction of species, leading to six regimes in the phase diagram of interspecies interaction; i.e., there are six different interspecific relationships described by the LV model. Four regimes allow for nontrivial species coexistence, among which it is found that three of them are stable, namely, weak competition, mutualism, and predator-prey scenarios can lead to win-win coexistence situations. The Lyapunov function for general nontrivial two-species coexistence is also constructed. Furthermore, in the presence of spatial diffusion of the species, the dynamics can lead to steady wavefront propagation and can alter the population map. Propagating wavefront solutions in one dimension are investigated analytically and by numerical solutions. The steady wavefront speeds are obtained analytically via nonlinear dynamics analysis and verified by numerical solutions. In addition to the inter- and intraspecific interaction parameters, the intrinsic speed parameters of each species play a decisive role in species populations and wave properties. In some regimes, both species can copropagate with the same wave speeds in a finite range of parameters. Our results are further discussed in the light of possible biological relevance and ecological implications.

Stability of submarine slopes in the northern South China Sea: a numerical approach

NASA Astrophysics Data System (ADS)

Zhang, Liang; Luan, Xiwu

2013-01-01

Submarine landslides occur frequently on most continental margins. They are effective mechanisms of sediment transfer but also a geological hazard to seafloor installations. In this paper, submarine slope stability is evaluated using a 2D limit equilibrium method. Considerations of slope, sediment, and triggering force on the factor of safety (FOS) were calculated in drained and undrained ( Φ=0) cases. Results show that submarine slopes are stable when the slope is <16° under static conditions and without a weak interlayer. With a weak interlayer, slopes are stable at <18° in the drained case and at <9° in the undrained case. Earthquake loading can drastically reduce the shear strength of sediment with increased pore water pressure. The slope became unstable at >13° with earthquake peak ground acceleration (PGA) of 0.5 g; whereas with a weak layer, a PGA of 0.2 g could trigger instability at slopes >10°, and >3° for PGA of 0.5 g. The northern slope of the South China Sea is geomorphologically stable under static conditions. However, because of the possibility of high PGA at the eastern margin of the South China Sea, submarine slides are likely on the Taiwan Bank slope and eastern part of the Dongsha slope. Therefore, submarine slides recognized in seismic profiles on the Taiwan Bank slope would be triggered by an earthquake, the most important factor for triggering submarine slides on the northern slope of the South China Sea. Considering the distribution of PGA, we consider the northern slope of the South China Sea to be stable, excluding the Taiwan Bank slope, which is tectonically active.

Performance Analysis of Local Ensemble Kalman Filter

NASA Astrophysics Data System (ADS)

Tong, Xin T.

2018-03-01

Ensemble Kalman filter (EnKF) is an important data assimilation method for high-dimensional geophysical systems. Efficient implementation of EnKF in practice often involves the localization technique, which updates each component using only information within a local radius. This paper rigorously analyzes the local EnKF (LEnKF) for linear systems and shows that the filter error can be dominated by the ensemble covariance, as long as (1) the sample size exceeds the logarithmic of state dimension and a constant that depends only on the local radius; (2) the forecast covariance matrix admits a stable localized structure. In particular, this indicates that with small system and observation noises, the filter error will be accurate in long time even if the initialization is not. The analysis also reveals an intrinsic inconsistency caused by the localization technique, and a stable localized structure is necessary to control this inconsistency. While this structure is usually taken for granted for the operation of LEnKF, it can also be rigorously proved for linear systems with sparse local observations and weak local interactions. These theoretical results are also validated by numerical implementation of LEnKF on a simple stochastic turbulence in two dynamical regimes.

Group 4 transition metal CH2=MF2, CHF=MF2, and HC/MF3 complexes formed by C-F activation and alpha-fluorine transfer.

PubMed

Lyon, Jonathan T; Andrews, Lester

2007-06-11

Group 4 transition metal methylidene difluoride complexes (CH2=MF2) are formed by the reaction of methylene fluoride with laser-ablated metal atoms and are isolated in an argon matrix. Isotopic substitution of the CH2F2 precursor and theoretical computations (B3LYP and CCSD) confirm product identifications and assignments. Our calculations indicate that the CH2=MF2 complexes have near C2v symmetry and are considerably more stable than other possible products (CH2(mu-F)MF and CHF=MHF). The primary reaction exothermicity provides more than enough energy to activate the initial bridge-bonded CH2(mu-F)MF products on the triplet potential energy surface to complete an alpha-F transfer to form the very stable CH2=MF2 products. Analogous experiments with CHF3 produce CHF=TiF2, which is not distorted at the C-H bond, whereas the heavier group 4 metals form lower-energy triplet HC/MF3 complexes, which contain weak degenerate C(p)-M(d) pi-bonding interactions. Comparisons are made with the CH2=MHF methylidene species, which showed considerable agostic distortions.

Towards a natural theory of electroweak interactions

NASA Astrophysics Data System (ADS)

Dobrescu, Bogdan A.

1998-01-01

I study theories of electroweak symmetry breaking that may describe naturally the electromagnetic and weak interactions of the elementary particles observed so far (quarks, leptons and gauge bosons). These theories should explain why the energy scale at which the electroweak symmetry is spontaneously broken (246 GeV), called the 'electroweak scale', is seventeen orders of magnitude smaller than the 'Planck scale', which is associated with the quantum origin of gravity. I discuss first theories where the electroweak symmetry is broken by the dynamics of new strong interactions, naturally producing the hierarchy between the Planck scale and the electroweak scale. I show that in a realistic class of models of this type, the new gauge bosons needed for generating the mass of the heaviest quark have couplings which require a careful adjustment in order to be compatible with experimental data. In the case where the strong dynamics produces a composite spinless particle ('Higgs boson') whose interactions break the electroweak symmetry, I derive an upper bound of 460 GeV on the Higgs boson mass from experimental constraints on processes sensitive to new physics. I also discuss a different type of theory that explains the hierarchy of energy scales, based on a special symmetry, called supersymmetry, which requires the existence of new particles ('superpartners'). No superpartners have been seen in experiments. Therefore, if they exist, they must have masses larger than the particles known so far, implying that supersymmetry is not exact. In the simplest models, supersymmetry breaking is transmitted to the superpartners by standard gauge interactions. I show that all known models of this type are likely to be unacceptable because they do not admit a stable and phenomenologically viable ground state of the universe ('vacuum'). I then construct modified versions of these models that permit viable stable vacua. Also, I present a new model in which supersymmetry breaking is transmitted to the superpartners by nonstandard gauge interactions, leading to distinctive predictions for the superpartner masses. Finally, I propose a model that combines a mechanism of dynamical electroweak symmetry breaking with supersymmetry, which explains some features of the quark and lepton mass spectrum.

Design of weak link channel-cut crystals for fast QEXAFS monochromators

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

Polheim, O. von, E-mail: vonpolheim@uni-wuppertal.de; Müller, O.; Lützenkirchen-Hecht, D.

2016-07-27

A weak link channel-cut crystal, optimized for dedicated Quick EXAFS monochromators and measurements, was designed using finite element analysis. This channel-cut crystal offers precise detuning capabilities to enable suppression of higher harmonics in the virtually monochromatic beam. It was optimized to keep the detuning stable, withstanding the mechanical load, which occurs during oscillations with up to 50 Hz. First tests at DELTA (Dortmund, Germany), proved the design.

Geology of a Stable Intraplate Region: The Cape Verde/Canary Basin,

DTIC Science & Technology

1982-03-01

reflection records indicate a possible Eocene age up- lifting. Extensive island volcanism and sill and dike emplacement occurred during Miocene. Many abyssal...hills and small scale faults are related to this Miocene tectonic phase. Island volcanism has a con- tinuing influence on the sedimentary sections. The...Plate is capable of generating zones of weak- nesses. These weakness zones could be expected to localize island volcanism , create north/south-trending

Photochemistry and reactivity of the phenyl radical-water system: a matrix isolation and computational study.

PubMed

Mardyukov, Artur; Crespo-Otero, Rachel; Sanchez-Garcia, Elsa; Sander, Wolfram

2010-08-02

The reaction of the phenyl radical 1 with water has been investigated by using matrix isolation spectroscopy and quantum chemical calculations. The primary thermal product of the reaction between 1 and water is a weakly bound complex stabilized by an OH...pi interaction. This complex is photolabile, and visible-light irradiation (lambda>420 nm) results in hydrogen atom transfer from water to radical 1 and the formation of a highly labile complex between benzene and the OH radical. This complex is stable under the conditions of matrix isolation, however, continuous irradiation with lambda>420 nm light results in the complete destruction of the aromatic system and formation of an acylic unsaturated ketene. The mechanisms of all reaction steps are discussed in the light of ab initio and DFT calculations.

A systematical rheological study of polysaccharide from Sophora alopecuroides L. seeds.

PubMed

Wu, Yan; Guo, Rui; Cao, Nannan; Sun, Xiangjun; Sui, Zhongquan; Guo, Qingbin

2018-01-15

The rheological properties of polysaccharide (SAP) from Sophora alopecuroides L. seeds were systematically investigated by fitting different models. The steady flow testing indicated that SAP exhibited shear-thinning behaviors, which were enhanced with increasing concentration and decreasing temperature. This was demonstrated quantitatively by Williamson and Arrhenius models. According to the generalized Morris equation, SAP exhibited random coil conformation with the potential to form weak gel-like network. On the other hand, multiple results of dynamic tests confirmed the viscoelastic properties of SAP, showing oscillatory behaviors between a dilute solution and an elastic gel. Furthermore, SAP solutions were thermorheologically stable without remarkable energetic interactions or structural heterogeneity, since their rheological patterns were successfully applied to Time-temperature superposition (TTS) principle, modified Cole-Cole analysis and Cox-Merz rule. Copyright © 2017 Elsevier Ltd. All rights reserved.

Generation of large-scale intrusions at baroclinic fronts: an analytical consideration with a reference to the Arctic Ocean

NASA Astrophysics Data System (ADS)

Kuzmina, Natalia

2016-12-01

Analytical solutions are found for the problem of instability of a weak geostrophic flow with linear velocity shear accounting for vertical diffusion of buoyancy. The analysis is based on the potential-vorticity equation in a long-wave approximation when the horizontal scale of disturbances is considered much larger than the local baroclinic Rossby radius. It is hypothesized that the solutions found can be applied to describe stable and unstable disturbances of the planetary scale with respect, in particular, to the Arctic Ocean, where weak baroclinic fronts with typical temporal variability periods on the order of several years or more have been observed and the β effect is negligible. Stable (decaying with time) solutions describe disturbances that, in contrast to the Rossby waves, can propagate to both the west and east, depending on the sign of the linear shear of geostrophic velocity. The unstable (growing with time) solutions are applied to explain the formation of large-scale intrusions at baroclinic fronts under the stable-stable thermohaline stratification observed in the upper layer of the Polar Deep Water in the Eurasian Basin. The suggested mechanism of formation of intrusions can be considered a possible alternative to the mechanism of interleaving at the baroclinic fronts due to the differential mixing.

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

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.

Diversity in virus assembly: biology makes things complicated

NASA Astrophysics Data System (ADS)

Zlotnick, Adam

2008-03-01

Icosahedral viruses have an elegance of geometry that implies a general path of assembly. However, structure alone provides insufficient information. Cowpea Chlorotic Mottle Virus (CCMV), an important system for studying virus assembly, consists of 90 coat protein (CP) homodimers condensed around an RNA genome. The crystal structure (Speir et al, 1995) reveals that assembly causes burial of hydrophobic surface and formation of β hexamers, the intertwining of N-termini of the CPs surrounding a quasi-sixfold. This structural view leads to reasonable and erroneous predictions: (i) CCMV capsids are extremely stable, and (ii) β hexamer formation is critical to assembly. Experimentally, we have found that capsids are based on a network of extremely weak (4-5 kT) pairwise interactions and that pentamer formation is the critical step in assembly kinetics. Because of the fragility of CP-Cp interaction, we can redirect assembly to generate and dissociate tubular nanostructures. The dynamic behavior of CCMV reflects the requirements and peculiarities of an evolved biological system; it does not necessarily reflect the behavior predicted from a more static picture of the virus.

Novel band structures in silicene on monolayer zinc sulfide substrate.

PubMed

Li, Sheng-shi; Zhang, Chang-wen; Yan, Shi-shen; Hu, Shu-jun; Ji, Wei-xiao; Wang, Pei-ji; Li, Ping

2014-10-01

Opening a sizable band gap in the zero-gap silicene without lowering the carrier mobility is a key issue for its application in nanoelectronics. Based on first-principles calculations, we find that the interaction energies are in the range of -0.09‒0.3 eV per Si atom, indicating a weak interaction between silicene and ZnS monolayer and the ABZn stacking is the most stable pattern. The band gap of silicene can be effectively tuned ranging from 0.025 to 1.05 eV in silicene and ZnS heterobilayer (Si/ZnS HBL). An unexpected indirect-direct band gap crossover is also observed in HBLs, dependent on the stacking pattern, interlayer spacing and external strain effects on silicene. Interestingly, the characteristics of Dirac cone with a nearly linear band dispersion relation of silicene can be preserved in the ABS pattern which is a metastable state, accompanied by a small electron effective mass and thus the carrier mobility is expected not to degrade much. These provide a possible way to design effective FETs out of silicene on a ZnS monolayer.

Crystallographic Study of a Novel Sub-Nanomolar Inhibitor Provides Insight on the Binding Interactions of Alkenyldiarylmethanes with Human Immunodeficiency Virus-1 (HIV-1) Reverse Transcriptase†

PubMed Central

Cullen, Matthew D.; Ho, William C.; Bauman, Joseph D.; Das, Kalyan; Arnold, Eddy; Hartman, Tracy L.; Watson, Karen M.; Buckheit, Robert W.; Pannecouque, Christophe; De Clercq, Erik; Cushman, Mark

2009-01-01

Two crystal structures have been solved for separate complexes of alkenyldiarylmethane (ADAM) non-nucleoside reverse transcriptase inhibitors (NNRTI) 3 and 4 with HIV-1 reverse transcriptase (RT). The structures reveal inhibitor binding is exclusively hydrophobic in nature and the shape of the inhibitor-bound NNRTI binding pocket is unique among other reported inhibitor-RT crystal structures. Primarily, ADAMs 3 and 4 protrude from a large gap in the backside of the binding pocket, placing portions of the inhibitors unusually close to the polymerase active site and allowing 3 to form a weak hydrogen bond with Lys223. The lack of additional stabilizing interactions, beyond the observed hydrophobic surface contacts, between 4 and RT is quite perplexing given the extreme potency of the compound (IC50 ≤ nM). ADAM 4 was designed to be hydrolytically stable in blood plasma, and an investigation of its hydrolysis in rat plasma demonstrated it has a significantly prolonged half-life in comparison to ADAM lead compounds 1 and 2. PMID:19775161

Accurate characterization of weak macromolecular interactions by titration of NMR residual dipolar couplings: application to the CD2AP SH3-C:ubiquitin complex.

PubMed

Ortega-Roldan, Jose Luis; Jensen, Malene Ringkjøbing; Brutscher, Bernhard; Azuaga, Ana I; Blackledge, Martin; van Nuland, Nico A J

2009-05-01

The description of the interactome represents one of key challenges remaining for structural biology. Physiologically important weak interactions, with dissociation constants above 100 muM, are remarkably common, but remain beyond the reach of most of structural biology. NMR spectroscopy, and in particular, residual dipolar couplings (RDCs) provide crucial conformational constraints on intermolecular orientation in molecular complexes, but the combination of free and bound contributions to the measured RDC seriously complicates their exploitation for weakly interacting partners. We develop a robust approach for the determination of weak complexes based on: (i) differential isotopic labeling of the partner proteins facilitating RDC measurement in both partners; (ii) measurement of RDC changes upon titration into different equilibrium mixtures of partially aligned free and complex forms of the proteins; (iii) novel analytical approaches to determine the effective alignment in all equilibrium mixtures; and (iv) extraction of precise RDCs for bound forms of both partner proteins. The approach is demonstrated for the determination of the three-dimensional structure of the weakly interacting CD2AP SH3-C:Ubiquitin complex (K(d) = 132 +/- 13 muM) and is shown, using cross-validation, to be highly precise. We expect this methodology to extend the remarkable and unique ability of NMR to study weak protein-protein complexes.

Accurate characterization of weak macromolecular interactions by titration of NMR residual dipolar couplings: application to the CD2AP SH3-C:ubiquitin complex

PubMed Central

Ortega-Roldan, Jose Luis; Jensen, Malene Ringkjøbing; Brutscher, Bernhard; Azuaga, Ana I.; Blackledge, Martin; van Nuland, Nico A. J.

2009-01-01

The description of the interactome represents one of key challenges remaining for structural biology. Physiologically important weak interactions, with dissociation constants above 100 μM, are remarkably common, but remain beyond the reach of most of structural biology. NMR spectroscopy, and in particular, residual dipolar couplings (RDCs) provide crucial conformational constraints on intermolecular orientation in molecular complexes, but the combination of free and bound contributions to the measured RDC seriously complicates their exploitation for weakly interacting partners. We develop a robust approach for the determination of weak complexes based on: (i) differential isotopic labeling of the partner proteins facilitating RDC measurement in both partners; (ii) measurement of RDC changes upon titration into different equilibrium mixtures of partially aligned free and complex forms of the proteins; (iii) novel analytical approaches to determine the effective alignment in all equilibrium mixtures; and (iv) extraction of precise RDCs for bound forms of both partner proteins. The approach is demonstrated for the determination of the three-dimensional structure of the weakly interacting CD2AP SH3-C:Ubiquitin complex (Kd = 132 ± 13 μM) and is shown, using cross-validation, to be highly precise. We expect this methodology to extend the remarkable and unique ability of NMR to study weak protein–protein complexes. PMID:19359362

Biofriendly bonding processes for nanoporous implantable SU-8 microcapsules for encapsulated cell therapy.

PubMed

Nemani, Krishnamurthy; Kwon, Joonbum; Trivedi, Krutarth; Hu, Walter; Lee, Jeong-Bong; Gimi, Barjor

2011-01-01

Mechanically robust, cell encapsulating microdevices fabricated using photolithographic methods can lead to more efficient immunoisolation in comparison to cell encapsulating hydrogels. There is a need to develop adhesive bonding methods which can seal such microdevices under physiologically friendly conditions. We report the bonding of SU-8 based substrates through (i) magnetic self assembly, (ii) using medical grade photocured adhesive and (iii) moisture and photochemical cured polymerization. Magnetic self-assembly, carried out in biofriendly aqueous buffers, provides weak bonding not suitable for long term applications. Moisture cured bonding of covalently modified SU-8 substrates, based on silanol condensation, resulted in weak and inconsistent bonding. Photocured bonding using a medical grade adhesive and of acrylate modified substrates provided stable bonding. Of the methods evaluated, photocured adhesion provided the strongest and most stable adhesion.

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.

Myotonic dystrophy mimicking postpolio syndrome in a polio survivor.

PubMed

Lim, Jae-Young; Kim, Kyoung-Eun; Choe, Gheeyoung

2009-02-01

We describe a 38-yr-old polio survivor with newly developed weakness from myotonic dystrophy. He suffered muscle atrophy and weakness in his legs as a result of poliomyelitis at the age of 3 yrs. After a stable interval of about 30 yrs, he felt new weakness and fatigue in his legs. Electromyography revealed generalized myotonic discharges, early recruitment, and findings of chronic denervation in his left leg. Genetic testing was consistent with myotonic dystrophy type 1. A biopsy from the right gastrocnemius revealed findings of both myotonic dystrophy and chronic denervation. This case report shows the importance of considering other uncommon conditions in the differential diagnoses of postpolio syndrome.

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.

Marginal Stability of Ion-Acoustic Waves in a Weakly Collisional Two-Temperature Plasma without a Current.

DTIC Science & Technology

1987-08-06

ABSTRACT (Continue on reverse if necessary and identify by block number) The linearized Balescu -Lenard-Poisson equations are solved in the weakly...free plasma is . unresolved. The purpose of this report is to present a resolution based upon the Balescu -Lenard-Poisson equations. The Balescu -Lenard...acoustic waves become marginally stable. Gur re- sults are based on the closed form solution for the dielectric function for the line- arized Balescu -Lenard

Wavelet threshold method of resolving noise interference in periodic short-impulse signals chaotic detection

NASA Astrophysics Data System (ADS)

Deng, Ke; Zhang, Lu; Luo, Mao-Kang

2010-03-01

The chaotic oscillator has already been considered as a powerful method to detect weak signals, even weak signals accompanied with noises. However, many examples, analyses and simulations indicate that chaotic oscillator detection system cannot guarantee the immunity to noises (even white noise). In fact the randomness of noises has a serious or even a destructive effect on the detection results in many cases. To solve this problem, we present a new detecting method based on wavelet threshold processing that can detect the chaotic weak signal accompanied with noise. All theoretical analyses and simulation experiments indicate that the new method reduces the noise interferences to detection significantly, thereby making the corresponding chaotic oscillator that detects the weak signals accompanied with noises more stable and reliable.

Weak Galerkin method for the Biot’s consolidation model

DOE PAGES

Hu, Xiaozhe; Mu, Lin; Ye, Xiu

2017-08-23

In this study, we develop a weak Galerkin (WG) finite element method for the Biot’s consolidation model in the classical displacement–pressure two-field formulation. Weak Galerkin linear finite elements are used for both displacement and pressure approximations in spatial discretizations. Backward Euler scheme is used for temporal discretization in order to obtain an implicit fully discretized scheme. We study the well-posedness of the linear system at each time step and also derive the overall optimal-order convergence of the WG formulation. Such WG scheme is designed on general shape regular polytopal meshes and provides stable and oscillation-free approximation for the pressure withoutmore » special treatment. Lastlyl, numerical experiments are presented to demonstrate the efficiency and accuracy of the proposed weak Galerkin finite element method.« less

Weak Galerkin method for the Biot’s consolidation model

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

Hu, Xiaozhe; Mu, Lin; Ye, Xiu

In this study, we develop a weak Galerkin (WG) finite element method for the Biot’s consolidation model in the classical displacement–pressure two-field formulation. Weak Galerkin linear finite elements are used for both displacement and pressure approximations in spatial discretizations. Backward Euler scheme is used for temporal discretization in order to obtain an implicit fully discretized scheme. We study the well-posedness of the linear system at each time step and also derive the overall optimal-order convergence of the WG formulation. Such WG scheme is designed on general shape regular polytopal meshes and provides stable and oscillation-free approximation for the pressure withoutmore » special treatment. Lastlyl, numerical experiments are presented to demonstrate the efficiency and accuracy of the proposed weak Galerkin finite element method.« less

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

The role of drought- and disturbance-mediated competition in shaping community responses to varied environments.

PubMed

Napier, Joseph D; Mordecai, Erin A; Heckman, Robert W

2016-06-01

By altering the strength of intra- and interspecific competition, droughts may reshape plant communities. Furthermore, species may respond differently to drought when other influences, such as herbivory, are considered. To explore this relationship, we conducted a greenhouse experiment measuring responses to inter- and intraspecific competition for two grasses, Schedonorus arundinaceus and Paspalum dilatatum, while varying water availability and simulating herbivory via clipping. We then parameterized population growth models to examine the long-term outcome of competition under these conditions. Under drought, S. arundinaceus was less water stressed than P. dilatatum, which exhibited severe water stress; clipping alleviated this stress, increasing the competitive ability of P. dilatatum relative to S. arundinaceus. Although P. dilatatum competed weakly under drought, clipping reduced water stress in P. dilatatum, thereby enhancing its ability to compete with S. arundinaceus under drought. Supporting these observations, population growth models predicted that P. dilatatum would exclude S. arundinaceus when clipped under drought, while S. arundinaceus would exclude P. dilatatum when unclipped under drought. When the modeled environment varied temporally, environmental variation promoted niche differences that, though insufficient to maintain stable coexistence, prevented unconditional competitive exclusion by promoting priority effects. Our results suggest that it is important to consider how species respond not just to stable, but also to variable, environments. When species differ in their responses to drought, competition, and simulated herbivory, stable environments may promote competitive exclusion, while fluctuating environments may promote coexistence. These interactions are critical to understanding how species will respond to global change.

The stability of a crystal with diamond structure for patchy particles with tetrahedral symmetry.

PubMed

Noya, Eva G; Vega, Carlos; Doye, Jonathan P K; Louis, Ard A

2010-06-21

The phase diagram of model anisotropic particles with four attractive patches in a tetrahedral arrangement has been computed at two different values of the range of the potential, with the aim of investigating the conditions under which a diamond crystal can be formed. We find that the diamond phase is never stable for our longer-ranged potential. At low temperatures and pressures, the fluid freezes into a body-centered-cubic solid that can be viewed as two interpenetrating diamond lattices with a weak interaction between the two sublattices. Upon compression, an orientationally ordered face-centered-cubic crystal becomes more stable than the body-centered-cubic crystal, and at higher temperatures, a plastic face-centered-cubic phase is stabilized by the increased entropy due to orientational disorder. A similar phase diagram is found for the shorter-ranged potential, but at low temperatures and pressures, we also find a region over which the diamond phase is thermodynamically favored over the body-centered-cubic phase. The higher vibrational entropy of the diamond structure with respect to the body-centered-cubic solid explains why it is stable even though the enthalpy of the latter phase is lower. Some preliminary studies on the growth of the diamond structure starting from a crystal seed were performed. Even though the diamond phase is never thermodynamically stable for the longer-ranged model, direct coexistence simulations of the interface between the fluid and the body-centered-cubic crystal and between the fluid and the diamond crystal show that at sufficiently low pressures, it is quite probable that in both cases the solid grows into a diamond crystal, albeit involving some defects. These results highlight the importance of kinetic effects in the formation of diamond crystals in systems of patchy particles.

Blocking, descent and gravity waves: Observations and modelling of a MAP northerly föhn event

NASA Astrophysics Data System (ADS)

Jiang, Qingfang; Doyle, James D.; Smith, Ronald B.

2005-01-01

A northerly föhn event observed during the special observational period of the Mesoscale Alpine Programme is investigated based on observational analysis and numerical modelling. The focus of this study includes three dynamical processes associated with mountain perturbations and their interactions, namely, windward flow blocking, descent and warming on the lee side, and mountain waves. Observations indicate the presence of a deep weak-flow layer underneath a stable layer, associated with Alpine-scale blocking. Satellite imagery reveals a föhninduced cloud-free area to the south of the Alps, which is consistent with flow descent diagnosed from radiosondes and constant-volume balloons. Moderate-amplitude stationary waves were observed by research aircraft over the major Alpine peaks. Satellite images and balloon data indicate the presence of stationary trapped-wave patterns located to the north of the Alpine massif.Satisfactory agreement is found between observations and a real-data COAMPS simulation nested to 1 km resolution. COAMPS indicates the presence of trapped waves associated with a sharp decrease of Scorer parameter above a stable layer in the mid-troposphere. Underneath the stable layer, moist low-level flow is blocked to the north of the Alps. The warm air in the stable layer descends in the lee and recovers its altitude over a relatively short horizontal distance through a hydraulic jump.Blocking reduces the effective mountain and hence significantly reduces mountain drag. A simple empirical formula for estimation of the effective mountain height, he, is derived based on numerical simulations. The formula states he/hc = (h/hc), where h is the real mountain height and hc is the critical mountain height to have flow stagnation.

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

Molecular dynamics simulations of the adsorption of bone morphogenetic protein-2 on surfaces with medical relevance.

PubMed

Utesch, Tillmann; Daminelli, Grazia; Mroginski, Maria Andrea

2011-11-01

Bone morphogenetic protein-2 (BMP-2) plays a crucial role in osteoblast differentiation and proliferation. Its effective therapeutic use for ectopic bone and cartilage regeneration depends, among other factors, on the interaction with the carrier at the implant site. In this study, we used classical molecular dynamics (MD) and a hybrid approach of steered molecular dynamics (SMD) combined with MD simulations to investigate the initial stages of the adsorption of BMP-2 when approaching two implant surfaces, hydrophobic graphite and hydrophilic titanium dioxide rutile. Surface adsorption was evaluated for six different orientations of the protein, two end-on and four side-on, in explicit water environment. On graphite, we observed a weak but stable adsorption. Depending on the initial orientation, hydrophobic patches as well as flexible loops of the protein were involved in the interaction with graphite. On the contrary, BMP-2 adsorbed only loosely to hydrophilic titanium dioxide. Despite a favorable interaction energy between protein and the TiO(2) surface, the rapid formation of a two-layer water structure prevented the direct interaction between protein and titanium dioxide. The first water adlayer had a strong repulsive effect on the protein, while the second attracted the protein toward the surface. For both surfaces, hydrophobic graphite and hydrophilic titanium dioxide, denaturation of BMP-2 induced by adsorption was not observed on the nanosecond time scale.

Characterization and correction of charge-induced pixel shifts in DECam

DOE PAGES

Gruen, D.; Bernstein, G. M.; Jarvis, M.; ...

2015-05-28

Interaction of charges in CCDs with the already accumulated charge distribution causes both a flux dependence of the point-spread function (an increase of observed size with flux, also known as the brighter/fatter effect) and pixel-to-pixel correlations of the Poissonian noise in flat fields. We describe these effects in the Dark Energy Camera (DECam) with charge dependent shifts of effective pixel borders, i.e. the Antilogus et al. (2014) model, which we fit to measurements of flat-field Poissonian noise correlations. The latter fall off approximately as a power-law r -2.5 with pixel separation r, are isotropic except for an asymmetry in themore » direct neighbors along rows and columns, are stable in time, and are weakly dependent on wavelength. They show variations from chip to chip at the 20% level that correlate with the silicon resistivity. The charge shifts predicted by the model cause biased shape measurements, primarily due to their effect on bright stars, at levels exceeding weak lensing science requirements. We measure the flux dependence of star images and show that the effect can be mitigated by applying the reverse charge shifts at the pixel level during image processing. Differences in stellar size, however, remain significant due to residuals at larger distance from the centroid.« less

Self-assembly of model graft copolymers of agarose and weak polyelectrolyte-based amphiphilic diblock copolymers: controlled drug release and degradation.

PubMed

Muppalla, Ravikumar; Jewrajka, Suresh K; Prasad, Kamalesh

2013-06-01

Polysaccharide-based copolymers are promising biomaterials due to their biocompatibility and biodegradability. For potential biomedical applications the copolymer as a whole and all the degraded species must be biocompatible and easily removable from the system. In this regards, new model pH-responsive seaweed agarose (Agr) grafted with weak polyelectrolyte-based well-defined amphiphilic block copolymers ca. poly[(methyl methacrylate)-b-(2-dimethylamino)ethyl methacrylate)] (PMMA-b-PDMA) were designed and synthesized to study the self-assembly, degradation, and in vitro hydrophobic/hydrophilic drug release behavior. The graft copolymer solutions display extremely low critical micelle concentration (CMC) and form pH responsive stable micelles. The degradation study of the graft copolymer reveals that the entire degraded components are well soluble/dispersible in water due to formation of mixed micelles. The micelles are also strongly adsorbed on the mica surface owing to electrostatic interaction. One application of the graft copolymer micelles is that it can entrap both hydrophilic and poorly water soluble hydrophobic drugs effectively and exhibit slow release kinetics. The release kinetics of both the hydrophilic and poorly water soluble hydrophobic drugs change with pH as well as with the composition of the graft copolymer. Copyright © 2012 Wiley Periodicals, Inc.

Dissipating Step Bunches during Crystallization under Transport Control

NASA Technical Reports Server (NTRS)

Lin, Hong; Yau, S.-T.; Vekilov, Peter, G.

2003-01-01

In studies of crystal formation by the generation and spreading of layers, equidistant step trains are considered unstable---bunches and other spatiotemporal patterns of the growth steps are viewed as ubiquitous. We provide an example to the opposite. We monitor the spatiotemporal dynamics of steps and the resulting step patterns during crystallization of the proteins ferritin and apoferritin using the atomic force microscope. The variations in step velocity and density are not correlated, indicating the lack of a long-range attraction between the steps. We show that (i) because of its coupling to bulk transport, nucleation of new layers is chaotic and occurs at the facet edges, where the interfacial supersaturation is higher; (ii) step bunches self-organize via the competition for supply from the solution; and, (iii) bunches of weakly interacting steps decay as they move along the face. Tests by numerical modeling support the conclusions about the mechanisms underlying our observations. The results from these systems suggest that during crystallization controlled by transport, with weakly or noninteracting growth steps, the stable kinetic state of the surface is an equidistant step train, and step bunches only arise during nucleation of new layers. Since nucleation only occurs at a few sites on the surface, the surface morphology may be controllably patterned or smoothened by locally controlling nucleation.

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; Baroncelli, A; Barone, G; Barr, A J; Barreiro, F; da Costa, J Barreiro Guimarães; Barrillon, P; Bartoldus, R; Barton, A E; Bartsch, V; Bates, R L; Batkova, L; Batley, J R; Battaglia, A; Battistin, M; Bauer, F; Bawa, H S; Beale, S; Beare, B; Beau, T; Beauchemin, P H; Beccherle, R; Bechtle, P; Beck, H P; Becker, S; Beckingham, M; Becks, K H; Beddall, A J; Beddall, A; Bedikian, S; Bednyakov, V A; Bee, C P; Begel, M; Behar Harpaz, S; Behera, P K; Beimforde, M; Belanger-Champagne, C; Bell, P J; Bell, W H; Bella, G; Bellagamba, L; Bellina, F; Bellomo, M; Belloni, A; Beloborodova, O; Belotskiy, K; Beltramello, O; Ben Ami, S; Benary, O; Benchekroun, D; Benchouk, C; Bendel, M; Benekos, N; Benhammou, Y; Benhar Noccioli, E; Benitez Garcia, J A; Benjamin, D P; Benoit, M; Bensinger, J R; Benslama, K; Bentvelsen, S; Berge, D; Bergeaas Kuutmann, E; Berger, N; Berghaus, F; Berglund, E; Beringer, J; Bernat, P; Bernhard, R; Bernius, C; Berry, T; Bertella, C; Bertin, A; Bertinelli, F; Bertolucci, F; Besana, M I; Besson, N; Bethke, S; Bhimji, W; Bianchi, R M; Bianco, M; Biebel, O; Bieniek, S P; Bierwagen, K; Biesiada, J; Biglietti, M; Bilokon, H; Bindi, M; Binet, S; Bingul, A; Bini, C; Biscarat, C; Bitenc, U; Black, K M; Blair, R E; Blanchard, J-B; Blanchot, G; Blazek, T; Blocker, C; Blocki, J; Blondel, A; Blum, W; Blumenschein, U; Bobbink, G J; Bobrovnikov, V B; Bocchetta, S S; Bocci, A; Boddy, C R; Boehler, M; Boek, J; Boelaert, N; Böser, S; Bogaerts, J A; Bogdanchikov, A; Bogouch, A; Bohm, C; Boisvert, V; Bold, T; Boldea, V; Bolnet, N M; Bona, M; Bondarenko, V G; Bondioli, M; Boonekamp, M; Boorman, G; Booth, C N; Bordoni, S; Borer, C; Borisov, A; Borissov, G; Borjanovic, I; Borroni, S; Bos, K; Boscherini, D; Bosman, M; Boterenbrood, H; Botterill, D; Bouchami, J; Boudreau, J; Bouhova-Thacker, E V; Boumediene, D; Bourdarios, C; Bousson, N; Boveia, A; Boyd, J; Boyko, I R; Bozhko, N I; Bozovic-Jelisavcic, I; Bracinik, J; Braem, A; Branchini, P; Brandenburg, G W; Brandt, A; Brandt, G; Brandt, O; Bratzler, U; Brau, B; Brau, J E; Braun, H M; Brelier, B; Bremer, J; Brenner, R; Bressler, S; Breton, D; Britton, D; Brochu, F M; Brock, I; Brock, R; Brodbeck, T J; Brodet, E; Broggi, F; Bromberg, C; Bronner, J; Brooijmans, G; Brooks, W K; Brown, G; Brown, H; Bruckman de Renstrom, P A; Bruncko, D; Bruneliere, R; Brunet, S; Bruni, A; Bruni, G; Bruschi, M; Buanes, T; Buat, Q; Bucci, F; Buchanan, J; Buchanan, N J; Buchholz, P; Buckingham, R M; Buckley, A G; Buda, S I; Budagov, I A; Budick, B; Büscher, V; Bugge, L; Bulekov, O; Bunse, M; Buran, T; Burckhart, H; Burdin, S; Burgess, T; Burke, S; Busato, E; Bussey, P; Buszello, C P; Butin, F; Butler, B; Butler, J M; Buttar, C M; Butterworth, J M; Buttinger, W; Cabrera Urbán, S; Caforio, D; Cakir, O; Calafiura, P; Calderini, G; Calfayan, P; Calkins, R; Caloba, L P; Caloi, R; Calvet, D; Calvet, S; Camacho Toro, R; Camarri, P; Cambiaghi, M; Cameron, D; Caminada, L M; Campana, S; Campanelli, M; Canale, V; Canelli, F; Canepa, A; Cantero, J; Capasso, L; Capeans Garrido, M D M; Caprini, I; Caprini, M; Capriotti, D; Capua, M; Caputo, R; Caramarcu, C; Cardarelli, R; Carli, T; Carlino, G; Carminati, L; Caron, B; Caron, S; Carrillo Montoya, G D; Carter, A A; Carter, J R; Carvalho, J; Casadei, D; Casado, M P; Cascella, M; Caso, C; Castaneda Hernandez, A M; Castaneda-Miranda, E; Castillo Gimenez, V; Castro, N F; Cataldi, G; Cataneo, F; Catinaccio, A; Catmore, J R; Cattai, A; Cattani, G; Caughron, S; Cauz, D; Cavalleri, P; Cavalli, D; Cavalli-Sforza, M; Cavasinni, V; Ceradini, F; Cerqueira, A S; Cerri, A; Cerrito, L; Cerutti, F; Cetin, S A; Cevenini, F; Chafaq, A; Chakraborty, D; Chan, K; Chapleau, B; Chapman, J D; Chapman, J W; Chareyre, E; Charlton, D G; Chavda, V; Chavez Barajas, C A; Cheatham, S; Chekanov, S; Chekulaev, S V; Chelkov, G A; Chelstowska, M A; Chen, C; Chen, H; Chen, S; Chen, T; Chen, X; Cheng, S; Cheplakov, A; Chepurnov, V F; Cherkaoui El Moursli, R; Chernyatin, V; Cheu, E; Cheung, S L; Chevalier, L; Chiefari, G; Chikovani, L; Childers, J T; Chilingarov, A; Chiodini, G; Chizhov, M V; Choudalakis, G; Chouridou, S; Christidi, I A; Christov, A; Chromek-Burckhart, D; Chu, M L; Chudoba, J; Ciapetti, G; Ciba, K; Ciftci, A K; Ciftci, R; Cinca, D; Cindro, V; Ciobotaru, M D; Ciocca, C; Ciocio, A; Cirilli, M; Citterio, M; Ciubancan, M; Clark, A; Clark, P J; Cleland, W; Clemens, J C; Clement, B; Clement, C; Clifft, R W; Coadou, Y; Cobal, M; Coccaro, A; Cochran, J; Coe, P; Cogan, J G; Coggeshall, J; Cogneras, E; Colas, J; Colijn, A P; Collins, N J; Collins-Tooth, C; Collot, J; Colon, G; Conde Muiño, P; Coniavitis, E; Conidi, M C; Consonni, M; Consorti, V; Constantinescu, S; Conta, C; Conventi, F; Cook, J; Cooke, M; Cooper, B D; Cooper-Sarkar, A M; Copic, K; Cornelissen, T; Corradi, M; Corriveau, F; Cortes-Gonzalez, A; Cortiana, G; Costa, G; Costa, M J; Costanzo, D; Costin, T; Côté, D; Coura Torres, R; Courneyea, L; Cowan, G; Cowden, C; Cox, B E; Cranmer, K; Crescioli, F; Cristinziani, M; Crosetti, G; Crupi, R; Crépé-Renaudin, S; Cuciuc, C-M; Cuenca Almenar, C; Cuhadar Donszelmann, T; Curatolo, M; Curtis, C J; Cuthbert, C; Cwetanski, P; Czirr, H; Czodrowski, P; Czyczula, Z; D'Auria, S; D'Onofrio, M; D'Orazio, A; Da Silva, P V M; Da Via, C; Dabrowski, W; Dai, T; Dallapiccola, C; Dam, M; Dameri, M; Damiani, D S; Danielsson, H O; Dannheim, D; Dao, V; Darbo, G; Darlea, G L; Daum, C; Davey, W; Davidek, T; Davidson, N; Davidson, R; Davies, E; Davies, M; Davison, A R; Davygora, Y; Dawe, E; Dawson, I; Dawson, J W; Daya-Ishmukhametova, R K; De, K; de Asmundis, R; De Castro, S; De Castro Faria Salgado, P E; De Cecco, S; de Graat, J; De Groot, N; de Jong, P; De La Taille, C; De la Torre, H; De Lotto, B; de Mora, L; De Nooij, L; De Pedis, D; De Salvo, A; De Sanctis, U; De Santo, A; De Vivie De Regie, J B; Dean, S; Dearnaley, W J; Debbe, R; Debenedetti, C; Dedovich, D V; Degenhardt, J; Dehchar, M; Del Papa, C; Del Peso, J; Del Prete, T; Delemontex, T; Deliyergiyev, M; Dell'acqua, A; Dell'asta, L; Della Pietra, M; Della Volpe, D; Delmastro, M; Delruelle, N; Delsart, P A; Deluca, C; Demers, S; Demichev, M; Demirkoz, B; Deng, J; Denisov, S P; Derendarz, D; Derkaoui, J E; Derue, F; Dervan, P; Desch, K; Devetak, E; Deviveiros, P O; Dewhurst, A; Dewilde, B; Dhaliwal, S; Dhullipudi, R; Di Ciaccio, A; Di Ciaccio, L; Di Girolamo, A; Di Girolamo, B; Di Luise, S; Di Mattia, A; Di Micco, B; Di Nardo, R; Di Simone, A; Di Sipio, R; Diaz, M A; Diblen, F; Diehl, E B; Dietrich, J; Dietzsch, T A; Diglio, S; Dindar Yagci, K; Dingfelder, J; Dionisi, C; Dita, P; Dita, S; Dittus, F; Djama, F; Djobava, T; do Vale, M A B; Do Valle Wemans, A; Doan, T K O; Dobbs, M; Dobinson, R; Dobos, D; Dobson, E; Dodd, J; Doglioni, C; Doherty, T; Doi, Y; Dolejsi, J; Dolenc, I; Dolezal, Z; Dolgoshein, B A; Dohmae, T; Donadelli, M; Donega, M; Donini, J; Dopke, J; Doria, A; Dos Anjos, A; Dosil, M; Dotti, A; Dova, M T; Dowell, J D; Doxiadis, A D; Doyle, A T; Drasal, Z; Drees, J; Dressnandt, N; Drevermann, H; Driouichi, C; Dris, M; Dubbert, J; Dube, S; Duchovni, E; Duckeck, G; Dudarev, A; Dudziak, F; Dührssen, M; Duerdoth, I P; Duflot, L; Dufour, M-A; Dunford, M; Duran Yildiz, H; Duxfield, R; Dwuznik, M; Dydak, F; Düren, M; Ebenstein, W L; Ebke, J; Eckweiler, S; Edmonds, K; Edwards, C A; Edwards, N C; Ehrenfeld, W; Ehrich, T; Eifert, T; Eigen, G; Einsweiler, K; Eisenhandler, E; Ekelof, T; El Kacimi, M; Ellert, M; Elles, S; Ellinghaus, F; Ellis, K; Ellis, N; Elmsheuser, J; Elsing, M; Emeliyanov, D; Engelmann, R; Engl, A; Epp, B; Eppig, A; Erdmann, J; Ereditato, A; Eriksson, D; Ernst, J; Ernst, M; Ernwein, J; Errede, D; Errede, S; Ertel, E; Escalier, M; Escobar, C; Espinal Curull, X; Esposito, B; Etienne, F; Etienvre, A I; Etzion, E; Evangelakou, D; Evans, H; Fabbri, L; Fabre, C; Fakhrutdinov, R M; Falciano, S; Fang, Y; Fanti, M; Farbin, A; Farilla, A; Farley, J; Farooque, T; Farrington, S M; Farthouat, P; Fassnacht, P; Fassouliotis, D; Fatholahzadeh, B; Favareto, A; Fayard, L; Fazio, S; Febbraro, R; Federic, P; Fedin, O L; Fedorko, W; Fehling-Kaschek, M; Feligioni, L; Fellmann, D; Feng, C; Feng, E J; Fenyuk, A B; Ferencei, J; Ferland, J; Fernando, W; Ferrag, S; Ferrando, J; Ferrara, V; Ferrari, A; Ferrari, P; Ferrari, R; Ferrer, A; Ferrer, M L; Ferrere, D; Ferretti, C; Ferretto Parodi, A; Fiascaris, M; Fiedler, F; Filipčič, A; Filippas, A; Filthaut, F; Fincke-Keeler, M; Fiolhais, M C N; Fiorini, L; Firan, A; Fischer, G; Fischer, P; Fisher, M J; Flechl, M; Fleck, I; Fleckner, J; Fleischmann, P; Fleischmann, S; Flick, T; Flores Castillo, L R; Flowerdew, M J; Fokitis, M; Fonseca Martin, T; Forbush, D A; Formica, A; Forti, A; Fortin, D; Foster, J M; Fournier, D; Foussat, A; Fowler, A J; Fowler, K; Fox, H; Francavilla, P; Franchino, S; Francis, D; Frank, T; Franklin, M; Franz, S; Fraternali, M; Fratina, S; French, S T; Friedrich, F; Froeschl, R; Froidevaux, D; Frost, J A; Fukunaga, C; Fullana Torregrosa, E; Fuster, J; Gabaldon, C; Gabizon, O; Gadfort, T; Gadomski, S; Gagliardi, G; Gagnon, P; Galea, C; Gallas, E J; Gallo, V; Gallop, B J; Gallus, P; Gan, K K; Gao, Y S; Gapienko, V A; Gaponenko, A; Garberson, F; Garcia-Sciveres, M; García, C; García Navarro, J E; Gardner, R W; Garelli, N; Garitaonandia, H; Garonne, V; Garvey, J; Gatti, C; Gaudio, G; Gaumer, O; Gaur, B; Gauthier, L; Gavrilenko, I L; Gay, C; Gaycken, G; Gayde, J-C; Gazis, E N; Ge, P; Gee, C N P; Geerts, D A A; Geich-Gimbel, Ch; Gellerstedt, K; Gemme, C; Gemmell, A; Genest, M H; Gentile, S; George, M; George, S; Gerlach, P; Gershon, A; Geweniger, C; Ghazlane, H; Ghodbane, N; Giacobbe, B; Giagu, S; Giakoumopoulou, V; Giangiobbe, V; Gianotti, F; Gibbard, B; Gibson, A; Gibson, S M; Gilbert, L M; Gilewsky, V; Gillberg, D; Gillman, A R; Gingrich, D M; Ginzburg, J; Giokaris, N; Giordani, M P; Giordano, R; Giorgi, F M; Giovannini, P; Giraud, P F; Giugni, D; Giunta, M; Giusti, P; Gjelsten, B K; Gladilin, L K; Glasman, C; Glatzer, J; Glazov, A; Glitza, K W; Glonti, G L; Goddard, J R; Godfrey, J; Godlewski, J; Goebel, M; Göpfert, T; Goeringer, C; Gössling, C; Göttfert, T; Goldfarb, S; Golling, T; Golovnia, S N; Gomes, A; Gomez Fajardo, L S; Gonçalo, R; Goncalves Pinto Firmino Da Costa, J; Gonella, L; Gonidec, A; Gonzalez, S; González de la Hoz, S; Gonzalez Parra, G; Gonzalez Silva, M L; Gonzalez-Sevilla, S; Goodson, J J; Goossens, L; Gorbounov, P A; Gordon, H A; Gorelov, I; Gorfine, G; Gorini, B; Gorini, E; Gorišek, A; Gornicki, E; Gorokhov, S A; Goryachev, V N; Gosdzik, B; Gosselink, M; Gostkin, M I; Gough Eschrich, I; Gouighri, M; Goujdami, D; Goulette, M P; Goussiou, A G; Goy, C; Gozpinar, S; Grabowska-Bold, I; Grafström, P; Grahn, K-J; Grancagnolo, F; Grancagnolo, S; Grassi, V; Gratchev, V; Grau, N; Gray, H M; Gray, J A; Graziani, E; Grebenyuk, O G; Greenshaw, T; Greenwood, Z D; Gregersen, K; Gregor, I M; Grenier, P; Griffiths, J; Grigalashvili, N; Grillo, A A; Grinstein, S; Grishkevich, Y V; Grivaz, J-F; Groh, M; Gross, E; Grosse-Knetter, J; Groth-Jensen, J; Grybel, K; Guarino, V J; Guest, D; Guicheney, C; Guida, A; Guindon, S; Guler, H; Gunther, J; Guo, B; Guo, J; Gupta, A; Gusakov, Y; Gushchin, V N; Gutierrez, A; Gutierrez, P; Guttman, N; Gutzwiller, O; Guyot, C; Gwenlan, C; Gwilliam, C B; Haas, A; Haas, S; Haber, C; Hadavand, H K; Hadley, D R; Haefner, P; Hahn, F; Haider, S; Hajduk, Z; Hakobyan, H; Hall, D; Haller, J; Hamacher, K; Hamal, P; Hamer, M; Hamilton, A; Hamilton, S; Han, H; Han, L; Hanagaki, K; Hanawa, K; Hance, M; Handel, C; Hanke, P; Hansen, J R; Hansen, J B; Hansen, J D; Hansen, P H; Hansson, P; Hara, K; Hare, G A; Harenberg, T; Harkusha, S; Harper, D; Harrington, R D; Harris, O M; Harrison, K; Hartert, J; Hartjes, F; Haruyama, T; Harvey, A; Hasegawa, S; Hasegawa, Y; Hassani, S; Hatch, M; Hauff, D; Haug, S; Hauschild, M; Hauser, R; Havranek, M; Hawes, B M; Hawkes, C M; Hawkings, R J; Hawkins, A D; Hawkins, D; Hayakawa, T; Hayashi, T; Hayden, D; Hayward, H S; Haywood, S J; Hazen, E; He, M; Head, S J; Hedberg, V; Heelan, L; Heim, S; Heinemann, B; Heisterkamp, S; Helary, L; Heller, C; Heller, M; Hellman, S; Hellmich, D; Helsens, C; Henderson, R C W; Henke, M; Henrichs, A; Henriques Correia, A M; Henrot-Versille, S; Henry-Couannier, F; Hensel, C; Henß, T; Hernandez, C M; Hernández Jiménez, Y; Herrberg, R; Hershenhorn, A D; Herten, G; Hertenberger, R; Hervas, L; Hessey, N P; Higón-Rodriguez, E; Hill, D; Hill, J C; Hill, N; Hiller, K H; Hillert, S; Hillier, S J; Hinchliffe, I; Hines, E; Hirose, M; Hirsch, F; Hirschbuehl, D; Hobbs, J; Hod, N; Hodgkinson, M C; Hodgson, P; Hoecker, A; Hoeferkamp, M R; Hoffman, J; Hoffmann, D; Hohlfeld, M; Holder, M; Holmgren, S O; Holy, T; Holzbauer, J L; Homma, Y; Hong, T M; Hooft van Huysduynen, L; Horazdovsky, T; Horn, C; Horner, S; Hostachy, J-Y; Hou, S; Houlden, M A; Hoummada, A; Howarth, J; Howell, D F; Hristova, I; Hrivnac, J; Hruska, I; Hryn'ova, T; Hsu, P J; Hsu, S-C; Huang, G S; Hubacek, Z; Hubaut, F; Huegging, F; Huettmann, A; Huffman, T B; Hughes, E W; Hughes, G; Hughes-Jones, R E; Huhtinen, M; Hurst, P; Hurwitz, M; Husemann, U; Huseynov, N; Huston, J; Huth, J; Iacobucci, G; Iakovidis, G; Ibbotson, 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.

Precession effects on a liquid planetary core

NASA Astrophysics Data System (ADS)

Liu, Min; Li, Li-Gang

2018-02-01

Motivated by the desire to understand the rich dynamics of precessionally driven flow in a liquid planetary core, we investigate, through numerical simulations, the precessing fluid motion in a rotating cylindrical annulus, which simultaneously possesses slow precession. The same problemhas been studied extensively in cylinders, where the precessing flow is characterized by three key parameters: the Ekman number E, the Poincaré number Po and the radius-height aspect ratio Γ. While in an annulus, there is another parameter, the inner-radius-height aspect ratio ϒ, which also plays an important role in controlling the structure and evolution of the flow. By decomposing the nonlinear solution into a set of inertial modes, we demonstrate the properties of both weakly and moderately precessing flows. It is found that, when the precessional force is weak, the flow is stable with a constant amplitude of kinetic energy. As the precessional force increases, our simulation suggests that the nonlinear interaction between the boundary effects and the inertial modes can trigger more turbulence, introducing a transitional regime of rich dynamics to disordered flow. The inertial mode u 111, followed by u 113 or u 112, always dominates the precessing flow when 0.001 ≤ Po ≤ 0.05, ranging from weak to moderate precession. Moreover, the precessing flow in an annulus shows more stability than in a cylinder which is likely to be caused by the effect of the inner boundary that restricts the growth of resonant and non-resonant inertial modes. Furthermore, the mechanism of triadic resonance is not found in the transitional regime from a laminar to disordered flow.

The thermal stability of the nanograin structure in a weak solute segregation system.

PubMed

Tang, Fawei; Song, Xiaoyan; Wang, Haibin; Liu, Xuemei; Nie, Zuoren

2017-02-08

A hybrid model that combines first principles calculations and thermodynamic evaluation was developed to describe the thermal stability of a nanocrystalline solid solution with weak segregation. The dependence of the solute segregation behavior on the electronic structure, solute concentration, grain size and temperature was demonstrated, using the nanocrystalline Cu-Zn system as an example. The modeling results show that the segregation energy changes with the solute concentration in a form of nonmonotonic function. The change in the total Gibbs free energy indicates that at a constant solute concentration and a given temperature, a nanocrystalline structure can remain stable when the initial grain size is controlled in a critical range. In experiments, dense nanocrystalline Cu-Zn alloy bulk was prepared, and a series of annealing experiments were performed to examine the thermal stability of the nanograins. The experimental measurements confirmed the model predictions that with a certain solute concentration, a state of steady nanograin growth can be achieved at high temperatures when the initial grain size is controlled in a critical range. The present work proposes that in weak solute segregation systems, the nanograin structure can be kept thermally stable by adjusting the solute concentration and initial grain size.

Influence of polymer-surfactant aggregates on fluid flow.

PubMed

Malcher, Tadeusz; Gzyl-Malcher, Barbara

2012-10-01

This paper describes the influence of interactions of poly(ethylene oxide) (PEO) with cationic cetyltrimethylammonium bromide (CTAB) micelles on drag reduction. Since the interactions between PEO and CTAB micelles alone are weak, salicylate ions were used as CTAB counterions. They facilitate formation of polymer-micelle aggregates by screening the electrostatic repulsions between the charged surfactant headgroups. The influence of polymer-surfactant interactions on drag reduction is of biomedical engineering importance. Drag reducing additives introduced to blood produce beneficial effects on blood circulation, representing a novel way to treat cardiovascular disorders. PEO is a blood-compatible polymer. However, it quickly mechanically degrades when subjected to high shear stresses. Thus, there is a need to search for other additives able to reduce drag, which would be more mechanically stable, e.g. polymer-surfactant aggregates. Numerical simulations of the flow were performed using the CFX software. Based on the internal structure of the polymer-surfactant solution, a hypothesis explaining the reason of increase of drag reduction and decrease in dynamic viscosity with increasing shear rate was proposed. It was suggested that the probable reason for the abrupt increase in friction factor, observed when the critical Reynolds number was exceeded, was the disappearance of the difference in the dynamic viscosity. Copyright © 2012 Elsevier B.V. All rights reserved.

Molecular modelling study of changes induced by netropsin binding to nucleosome core particles.

PubMed Central

Pérez, J J; Portugal, J

1990-01-01

It is well known that certain sequence-dependent modulators in structure appear to determine the rotational positioning of DNA on the nucleosome core particle. That preference is rather weak and could be modified by some ligands as netropsin, a minor-groove binding antibiotic. We have undertaken a molecular modelling approach to calculate the relative energy of interaction between a DNA molecule and the protein core particle. The histones particle is considered as a distribution of positive charges on the protein surface that interacts with the DNA molecule. The molecular electrostatic potentials for the DNA, simulated as a discontinuous cylinder, were calculated using the values for all the base pairs. Computing these parameters, we calculated the relative energy of interaction and the more stable rotational setting of DNA. The binding of four molecules of netropsin to this model showed that a new minimum of energy is obtained when the DNA turns toward the protein surface by about 180 degrees, so a new energetically favoured structure appears where netropsin binding sites are located facing toward the histones surface. The effect of netropsin could be explained in terms of an induced change in the phasing of DNA on the core particle. The induced rotation is considered to optimize non-bonded contacts between the netropsin molecules and the DNA backbone. PMID:2165249

Using Pot-Magnets to Enable Stable and Scalable Electromagnetic Tactile Displays.

PubMed

Zarate, Juan Jose; Shea, Herbert

2017-01-01

We present the design, fabrication, characterization, and psychophysical testing of a scalable haptic display based on electromagnetic (EM) actuators. The display consists of a 4 × 4 array of taxels, each of which can be in a raised or a lowered position, thus generating different static configurations. One of the most challenging aspects when designing densely-packed arrays of EM actuators is obtaining large actuation forces while simultaneously generating only weak interactions between neighboring taxels. In this work, we introduce a lightweight and effective magnetic shielding architecture. The moving part of each taxel is a cylindrical permanent magnet embedded in a ferromagnetic pot, forming a pot-magnet. An array of planar microcoils attracts or repels each pot-magnet. This configuration reduces the interaction between neighboring magnets by more than one order of magnitude, while the coil/magnet interaction is only reduced by 10 percent. For 4 mm diameter pins on an 8 mm pitch, we obtained displacements of 0.55 mm and forces of 40 mN using 1.7 W. We measured the accuracy of human perception under two actuation configurations which differed in the force versus displacement curve. We obtained 91 percent of correct answers in pulling configuration and 100 percent in pushing configuration.

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

Binding affinity of pro-apoptotic BH3 peptides for the anti-apoptotic Mcl-1 and A1 proteins: Molecular dynamics simulations of Mcl-1 and A1 in complex with six different BH3 peptides.

PubMed

Modi, Vivek; Sankararamakrishnan, Ramasubbu

2017-05-01

The anti-apoptotic members of Bcl-2 family of proteins bind to their pro-apoptotic counterparts to induce or prevent cell death.Based on the distinct binding profiles for specific pro-apoptotic BH3 peptides, the anti-apoptotic Bcl-2 proteins can be divided into at least two subclasses. The subclass that includes Bcl-X L binds strongly to Bad BH3 peptide while it has weak binding affinity for the second subclass of Bcl-2 proteins such as Mcl-1 and A1. Anti-apoptotic Bcl-2 proteins are considered to be attractive drug targets for anti-cancer drugs. BH3-mimetic inhibitors such as ABT-737 have been shown to be specific to Bcl-X L subclass while Mcl-1 and A1 show resistance to the same drug. An efficacious inhibitor should target all the anti-apoptotic Bcl-2 proteins. Hence, development of inhibitors selective to Mcl-1 and A1 is of prime importance for targeted cancer therapeutics. The first step to achieve this goal is to understand the molecular basis of high binding affinities of specific pro-apoptotic BH3 peptides for Mcl-1 and A1. To understand the interactions between the BH3 peptides and Mcl-1/A1, we performed multi-nanosecond molecular dynamics (MD) simulations of six complex structures of Mcl-1 and A1. With the exception of Bad, all complex structures were experimentally determined. Bad complex structures were modeled. Our simulation studies identified specific pattern of polar interactions between Mcl-1/A1 and high-affinity binding BH3 peptides. The lack of such polar interactions in Bad peptide complex is attributed to specific basic residues present before and after the highly conserved Leu residue. The close approach of basic residues in Bad and Mcl-1/A1 is hypothesized to be the cause of weak binding affinity. To test this hypothesis, we generated in silico mutants of these basic residues in Bad peptide and Mcl-1/A1 proteins. MD simulations of the mutant systems established the pattern of stable polar interactions observed in high-affinity binding BH3 peptides. We have thus identified specific residue positions in Bad and Mcl-1/A1 responsible for the weak binding affinity. Results from these simulation studies will aid in the development of inhibitors specific to Mcl-1 and A1 proteins. Copyright © 2017 Elsevier Inc. All rights reserved.

Periodic, complexiton solutions and stability for a (2+1)-dimensional variable-coefficient Gross-Pitaevskii equation in the Bose-Einstein condensation

NASA Astrophysics Data System (ADS)

Yin, Hui-Min; Tian, Bo; Zhao, Xin-Chao

2018-06-01

This paper presents an investigation of a (2 + 1)-dimensional variable-coefficient Gross-Pitaevskii equation in the Bose-Einstein condensation. Periodic and complexiton solutions are obtained. Solitons solutions are also gotten through the periodic solutions. Numerical solutions via the split step method are stable. Effects of the weak and strong modulation instability on the solitons are shown: the weak modulation instability permits an observable soliton, and the strong one overwhelms its development.

Dynamic delamination of patterned thin films

NASA Astrophysics Data System (ADS)

Kandula, Soma S. V.; Tran, Phuong; Geubelle, Philippe H.; Sottos, Nancy R.

2008-12-01

We investigate laser-induced dynamic delamination of a patterned thin film on a substrate. Controlled delamination results from our insertion of a weak adhesion region beneath the film. The inertial forces acting on the weakly bonded portion of the film lead to stable propagation of a crack along the film/substrate interface. Through a simple energy balance, we extract the critical energy for interfacial failure, a quantity that is difficult and sometimes impossible to characterize by more conventional methods for many thin film/substrate combinations.

Weak convergence to isotropic complex [Formula: see text] random measure.

PubMed

Wang, Jun; Li, Yunmeng; Sang, Liheng

2017-01-01

In this paper, we prove that an isotropic complex symmetric α -stable random measure ([Formula: see text]) can be approximated by a complex process constructed by integrals based on the Poisson process with random intensity.

Quality assessment of geogrids used for subgrade treatment.

DOT National Transportation Integrated Search

2012-12-01

Geogrid reinforcements have been used by the Indiana Department of Transportation (INDOT) to construct stable subgrade foundations : and to provide a working platform for construction over weak and soft soils. Use of geogrid reinforcement in a paveme...

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.

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.

Stable Tetraquarks

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

Quigg, Chris

For very heavy quarks, relations derived from heavy-quark symmetry imply novel narrow doubly heavy tetraquark states containing two heavy quarks and two light antiquarks. We predict that double-beauty states will be stable against strong decays, whereas the double-charm states and mixed beauty+charm states will dissociate into pairs of heavy-light mesons. Observing a new double-beauty state through its weak decays would establish the existence of tetraquarks and illuminate the role of heavy color-antitriplet diquarks as hadron constituents.

Computational design of a pH-sensitive IgG binding protein.

PubMed

Strauch, Eva-Maria; Fleishman, Sarel J; Baker, David

2014-01-14

Computational design provides the opportunity to program protein-protein interactions for desired applications. We used de novo protein interface design to generate a pH-dependent Fc domain binding protein that buries immunoglobulin G (IgG) His-433. Using next-generation sequencing of naïve and selected pools of a library of design variants, we generated a molecular footprint of the designed binding surface, confirming the binding mode and guiding further optimization of the balance between affinity and pH sensitivity. In biolayer interferometry experiments, the optimized design binds IgG with a Kd of ∼ 4 nM at pH 8.2, and approximately 500-fold more weakly at pH 5.5. The protein is extremely stable, heat-resistant and highly expressed in bacteria, and allows pH-based control of binding for IgG affinity purification and diagnostic devices.

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

Atomic Origins of the Self-Healing Function in Cement–Polymer Composites

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

Nguyen, Manh-Thuong; Wang, Zheming; Rod, Kenton A.

Motivated by recent advances in self-healing cement and epoxy polymer composites, we present a combined ab initio molecular dynamics and sum frequency generation (SFG) spectroscopy study of a calcium-silicate-hydrate/polymer interface. On stable, low-defect surfaces, the polymer only weakly adheres through coordination and hydrogen bonding interactions and can be easily mobilized towards defected surfaces. Conversely, on fractured surfaces, the polymer strongly anchors through ionic Ca-O bonds resulting from the deprotonation of polymer hydroxyl groups. In addition, polymer S-S groups are turned away from the cement/polymer interface, allowing for the self-healing function within the polymer. The overall elasticity and healing properties ofmore » these composites stem from a flexible hydrogen bonding network that can readily adapt to surface morphology. The theoretical vibrational signals associated with the proposed cement-polymer interfacial chemistry were confirmed experimentally by SFG spectroscopy.« less

Commissioning of the ArDM experiment at the Canfranc underground laboratory: first steps towards a tonne-scale liquid argon time projection chamber for Dark Matter searches

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

Calvo, J.; Cantini, C.; Crivelli, P.

The Argon Dark Matter (ArDM) experiment consists of a liquid argon (LAr) time projection chamber (TPC) sensitive to nuclear recoils, resulting from scattering of hypothetical Weakly Interacting Massive Particles (WIMPs) on argon targets. With an active target mass of 850 kg ArDM represents an important milestone towards developments for large LAr Dark Matter detectors. Here we present the experimental apparatus currently installed underground at the Laboratorio Subterráneo de Canfranc (LSC), Spain. We show data on gaseous or liquid argon targets recorded in 2015 during the commissioning of ArDM in single phase at zero E-field (ArDM Run I). The data confirmsmore » the overall good and stable performance of the ArDM tonne-scale LAr detector.« less

Conformational dimorphism of isochroman-1-ones in the solid state

NASA Astrophysics Data System (ADS)

Babjaková, Eva; Hanulíková, Barbora; Dastychová, Lenka; Kuřitka, Ivo; Nečas, Marek; Vícha, Robert

2014-12-01

Isochroman-1-one derivatives, which are relatives of coumarins, display a broad spectrum of biological activity; therefore, these derivatives attract the attention of chemists. A series of new isochroman-1-ones were prepared by the reaction of benzyl-derived Grignard reagents with acyl chlorides. All of the prepared compounds were characterized using single-crystal X-ray diffraction as well as FT-IR, NMR and MS techniques. Single crystal X-ray diffraction analysis revealed that the isochromanones can adopt two distinct conformations in the solid state. For one of the compounds, two polymorphs with unique forms crystallized separately under different temperatures. The packing of all of the examined crystals is stabilized via weak intramolecular C-H⋯π and/or C-H⋯O interactions. Although the closed conformer was predominantly found in the actual crystals, the open conformer is thermochemically more stable for all of the examined compounds according to DFT calculations.

Atomic Origins of the Self-Healing Function in Cement-Polymer Composites.

PubMed

Nguyen, Manh-Thuong; Wang, Zheming; Rod, Kenton A; Childers, M Ian; Fernandez, Carlos; Koech, Phillip K; Bennett, Wendy D; Rousseau, Roger; Glezakou, Vassiliki-Alexandra

2018-01-24

Motivated by recent advances in self-healing cement and epoxy polymer composites, we present a combined ab initio molecular dynamics and sum frequency generation (SFG) vibrational spectroscopy study of a calcium-silicate-hydrate/polymer interface. On stable, low-defect surfaces, the polymer only weakly adheres through coordination and hydrogen bonding interactions and can be easily mobilized toward defected surfaces. Conversely, on fractured surfaces, the polymer strongly anchors through ionic Ca-O bonds resulting from the deprotonation of polymer hydroxyl groups. In addition, polymer S-S groups are turned away from the cement-polymer interface, allowing for the self-healing function within the polymer. The overall elasticity and healing properties of these composites stem from a flexible hydrogen bonding network that can readily adapt to surface morphology. The theoretical vibrational signals associated with the proposed cement-polymer interfacial chemistry were confirmed experimentally by SFG vibrational spectroscopy.

Synthesis, structure and imaging of oligodeoxyribonucleotides with tellurium-nucleobase derivatization.

PubMed

Sheng, Jia; Hassan, Abdalla E A; Zhang, Wen; Zhou, Jianfeng; Xu, Bingqian; Soares, Alexei S; Huang, Zhen

2011-05-01

We report here the first synthesis of 5-phenyl-telluride-thymidine derivatives and the Te-phosphoramidite. We also report here the synthesis, structure and STM current-imaging studies of DNA oligonucleotides containing the nucleobases (thymine) derivatized with 5-phenyl-telluride functionality (5-Te). Our results show that the 5-Te-DNA is stable, and that the Te-DNA duplex has the thermo-stability similar to the corresponding native duplex. The crystal structure indicates that the 5-Te-DNA duplex structure is virtually identical to the native one, and that the Te-modified T and native A interact similarly to the native T and A pair. Furthermore, while the corresponding native showed weak signals, the DNA duplex modified with electron-rich tellurium functionality showed strong topographic and current peaks by STM imaging, suggesting a potential strategy to directly image DNA without structural perturbation. © The Author(s) 2011. Published by Oxford University Press.

Synthesis, structure and imaging of oligodeoxyribonucleotides with tellurium-nucleobase derivatization

PubMed Central

Sheng, Jia; Hassan, Abdalla E. A.; Zhang, Wen; Zhou, Jianfeng; Xu, Bingqian; Soares, Alexei S.; Huang, Zhen

2011-01-01

We report here the first synthesis of 5-phenyl–telluride–thymidine derivatives and the Te-phosphoramidite. We also report here the synthesis, structure and STM current-imaging studies of DNA oligonucleotides containing the nucleobases (thymine) derivatized with 5-phenyl-telluride functionality (5-Te). Our results show that the 5-Te-DNA is stable, and that the Te-DNA duplex has the thermo-stability similar to the corresponding native duplex. The crystal structure indicates that the 5-Te-DNA duplex structure is virtually identical to the native one, and that the Te-modified T and native A interact similarly to the native T and A pair. Furthermore, while the corresponding native showed weak signals, the DNA duplex modified with electron-rich tellurium functionality showed strong topographic and current peaks by STM imaging, suggesting a potential strategy to directly image DNA without structural perturbation. PMID:21245037

Synthesis Structure and Imaging of Oligodeoxyribonucleotides with Tellurium-nucleobase Derivatization

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

J Sheng; A Hassan; W Zhang

2011-12-31

We report here the first synthesis of 5-phenyl-telluride-thymidine derivatives and the Te-phosphoramidite. We also report here the synthesis, structure and STM current-imaging studies of DNA oligonucleotides containing the nucleobases (thymine) derivatized with 5-phenyl-telluride functionality (5-Te). Our results show that the 5-Te-DNA is stable, and that the Te-DNA duplex has the thermo-stability similar to the corresponding native duplex. The crystal structure indicates that the 5-Te-DNA duplex structure is virtually identical to the native one, and that the Te-modified T and native A interact similarly to the native T and A pair. Furthermore, while the corresponding native showed weak signals, the DNAmore » duplex modified with electron-rich tellurium functionality showed strong topographic and current peaks by STM imaging, suggesting a potential strategy to directly image DNA without structural perturbation.« less

Synthesis, structure and imaging of oligodeoxyribonucleotides with tellurium-nucleobase derivatization

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

Sheng, J.; Soares, A.; Hassan, A. E. A.

2011-05-01

We report here the first synthesis of 5-phenyl-telluride-thymidine derivatives and the Te-phosphoramidite. We also report here the synthesis, structure and STM current-imaging studies of DNA oligonucleotides containing the nucleobases (thymine) derivatized with 5-phenyl-telluride functionality (5-Te). Our results show that the 5-Te-DNA is stable, and that the Te-DNA duplex has the thermo-stability similar to the corresponding native duplex. The crystal structure indicates that the 5-Te-DNA duplex structure is virtually identical to the native one, and that the Te-modified T and native A interact similarly to the native T and A pair. Furthermore, while the corresponding native showed weak signals, the DNAmore » duplex modified with electron-rich tellurium functionality showed strong topographic and current peaks by STM imaging, suggesting a potential strategy to directly image DNA without structural perturbation.« less

Search for neutrino point sources with ANTARES 2007-2012 data

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

Zornoza, J. D.

2014-11-18

Neutrinos are unique probes to study the high energy Universe, since they are neutral, only interact weakly and are stable. Furthermore, they can provide key information about several fundamental questions in Physics like the origin of cosmic rays and the nature of dark matter. The ANTARES neutrino telescope, installed in the Mediterranean Sea, has been taking data since 2007. In this paper we review the results concerning the search for point sources of cosmic neutrinos, using data of 2007–2012. Two main strategies have been followed: to look towards the direction of sources candidate to emmit neutrinos and to make anmore » all-sky scan. Although no significant cluster has been found above the background, flux limits have been set at the level of E{sup 2}φν{sup 90CL}∼1–2×10{sup −8} GeV cm{sup −}2s{sup −1}.« less

The Effect of Three-Dimensional Freestream Disturbances on the Supersonic Flow Past a Wedge

NASA Technical Reports Server (NTRS)

Duck, Peter W.; Lasseigne, D. Glenn; Hussaini, M. Y.

1997-01-01

The interaction between a shock wave (attached to a wedge) and small amplitude, three-dimensional disturbances of a uniform, supersonic, freestream flow are investigated. The paper extends the two-dimensional study of Duck et al, through the use of vector potentials, which render the problem tractable by the same techniques as in the two-dimensional case, in particular by expansion of the solution by means of a Fourier-Bessel series, in appropriately chosen coordinates. Results are presented for specific classes of freestream disturbances, and the study shows conclusively that the shock is stable to all classes of disturbances (i.e. time periodic perturbations to the shock do not grow downstream), provided the flow downstream of the shock is supersonic (loosely corresponding to the weak shock solution). This is shown from our numerical results and also by asymptotic analysis of the Fourier-Bessel series, valid far downstream of the shock.

Stably Stratified Atmospheric Boundary Layers

NASA Astrophysics Data System (ADS)

Mahrt, L.

2014-01-01

Atmospheric boundary layers with weak stratification are relatively well described by similarity theory and numerical models for stationary horizontally homogeneous conditions. With common strong stratification, similarity theory becomes unreliable. The turbulence structure and interactions with the mean flow and small-scale nonturbulent motions assume a variety of scenarios. The turbulence is intermittent and may no longer fully satisfy the usual conditions for the definition of turbulence. Nonturbulent motions include wave-like motions and solitary modes, two-dimensional vortical modes, microfronts, intermittent drainage flows, and a host of more complex structures. The main source of turbulence may not be at the surface, but rather may result from shear above the surface inversion. The turbulence is typically not in equilibrium with the nonturbulent motions, sometimes preventing the formation of an inertial subrange. New observational and analysis techniques are expected to advance our understanding of the very stable boundary layer.

Weak lensing probe of cubic Galileon model

NASA Astrophysics Data System (ADS)

Dinda, Bikash R.

2018-06-01

The cubic Galileon model containing the lowest non-trivial order action of the full Galileon action can produce the stable late-time cosmic acceleration. This model can have a significant role in the growth of structures. The signatures of the cubic Galileon model in the structure formation can be probed by the weak lensing statistics. Weak lensing convergence statistics is one of the strongest probes to the structure formation and hence it can probe the dark energy or modified theories of gravity models. In this work, we investigate the detectability of the cubic Galileon model from the ΛCDM model or from the canonical quintessence model through the convergence power spectrum and bi-spectrum.

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)

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.

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.

A Study of Strong Stability of Distributed Systems. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Cataltepe, Tayfun

1989-01-01

The strong stability of distributed systems is studied and the problem of characterizing strongly stable semigroups of operators associated with distributed systems is addressed. Main emphasis is on contractive systems. Three different approaches to characterization of strongly stable contractive semigroups are developed. The first one is an operator theoretical approach. Using the theory of dilations, it is shown that every strongly stable contractive semigroup is related to the left shift semigroup on an L(exp 2) space. Then, a decomposition for the state space which identifies strongly stable and unstable states is introduced. Based on this decomposition, conditions for a contractive semigroup to be strongly stable are obtained. Finally, extensions of Lyapunov's equation for distributed parameter systems are investigated. Sufficient conditions for weak and strong stabilities of uniformly bounded semigroups are obtained by relaxing the equivalent norm condition on the right hand side of the Lyanupov equation. These characterizations are then applied to the problem of feedback stabilization. First, it is shown via the state space decomposition that under certain conditions a contractive system (A,B) can be strongly stabilized by the feedback -B(*). Then, application of the extensions of the Lyapunov equation results in sufficient conditions for weak, strong, and exponential stabilizations of contractive systems by the feedback -B(*). Finally, it is shown that for a contractive system, the first derivative of x with respect to time = Ax + Bu (where B is any linear bounded operator), there is a related linear quadratic regulator problem and a corresponding steady state Riccati equation which always has a bounded nonnegative solution.

Chemistry and temperature-assisted dehydrogenation of C60H30 molecules on TiO2(110) surfaces

NASA Astrophysics Data System (ADS)

Sánchez-Sánchez, Carlos; Martínez, José Ignacio; Lanzilotto, Valeria; Biddau, Giulio; Gómez-Lor, Berta; Pérez, Rubén; Floreano, Luca; López, María Francisca; Martín-Gago, José Ángel

2013-10-01

The thermal induced on-surface chemistry of large polycyclic aromatic hydrocarbons (PAHs) deposited on dielectric substrates is very rich and complex. We evidence temperature-assisted (cyclo)dehydrogenation reactions for C60H30 molecules and the subsequent bottom-up formation of assembled nanostructures, such as nanodomes, on the TiO2(110) surface. To this aim we have deposited, under ultra-high vacuum, a submonolayer coverage of C60H30 and studied, by a combination of experimental techniques (STM, XPS and NEXAFS) and theoretical methods, the different chemical on-surface interaction stages induced by the increasing temperature. We show that room temperature adsorbed molecules exhibit a weak interaction and freely diffuse on the surface, as previously reported for other aromatics. Nevertheless, a slight annealing induces a transition from this (meta)stable configuration into chemisorbed molecules. This adsorbate-surface interaction deforms the C60H30 molecular structure and quenches surface diffusion. Higher annealing temperatures lead to partial dehydrogenation, in which the molecule loses some of the hydrogen atoms and LUMO levels spread in the gap inducing a net total energy gain. Further annealing, up to around 750 K, leads to complete dehydrogenation. At these temperatures the fully dehydrogenated molecules link between them in a bottom-up coupling, forming nanodomes or fullerene-like monodisperse species readily on the dielectric surface. This work opens the door to the use of on-surface chemistry to generate new bottom-up tailored structures directly on high-K dielectric surfaces.The thermal induced on-surface chemistry of large polycyclic aromatic hydrocarbons (PAHs) deposited on dielectric substrates is very rich and complex. We evidence temperature-assisted (cyclo)dehydrogenation reactions for C60H30 molecules and the subsequent bottom-up formation of assembled nanostructures, such as nanodomes, on the TiO2(110) surface. To this aim we have deposited, under ultra-high vacuum, a submonolayer coverage of C60H30 and studied, by a combination of experimental techniques (STM, XPS and NEXAFS) and theoretical methods, the different chemical on-surface interaction stages induced by the increasing temperature. We show that room temperature adsorbed molecules exhibit a weak interaction and freely diffuse on the surface, as previously reported for other aromatics. Nevertheless, a slight annealing induces a transition from this (meta)stable configuration into chemisorbed molecules. This adsorbate-surface interaction deforms the C60H30 molecular structure and quenches surface diffusion. Higher annealing temperatures lead to partial dehydrogenation, in which the molecule loses some of the hydrogen atoms and LUMO levels spread in the gap inducing a net total energy gain. Further annealing, up to around 750 K, leads to complete dehydrogenation. At these temperatures the fully dehydrogenated molecules link between them in a bottom-up coupling, forming nanodomes or fullerene-like monodisperse species readily on the dielectric surface. This work opens the door to the use of on-surface chemistry to generate new bottom-up tailored structures directly on high-K dielectric surfaces. Electronic supplementary information (ESI) available. See DOI: 10.1039/c3nr03706a

The glycan-mediated mechanism on the interactions of gp120 with CD4 and antibody: Insights from molecular dynamics simulation.

PubMed

Zhang, Yan; Niu, Yuzhen; Tian, Jiaqi; Liu, Xuewei; Yao, Xiaojun; Liu, Huanxiang

2017-12-01

N-linked glycans such as 234 and 276 gp 120 glycans are vital components of HIV evasion from humoral immunity and important for HIV-1 neutralization of many broadly neutralizing antibodies (bNAbs). However, it is unknown the action mechanism of two glycans. To investigate the roles of the glycans on the interactions of gp120 with CD4 and antibody, molecular dynamic simulations based on gp120-CD4-8ANC195 complex with 234 and 276 gp 120 glycans, 234 gp 120 glycan, 276 gp 120 glycan, and without glycan were performed. Our results reveal that 276 gp 120 glycan can enhance gp120-CD4 and gp120-antibody interactions through the formation of hydrogen bonds of the glycan with CD4 and antibody and make the binding interface of gp120, CD4 and antibody stable; 234 gp 120 glycan primarily reinforces gp120-antibody interactions and weakly affects gp120-CD4 interactions as it mainly lies between gp120 and antibody. The co-operating of two glycans can enhance gp120-CD4 and gp120-antibody associations. Through the structural analysis, it can be seen that 234 gp 120 glycan leads to moving upward of two glycans and the variable region of heavy chain, which is favorable for the interactions of gp120 with CD4 and antibody. The information obtained in this study can provide the guidance for design vaccines and small molecule inhibitors. © 2017 John Wiley & Sons A/S.

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

Thermodynamics and NMR studies on Duck, Heron and Human HBV encapsidation signals

PubMed Central

Girard, Frederic C.; Ottink, Otmar M.; Ampt, Kirsten A.M.; Tessari, Marco; Wijmenga, Sybren S.

2007-01-01

Hepatitis B virus (HBV) replication is initiated by binding of its reverse transcriptase (P) to the apical stem-loop (AL) and primer loop (PL) of epsilon, a highly conserved RNA element at the 5′-end of the RNA pregenome. Mutation studies on duck/heron and human in vitro systems have shown similarities but also differences between their P–epsilon interaction. Here, NMR and UV thermodynamic data on AL (and PL) from these three species are presented. The stabilities of the duck and heron ALs were found to be similar, and much lower than that of human. NMR data show that this low stability stems from an 11-nt internal bulge destabilizing the stem of heron AL. In duck, although structured at low temperature, this region also forms a weak point as its imino resonances broaden to disappearance between 30 and 35°C well below the overall AL melting temperature. Surprisingly, the duck- and heron ALs were both found to be capped by a stable well-structured UGUU tetraloop. All avian ALs are expected to adhere to this because of their conserved sequence. Duck PL is stable and structured and, in view of sequence similarities, the same is expected for heron - and human PL. PMID:17430968

Study of iridium silicide monolayers using density functional theory

NASA Astrophysics Data System (ADS)

Popis, Minh D.; Popis, Sylvester V.; Oncel, Nuri; Hoffmann, Mark R.; ćakır, Deniz

2018-02-01

In this study, we investigated physical and electronic properties of possible two-dimensional structures formed by Si (silicon) and Ir (iridium). To this end, different plausible structures were modeled by using density functional theory and the cohesive energies calculated for the geometry of optimized structures, with the lowest equilibrium lattice constants. Among several candidate structures, we identified three mechanically (via elastic constants and Young's modulus), dynamically (via phonon calculations), and thermodynamically stable iridium silicide monolayer structures. The lowest energy structure has a chemical formula of Ir2Si4 (called r-IrSi2), with a rectangular lattice (Pmmn space group). Its cohesive energy was calculated to be -0.248 eV (per IrSi2 unit) with respect to bulk Ir and bulk Si. The band structure indicates that the Ir2Si4 monolayer exhibits metallic properties. Other stable structures have hexagonal (P-3m1) and tetragonal (P4/nmm) cell structures with 0.12 and 0.20 eV/f.u. higher cohesive energies, respectively. Our calculations showed that Ir-Si monolayers are reactive. Although O2 molecules exothermically dissociate on the surface of the free-standing iridium silicide monolayers with large binding energies, H2O molecules bind to the monolayers with a rather weak interaction.

Global analysis of protein folding using massively parallel design, synthesis and testing

PubMed Central

Rocklin, Gabriel J.; Chidyausiku, Tamuka M.; Goreshnik, Inna; Ford, Alex; Houliston, Scott; Lemak, Alexander; Carter, Lauren; Ravichandran, Rashmi; Mulligan, Vikram K.; Chevalier, Aaron; Arrowsmith, Cheryl H.; Baker, David

2017-01-01

Proteins fold into unique native structures stabilized by thousands of weak interactions that collectively overcome the entropic cost of folding. Though these forces are “encoded” in the thousands of known protein structures, “decoding” them is challenging due to the complexity of natural proteins that have evolved for function, not stability. Here we combine computational protein design, next-generation gene synthesis, and a high-throughput protease susceptibility assay to measure folding and stability for over 15,000 de novo designed miniproteins, 1,000 natural proteins, 10,000 point-mutants, and 30,000 negative control sequences, identifying over 2,500 new stable designed proteins in four basic folds. This scale—three orders of magnitude greater than that of previous studies of design or folding—enabled us to systematically examine how sequence determines folding and stability in uncharted protein space. Iteration between design and experiment increased the design success rate from 6% to 47%, produced stable proteins unlike those found in nature for topologies where design was initially unsuccessful, and revealed subtle contributions to stability as designs became increasingly optimized. Our approach achieves the long-standing goal of a tight feedback cycle between computation and experiment, and promises to transform computational protein design into a data-driven science. PMID:28706065

Characteristics of lentiviral vectors harboring the proximal promoter of the vav proto-oncogene: a weak and efficient promoter for gene therapy.

PubMed

Almarza, Elena; Río, Paula; Meza, Nestor W; Aldea, Montserrat; Agirre, Xabier; Guenechea, Guillermo; Segovia, José C; Bueren, Juan A

2007-08-01

Recent published data have shown the efficacy of gene therapy treatments of certain monogenic diseases. Risks of insertional oncogenesis, however, indicate the necessity of developing new vectors with weaker or cell-restricted promoters to minimize the trans-activation activity of integrated proviruses. We have inserted the proximal promoter of the vav proto-oncogene into self-inactivating lentiviral vectors (vav-LVs) and investigated the expression pattern and therapeutic efficacy of these vectors. Compared with other LVs frequently used in gene therapy, vav-LVs mediated a weak, though homogeneous and stable, expression in in vitro-cultured cells. Transplantation experiments using transduced mouse bone marrow and human CD34(+) cells confirmed the stable activity of the promoter in vivo. To investigate whether the weak activity of this promoter was compatible with a therapeutic effect, a LV expressing the Fanconi anemia A (FANCA) gene was constructed (vav-FANCA LV). Although this vector induced a low expression of FANCA, compared to the expression induced by a LV harboring the spleen focus-forming virus (SFFV) promoter, the two vectors corrected the phenotype of cells from a patient with FA-A with the same efficacy. We propose that self-inactivating vectors harboring weak promoters, such as the vav promoter, will improve the safety of gene therapy and will be of particular interest for the treatment of diseases where a high expression of the transgene is not required.

Stability of cosmological detonation fronts

NASA Astrophysics Data System (ADS)

Mégevand, Ariel; Membiela, Federico Agustín

2014-05-01

The steady-state propagation of a phase-transition front is classified, according to hydrodynamics, as a deflagration or a detonation, depending on its velocity with respect to the fluid. These propagation modes are further divided into three types, namely, weak, Jouguet, and strong solutions, according to their disturbance of the fluid. However, some of these hydrodynamic modes will not be realized in a phase transition. One particular cause is the presence of instabilities. In this work we study the linear stability of weak detonations, which are generally believed to be stable. After discussing in detail the weak detonation solution, we consider small perturbations of the interface and the fluid configuration. When the balance between the driving and friction forces is taken into account, it turns out that there are actually two different kinds of weak detonations, which behave very differently as functions of the parameters. We show that the branch of stronger weak detonations are unstable, except very close to the Jouguet point, where our approach breaks down.

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

Quantum Multicriticality near the Dirac-Semimetal to Band-Insulator Critical Point in Two Dimensions: A Controlled Ascent from One Dimension

NASA Astrophysics Data System (ADS)

Roy, Bitan; Foster, Matthew S.

2018-01-01

We compute the effects of generic short-range interactions on gapless electrons residing at the quantum critical point separating a two-dimensional Dirac semimetal and a symmetry-preserving band insulator. The electronic dispersion at this critical point is anisotropic (Ek=±√{v2kx2+b2ky2 n } with n =2 ), which results in unconventional scaling of thermodynamic and transport quantities. Because of the vanishing density of states [ϱ (E )˜|E |1 /n ], this anisotropic semimetal (ASM) is stable against weak short-range interactions. However, for stronger interactions, the direct Dirac-semimetal to band-insulator transition can either (i) become a fluctuation-driven first-order transition (although unlikely in a particular microscopic model considered here, the anisotropic honeycomb lattice extended Hubbard model) or (ii) get avoided by an intervening broken-symmetry phase. We perform a controlled renormalization group analysis with the small parameter ɛ =1 /n , augmented with a 1 /n expansion (parametrically suppressing quantum fluctuations in the higher dimension) by perturbing away from the one-dimensional limit, realized by setting ɛ =0 and n →∞ . We identify charge density wave (CDW), antiferromagnet (AFM), and singlet s -wave superconductivity as the three dominant candidates for broken symmetry. The onset of any such order at strong coupling (˜ɛ ) takes place through a continuous quantum phase transition across an interacting multicritical point, where the ordered phase, band insulator, Dirac, and anisotropic semimetals meet. We also present the phase diagram of an extended Hubbard model for the ASM, obtained via the controlled deformation of its counterpart in one dimension. The latter displays spin-charge separation and instabilities to CDW, spin density wave, and Luther-Emery liquid phases at arbitrarily weak coupling. The spin density wave and Luther-Emery liquid phases deform into pseudospin SU(2)-symmetric quantum critical points separating the ASM from the AFM and superconducting orders, respectively. Our phase diagram shows an intriguing interplay among CDW, AFM, and s -wave paired states that can be germane for a uniaxially strained optical honeycomb lattice for ultracold fermion atoms, or the organic compound α -(BEDT -TTF )2I3 .

The insertion and transport of anandamide in synthetic lipid membranes are both cholesterol-dependent.

PubMed

Di Pasquale, Eric; Chahinian, Henri; Sanchez, Patrick; Fantini, Jacques

2009-01-01

Anandamide is a lipid neurotransmitter which belongs to a class of molecules termed the endocannabinoids involved in multiple physiological functions. Anandamide is readily taken up into cells, but there is considerable controversy as to the nature of this transport process (passive diffusion through the lipid bilayer vs. involvement of putative proteic transporters). This issue is of major importance since anandamide transport through the plasma membrane is crucial for its biological activity and intracellular degradation. The aim of the present study was to evaluate the involvement of cholesterol in membrane uptake and transport of anandamide. Molecular modeling simulations suggested that anandamide can adopt a shape that is remarkably complementary to cholesterol. Physicochemical studies showed that in the nanomolar concentration range, anandamide strongly interacted with cholesterol monolayers at the air-water interface. The specificity of this interaction was assessed by: i) the lack of activity of structurally related unsaturated fatty acids (oleic acid and arachidonic acid at 50 nM) on cholesterol monolayers, and ii) the weak insertion of anandamide into phosphatidylcholine or sphingomyelin monolayers. In agreement with these data, the presence of cholesterol in reconstituted planar lipid bilayers triggered the stable insertion of anandamide detected as an increase in bilayer capacitance. Kinetics transport studies showed that pure phosphatidylcholine bilayers were weakly permeable to anandamide. The incorporation of cholesterol in phosphatidylcholine bilayers dose-dependently stimulated the translocation of anandamide. Our results demonstrate that cholesterol stimulates both the insertion of anandamide into synthetic lipid monolayers and bilayers, and its transport across bilayer membranes. In this respect, we suggest that besides putative anandamide protein-transporters, cholesterol could be an important component of the anandamide transport machinery. Finally, this study provides a mechanistic explanation for the key regulatory activity played by membrane cholesterol in the responsiveness of cells to anandamide.

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.

Nanocomposites from Stable Dispersions of Carbon Nanotubes in Polymeric Matrices Using Dispersion Interaction

NASA Technical Reports Server (NTRS)

Wise, Kristopher Eric (Inventor); Park, Cheol (Inventor); Kang, Jin Ho (Inventor); Siochi, Emilie J. (Inventor); Harrison, Joycelyn S. (Inventor)

2016-01-01

Stable dispersions of carbon nanotubes (CNTs) in polymeric matrices include CNTs dispersed in a host polymer or copolymer whose monomers have delocalized electron orbitals, so that a dispersion interaction results between the host polymer or copolymer and the CNTs dispersed therein. Nanocomposite products, which are presented in bulk, or when fabricated as a film, fiber, foam, coating, adhesive, paste, or molding, are prepared by standard means from the present stable dispersions of CNTs in polymeric matrices, employing dispersion interactions, as presented hereinabove.

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.

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.

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.

Distinguishing Motor Weakness From Impaired Spatial Awareness: A Helping Hand!

PubMed

Raju, Suneil A; Swift, Charles R; Bardhan, Karna Dev

2017-01-01

Our patient, aged 73 years, had background peripheral neuropathy of unknown cause, stable for several years, which caused some difficulty in walking on uneven ground. He attended for a teaching session but now staggered in, a new development. He had apparent weakness of his right arm, but there was difficulty in distinguishing motor weakness from impaired spatial awareness suggestive of parietal lobe dysfunction. With the patient seated, eyes closed, and left arm outstretched, S.A.R. lifted the patient's right arm and asked him to indicate when both were level. This confirmed motor weakness. Urgent computed tomographic scan confirmed left subdural haematoma and its urgent evacuation rapidly resolved the patient's symptoms. Intrigued by our patient's case, we explored further and learnt that in rehabilitation medicine, the awareness of limb position is commonly viewed in terms of joint position sense. We present recent literature evidence indicating that the underlying mechanisms are more subtle.

Distinguishing Motor Weakness From Impaired Spatial Awareness: A Helping Hand!

PubMed Central

Raju, Suneil A; Swift, Charles R; Bardhan, Karna Dev

2017-01-01

Our patient, aged 73 years, had background peripheral neuropathy of unknown cause, stable for several years, which caused some difficulty in walking on uneven ground. He attended for a teaching session but now staggered in, a new development. He had apparent weakness of his right arm, but there was difficulty in distinguishing motor weakness from impaired spatial awareness suggestive of parietal lobe dysfunction. With the patient seated, eyes closed, and left arm outstretched, S.A.R. lifted the patient’s right arm and asked him to indicate when both were level. This confirmed motor weakness. Urgent computed tomographic scan confirmed left subdural haematoma and its urgent evacuation rapidly resolved the patient’s symptoms. Intrigued by our patient’s case, we explored further and learnt that in rehabilitation medicine, the awareness of limb position is commonly viewed in terms of joint position sense. We present recent literature evidence indicating that the underlying mechanisms are more subtle. PMID:28579860

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.

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.

Optimal balance of the striatal medium spiny neuron network.

PubMed

Ponzi, Adam; Wickens, Jeffery R

2013-04-01

Slowly varying activity in the striatum, the main Basal Ganglia input structure, is important for the learning and execution of movement sequences. Striatal medium spiny neurons (MSNs) form cell assemblies whose population firing rates vary coherently on slow behaviourally relevant timescales. It has been shown that such activity emerges in a model of a local MSN network but only at realistic connectivities of 10 ~ 20% and only when MSN generated inhibitory post-synaptic potentials (IPSPs) are realistically sized. Here we suggest a reason for this. We investigate how MSN network generated population activity interacts with temporally varying cortical driving activity, as would occur in a behavioural task. We find that at unrealistically high connectivity a stable winners-take-all type regime is found where network activity separates into fixed stimulus dependent regularly firing and quiescent components. In this regime only a small number of population firing rate components interact with cortical stimulus variations. Around 15% connectivity a transition to a more dynamically active regime occurs where all cells constantly switch between activity and quiescence. In this low connectivity regime, MSN population components wander randomly and here too are independent of variations in cortical driving. Only in the transition regime do weak changes in cortical driving interact with many population components so that sequential cell assemblies are reproducibly activated for many hundreds of milliseconds after stimulus onset and peri-stimulus time histograms display strong stimulus and temporal specificity. We show that, remarkably, this activity is maximized at striatally realistic connectivities and IPSP sizes. Thus, we suggest the local MSN network has optimal characteristics - it is neither too stable to respond in a dynamically complex temporally extended way to cortical variations, nor is it too unstable to respond in a consistent repeatable way. Rather, it is optimized to generate stimulus dependent activity patterns for long periods after variations in cortical excitation.

Optimal Balance of the Striatal Medium Spiny Neuron Network

PubMed Central

Ponzi, Adam; Wickens, Jeffery R.

2013-01-01

Slowly varying activity in the striatum, the main Basal Ganglia input structure, is important for the learning and execution of movement sequences. Striatal medium spiny neurons (MSNs) form cell assemblies whose population firing rates vary coherently on slow behaviourally relevant timescales. It has been shown that such activity emerges in a model of a local MSN network but only at realistic connectivities of and only when MSN generated inhibitory post-synaptic potentials (IPSPs) are realistically sized. Here we suggest a reason for this. We investigate how MSN network generated population activity interacts with temporally varying cortical driving activity, as would occur in a behavioural task. We find that at unrealistically high connectivity a stable winners-take-all type regime is found where network activity separates into fixed stimulus dependent regularly firing and quiescent components. In this regime only a small number of population firing rate components interact with cortical stimulus variations. Around connectivity a transition to a more dynamically active regime occurs where all cells constantly switch between activity and quiescence. In this low connectivity regime, MSN population components wander randomly and here too are independent of variations in cortical driving. Only in the transition regime do weak changes in cortical driving interact with many population components so that sequential cell assemblies are reproducibly activated for many hundreds of milliseconds after stimulus onset and peri-stimulus time histograms display strong stimulus and temporal specificity. We show that, remarkably, this activity is maximized at striatally realistic connectivities and IPSP sizes. Thus, we suggest the local MSN network has optimal characteristics – it is neither too stable to respond in a dynamically complex temporally extended way to cortical variations, nor is it too unstable to respond in a consistent repeatable way. Rather, it is optimized to generate stimulus dependent activity patterns for long periods after variations in cortical excitation. PMID:23592954

Weak Perturbations of Biochemical Oscillators

NASA Astrophysics Data System (ADS)

Gailey, Paul

2001-03-01

Biochemical oscillators may play important roles in gene regulation, circadian rhythms, physiological signaling, and sensory processes. These oscillations typically occur inside cells where the small numbers of reacting molecules result in fluctuations in the oscillation period. Some oscillation mechanisms have been reported that resist fluctuations and produce more stable oscillations. In this paper, we consider the use of biochemical oscillators as sensors by comparing inherent fluctuations with the effects of weak perturbations to one of the reactants. Such systems could be used to produce graded responses to weak stimuli. For example, a leading hypothesis to explain geomagnetic navigation in migrating birds and other animals is based on magnetochemical reactions. Because the magnitude of magnetochemical effects is small at geomagnetic field strengths, a sensitive, noise resistant detection scheme would be required.

A water stable europium coordination polymer as fluorescent sensor for detecting Fe3+, CrO42-, and Cr2O72- ions

NASA Astrophysics Data System (ADS)

Chen, Chen; Zhang, Xiaolei; Gao, Peng; Hu, Ming

2018-02-01

A europium coordination polymer constructed by the 4‧-(4-carboxyphenyl)- 2,2‧:6‧,2″-terpyridine ligand (HL), namely, [EuL(CH3COO)Cl]n (1), has been prepared by the solvothermal method. Compound 1 was structurally characterized by the elemental analysis, FT-IR, powder X-ray diffractions (PXRD), thermogravimetric (TG) analysis, and single-crystal X-ray diffraction. Complex 1 displays a novel linear chain structure, which further extends to the 3D supramolecular structure via π···π and hydrogen bonds interactions. The luminescent properties of 1 were investigated in detail, which exhibit the fluorescent sensing for detecting Fe3+, CrO42-, and Cr2O72- ions in aqueous solution, respectively. In addition, 1 shows high sensitive and selective sensing for CrO42- and Cr2O72- anions with the great quenching efficiency. Furthermore, the luminescent sensing mechanisms of differentiating analytes are explored in detail. It is worth noting that there exists the weak interaction between Fe3+ ions and carboxylate oxygen atoms of CH3COO- groups through XPS characterization, resulting in the high quenching effect of 1.

Shape-designed single-polymer micelles: a proof-of-concept simulation

NASA Astrophysics Data System (ADS)

Moths, Brian; Witten, Thomas A.

Much effort has been directed towards self-assembling nanostructures. Strong, local interactions between specific building blocks often determine these structures (e.g., globular proteins). We seek to produce designed structures that are instead determined by collective effects of weak interactions (e.g., surfactant self-assembly). Such structures may reversibly change conformation or disassemble in response to changing solvent conditions, and, being soft, have potential to adapt to fluctuating or unknown application-imposed shape requirements. Concretely, we aim to realize such a structure in the form of a single polymer micelle--an amphiphilic polymer exhibiting a condensed, phase-segregated conformation when immersed in solvent. Connecting all amphiphiles into a single chain provides geometric constraints controlling the surface curvature profile, thus dictating a non-trivial shape. We present 2D Monte Carlo simulation results demonstrating the feasibility of such soft, shape-designed micelles. Preliminary results demonstrate a stable concave ``dimple'' in a micelle composed of a single A-B multiblock linear copolymer. We discuss both current limitations on shape robustness and effects of block asymmetry, block molecular weights and overall chain length on micelle shape. This work was supported in part by the National Science Foundation's MRSEC Program under Award Number DMR-1420709.

Graphene/MoS2 heterostructures as templates for growing two-dimensional metals: Predictions from ab initio calculations

NASA Astrophysics Data System (ADS)

Šljivančanin, Željko; Belić, Milivoj

2017-09-01

Preparation of single-atom-thick layers of ordinary metals has been a challenging task since their closely packed atoms lack layered structure with highly anisotropic bonding. Using computational modeling based on density functional theory we showed that graphene/MoS2 heterostructures can be used as suitable templates to grow stable two-dimensional (2D) clusters, as well as extended monoatomic layers of metals with nonlayered structure in the bulk. Considering gold and lithium as two metals with markedly different properties, we found that Li intercalants strengthen coupling between graphene (G) and MoS2, mainly due to electrostatic attraction of 2D materials with positively charged Li atoms. However, intercalation with large Au atoms gives rise to a significant increase in the distance between G and MoS2 and thus, weakens their interaction. In addition to strong preference for 2D growth, we demonstrated that Au intercalants weakly interact with both G and MoS2, and hence G /MoS2 vertical heterostructures could be a promising framework to prepare gold 2D structures with electronic properties closely resembling those of the hypothetical free-standing hexagonal gold monolayer.

The stability of DOTA-chelated radiopharmaceuticals within 225Ac decay pathway studied with density functional theory.

NASA Astrophysics Data System (ADS)

Karolak, Aleksandra; Khabibullin, Artem; Budzevich, Mikalai; Martinez, M.; Doliganski, Michael; McLaughlin, Mark; Woods, Lilia; Morse, David

Ligand structures encapsulating metal ions play a central role as contrast agents in Magnetic Resonance Imaging (MRI) or as agents delivering toxic cargo directly to tumor cells in targeted cancer therapy. The structural stability and interaction with solutions of such complexes are the key elements in understanding the foundation of delivery process. We present a comparative study for the 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid (DOTA) chelated to radioactive isotopes of 225Ac, 221Fr, 217At, 213Bi and a control 68Gd. Using density functional theory methods we investigate the structural stability of complexes for cancer therapy including binding energies, charge transfer, electron densities. The van der Waals interactions are included in the simulations to take into account weak dispersion forces present in such structures. Our results reveal that Ac-DOTA, Bi-DOTA and Gd-DOTA are the most stable complexes in the group. We also show that the water environment is a key ingredient for the structural coordination of the DOTA structures. Support from the US Department of Energy under Grant No. DE-FG02-06ER46297 is acknowledged.

Mesoscale pattern formation of self-propelled rods with velocity reversal

NASA Astrophysics Data System (ADS)

Großmann, Robert; Peruani, Fernando; Bär, Markus

2016-11-01

We study self-propelled particles with velocity reversal interacting by uniaxial (nematic) alignment within a coarse-grained hydrodynamic theory. Combining analytical and numerical continuation techniques, we show that the physics of this active system is essentially controlled by the reversal frequency. In particular, we find that elongated, high-density, ordered patterns, called bands, emerge via subcritical bifurcations from spatially homogeneous states. Our analysis reveals further that the interaction of bands is weakly attractive and, consequently, bands fuse upon collision in analogy with nonequilibrium nucleation processes. Moreover, we demonstrate that a renormalized positive line tension can be assigned to stable bands below a critical reversal rate, beyond which they are transversally unstable. In addition, we discuss the kinetic roughening of bands as well as their nonlinear dynamics close to the threshold of transversal instability. Altogether, the reduction of the multiparticle system onto the dynamics of bands provides a unified framework to understand the emergence and stability of nonequilibrium patterns in this self-propelled particle system. In this regard, our results constitute a proof of principle in favor of the hypothesis in microbiology that velocity reversal of gliding rod-shaped bacteria regulates the transitions between various self-organized patterns observed during the bacterial life cycle.

Enhanced gel formation in binary mixtures of nanocolloids with short-range attraction

NASA Astrophysics Data System (ADS)

Harden, James L.; Guo, Hongyu; Bertrand, Martine; Shendruk, Tyler N.; Ramakrishnan, Subramanian; Leheny, Robert L.

2018-01-01

Colloidal suspensions transform between fluid and disordered solid states as parameters such as the colloid volume fraction and the strength and nature of the colloidal interactions are varied. Seemingly subtle changes in the characteristics of the colloids can markedly alter the mechanical rigidity and flow behavior of these soft composite materials. This sensitivity creates both a scientific challenge and an opportunity for designing suspensions for specific applications. In this paper, we report a novel mechanism of gel formation in mixtures of weakly attractive nanocolloids with modest size ratio. Employing a combination of x-ray photon correlation spectroscopy, rheometry, and molecular dynamics simulations, we find that gels are stable at remarkably weaker attraction in mixtures with size ratio near two than in the corresponding monodisperse suspensions. In contrast with depletion-driven gelation at larger size ratio, gel formation in the mixtures is triggered by microphase demixing of the species into dense regions of immobile smaller colloids surrounded by clusters of mobile larger colloids that is not predicted by mean-field thermodynamic considerations. These results point to a new route for tailoring nanostructured colloidal solids through judicious combination of interparticle interaction and size distribution.

Can the periodic spectral modulations observed in 236 Sloan Sky Survey stars be due to dark matter effects?

NASA Astrophysics Data System (ADS)

Tamburini, Fabrizio; Licata, Ignazio

2017-09-01

The search for dark matter (DM) is one of the most active and challenging areas of current research. Possible DM candidates are ultralight fields such as axions and weak interacting massive particles (WIMPs). Axions piled up in the center of stars are supposed to generate matter/DM configurations with oscillating geometries at a very rapid frequency, which is a multiple of the axion mass m B (Brito et al (2015); Brito et al (2016)). Borra and Trottier (2016) recently found peculiar ultrafast periodic spectral modulations in 236 main sequence stars in the sample of 2.5 million spectra of galactic halo stars of the Sloan Digital Sky Survey (˜1% of main sequence stars in the F-K spectral range) that were interpreted as optical signals from extraterrestrial civilizations, suggesting them as possible candidates for the search for extraterrestrial intelligence (SETI) program. We argue, instead, that this could be the first indirect evidence of bosonic axion-like DM fields inside main sequence stars, with a stable radiative nucleus, where a stable DM core can be hosted. These oscillations were not observed in earlier stellar spectral classes probably because of the impossibility of starting a stable oscillatory regime due to the presence of chaotic motions in their convective nuclei. The axion mass values, (50< {m}B< 2.4× {10}3) μ {eV}, obtained from the frequency range observed by Borra and Trottier, (0.6070< f< 0.6077) THz, agree with the recent theoretical results from high-temperature lattice quantum chromodynamics (Borsanyi et al (2016); Borsanyi et al (2016b)).

Phenomenology and Astrophysics of Gravitationally-Bound Condensates of Axion-Like Particles

NASA Astrophysics Data System (ADS)

Eby, Joshua Armstrong

Light, spin-0 particles are ubiquitous in theories of physics beyond the Standard Model, and many of these make good candidates for the identity of dark matter. One very well-motivated candidate of this type is the axion. Due to their small mass and adherence to Bose statistics, axions can coalesce into heavy, gravitationally-bound condensates known as boson stars, also known as axion stars (in particular). In this work, we outline our recent progress in attempts to determine the properties of axion stars. We begin with a brief overview of the Standard Model, axions, and bosonic condensates in general. Then, in the context of axion stars, we will present our recent work, which includes: numerical estimates of the macroscopic properties (mass, radius, and particle number) of gravitationally stable axion stars; a calculation of their decay lifetime through number-changing interactions; an analysis of the gravitational collapse process for very heavy states; and an investigation of the implications of axion stars as dark matter. The basic conclusions of our work are that weakly-bound axion stars are only stable up to some calculable maximum mass, whereas states with larger masses collapse to a small radius, but do not form black holes. During collapse, a rapidly increasing binding energy implies a fast rate of decay to relativistic particles, giving rise to a Bosenova. Axion stars that are otherwise stable could be caused to collapse either by accretion of free particles to masses above the maximum, or through astrophysical collisions; in the latter case, we estimate the rate of collisions and the parameter space relevant to induced collapse.

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.

Pulsed polarization spectroscopy with strong fields and an optically thick sample

NASA Astrophysics Data System (ADS)

Spano, Frank C.; Lehmann, Kevin K.

1992-06-01

The theory of pulsed polarization spectroscopy in the case of a saturating pump pulse and an optically thick sample is presented, both with and without inhomogeneous broadening. It is found that the molecular anisotropy produced by pumping an R- or P-branch transition is maximized by using a pulse whose flip angle is near 2π for the M component with the largest Rabi frequency. Calculations with no or extreme inhomogeneous broadening differ insignificantly. Such a pump pulse produces an anisotropy (and thus polarization rotation of the probe beam) of the opposite sign of that produced by weak-field excitation. Pulse-propagation calculations obtained by numerically solving the coupled Maxwell-Bloch equations demonstrate that there exist ``stable-area'' pulses, much like for a two-level system. The lowest such stable pulse produces a flip angle of 2.21π for the M=0 level and produces close to the maximum polarization anisotropy. This pulse still weakly excites the sample, and thus lengthens as it propagates to conserve area. The effective absorption coefficient, however, is much less than that for weak pulses. It is expected that such pulses should provide an order of magnitude or more sensitivity for polarization spectroscopy than that obtained with nonsaturating pulses.

Interactions of β-Lactamases with Sanfetrinem (GV 104326) Compared to Those with Imipenem and with Oral β-Lactams

PubMed Central

Babini, Gioia S.; Yuan, Meifang; Livermore, David M.

1998-01-01

Sanfetrinem is a trinem β-lactam which can be administered orally as a hexatil ester. We examined whether its β-lactamase interactions resembled those of the available carbapenems, i.e., stable to AmpC and extended-spectrum β-lactamases but labile to class B and functional group 2f enzymes. The comparator drugs were imipenem, oral cephalosporins, and amoxicillin. MICs were determined for β-lactamase expression variants, and hydrolysis was examined directly with representative enzymes. Sanfetrinem was a weak inducer of AmpC β-lactamases below the MIC and had slight lability, with a kcat of 0.00033 s−1 for the Enterobacter cloacae enzyme. Its MICs for AmpC-derepressed E. cloacae and Citrobacter freundii were 4 to 8 μg/ml, compared with MICs of 0.12 to 2 μg/ml for AmpC-inducible and -basal strains; MICs for AmpC-derepressed Serratia marcescens and Morganella morganii were not raised. Cefixime and cefpodoxime were more labile than sanfetrinem to the E. cloacae AmpC enzyme, and AmpC-derepressed mutants showed much greater resistance; imipenem was more stable and retained full activity against derepressed mutants. Like imipenem, sanfetrinem was stable to TEM-1 and TEM-10 enzymes and retained full activity against isolates and transconjugants with various extended-spectrum TEM and SHV enzymes, whereas these organisms were resistant to cefixime and cefpodoxime. Sanfetrinem, like imipenem and cefixime but unlike cefpodoxime, also retained activity against Proteus vulgaris and Klebsiella oxytoca strains that hyperproduced potent chromosomal class A β-lactamases. Functional group 2f enzymes, including Sme-1, NMC-A, and an unnamed enzyme from Acinetobacter spp., increased the sanfetrinem MICs by up to 64-fold. These enzymes also compromised the activities of imipenem and amoxicillin but not those of the cephalosporins. The hydrolysis of sanfetrinem was examined with a purified Sme-1 enzyme, and biphasic kinetics were found. Finally, zinc β-lactamases, including IMP-1 and the L1 enzyme of Stenotrophomonas maltophilia, conferred resistance to sanfetrinem and all other β-lactams tested, and hydrolysis was confirmed with the IMP-1 enzyme. We conclude that sanfetrinem has β-lactamase interactions similar to those of the available carbapenems except that it is a weaker inducer of AmpC types, with some tendency to select derepressed mutants, unlike imipenem and meropenem. PMID:9593145

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.

The weak force and SETH: The search for Extra-Terrestrial Homochirality

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

MacDermott, A.J.

We propose that a search for extra-terrestrial life can be approached as a Search for Extra-Terrestrial Homochirality{emdash}SETH. Homochirality is probably a pre-condition for life, so a chiral influence may be required to get life started. We explain how the weak force mediated by the {ital Z}{sup 0} boson gives rise to a small parity-violating energy difference (PVED) between enantiomers, and discuss how the resulting small excess of the more stable enantiomer may be amplified to homochirality. Titan and comets are good places to test for emerging pre-biotic homochirality, while on Mars there may be traces of homochirality as a relicmore » of extinct life. Our calculations of the PVED show that the natural L-amino acids are indeed more stable than their enantiomers, as are several key D-sugars and right-hand helical DNA. Thiosubstituted DNA analogues show particularly large PVEDs. L-quartz is also more stable than D-quartz, and we believe that further crystal counts should be carried out to establish whether reported excesses of L quartz are real. Finding extra-terrestrial molecules of the same hand as on Earth would lend support to the universal chiral influence of the weak force. We describe a novel miniaturized space polarimeter, called the SETH Cigar, which we hope to use to detect optical rotation on other planets. Moving parts are avoided by replacing the normal rotating polarizer by multiple fixed polarizers at different angles as in the eye of the bee. Even if we do not find the same hand as on Earth, finding extra-terrestrial optical rotation would be of enormous importance as it would still be the homochiral signature of life. {copyright} {ital 1996 American Institute of Physics.}« less

The weak force and SETH: The search for Extra-Terrestrial Homochirality

NASA Astrophysics Data System (ADS)

MacDermott, Alexandra J.

1996-07-01

We propose that a search for extra-terrestrial life can be approached as a Search for Extra-Terrestrial Homochirality-SETH. Homochirality is probably a pre-condition for life, so a chiral influence may be required to get life started. We explain how the weak force mediated by the Z0 boson gives rise to a small parity-violating energy difference (PVED) between enantiomers, and discuss how the resulting small excess of the more stable enantiomer may be amplified to homochirality. Titan and comets are good places to test for emerging pre-biotic homochirality, while on Mars there may be traces of homochirality as a relic of extinct life. Our calculations of the PVED show that the natural L-amino acids are indeed more stable than their enantiomers, as are several key D-sugars and right-hand helical DNA. Thiosubstituted DNA analogues show particularly large PVEDs. L-quartz is also more stable than D-quartz, and we believe that further crystal counts should be carried out to establish whether reported excesses of L quartz are real. Finding extra-terrestrial molecules of the same hand as on Earth would lend support to the universal chiral influence of the weak force. We describe a novel miniaturized space polarimeter, called the SETH Cigar, which we hope to use to detect optical rotation on other planets. Moving parts are avoided by replacing the normal rotating polarizer by multiple fixed polarizers at different angles as in the eye of the bee. Even if we do not find the same hand as on Earth, finding extra-terrestrial optical rotation would be of enormous importance as it would still be the homochiral signature of life.

Single bumps in a 2-population homogenized neuronal network model

NASA Astrophysics Data System (ADS)

Kolodina, Karina; Oleynik, Anna; Wyller, John

2018-05-01

We investigate existence and stability of single bumps in a homogenized 2-population neural field model, when the firing rate functions are given by the Heaviside function. The model is derived by means of the two-scale convergence technique of Nguetseng in the case of periodic microvariation in the connectivity functions. The connectivity functions are periodically modulated in both the synaptic footprint and in the spatial scale. The bump solutions are constructed by using a pinning function technique for the case where the solutions are independent of the local variable. In the weakly modulated case the generic picture consists of two bumps (one narrow and one broad bump) for each admissible set of threshold values for firing. In addition, a new threshold value regime for existence of bumps is detected. Beyond the weakly modulated regime the number of bumps depends sensitively on the degree of heterogeneity. For the latter case we present a configuration consisting of three coexisting bumps. The linear stability of the bumps is studied by means of the spectral properties of a Fredholm integral operator, block diagonalization of this operator and the Fourier decomposition method. In the weakly modulated regime, one of the bumps is unstable for all relative inhibition times, while the other one is stable for small and moderate values of this parameter. The latter bump becomes unstable as the relative inhibition time exceeds a certain threshold. In the case of the three coexisting bumps detected in the regime of finite degree of heterogeneity, we have at least one stable bump (and maximum two stable bumps) for small and moderate values of the relative inhibition time.

Life stage and species identity affect whether habitat subsidies enhance or simply redistribute consumer biomass.

PubMed

Keller, Danielle A; Gittman, Rachel K; Bouchillon, Rachel K; Fodrie, F Joel

2017-10-01

Quantifying the response of mobile consumers to changes in habitat availability is essential for determining the degree to which population-level productivity is habitat limited rather than regulated by other, potentially density-independent factors. Over landscape scales, this can be explored by monitoring changes in density and foraging as habitat availability varies. As habitat availability increases, densities may: (1) decrease (unit-area production decreases; weak habitat limitation); (2) remain stable (unit-area production remains stable; habitat limitation) or (3) increase (unit-area production increases; strong habitat limitation). We tested the response of mobile estuarine consumers over 5 months to changes in habitat availability in situ by comparing densities and feeding rates on artificial reefs that were or were not adjacent to neighbouring artificial reefs or nearby natural reefs. Using either constructed or natural reefs to manipulate habitat availability, we documented threefold density decreases among juvenile stone crabs as habitat increased (i.e. weak habitat imitation). However, for adult stone crabs, density remained stable across treatments, demonstrating that habitat limitation presents a bottleneck in this species' later life history. Oyster toadfish densities also did not change with increasing habitat availability (i.e. habitat limitation), but densities of other cryptic fishes decreased as habitat availability increased (i.e. weak limitation). Feeding and abundance data suggested that some mobile fishes experience habitat limitation, or, potentially in one case, strong limitation across our habitat manipulations. These findings of significant, community-level habitat limitation provide insight into how global declines in structurally complex estuarine habitats may have reduced the fishery production of coastal ecosystems. © 2017 The Authors. Journal of Animal Ecology © 2017 British Ecological Society.

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.

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.

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.

Characterization and intramolecular bonding patterns of busulfan: Experimental and quantum chemical approach

NASA Astrophysics Data System (ADS)

Karthick, T.; Tandon, Poonam; Singh, Swapnil; Agarwal, Parag; Srivastava, Anubha

2017-02-01

The investigations of structural conformers, molecular interactions and vibrational characterization of pharmaceutical drug are helpful to understand their behaviour. In the present work, the 2D potential energy surface (PES) scan has been performed on the dihedral angles C6sbnd O4sbnd S1sbnd C5 and C25sbnd S22sbnd O19sbnd C16 to find the stable conformers of busulfan. In order to show the effects of long range interactions, the structures on the global minima of PES scan have been further optimized by B3LYP/6-311 ++G(d,p) method with and without empirical dispersion functional in Gaussian 09W package. The presence of n → σ* and σ → σ* interactions which lead to stability of the molecule have been predicted by natural bond orbital analysis. The strong and weak hydrogen bonds between the functional groups of busulfan were analyzed using quantum topological atoms in molecules analysis. In order to study the long-range forces, such as van der Waals interactions, steric effect in busulfan, the reduced density gradient as well as isosurface defining these interactions has been plotted using Multiwfn software. The spectroscopic characterization on the solid phase of busulfan has been studied by experimental FT-IR and FT-Raman spectra. From the 13C and 1H NMR spectra, the chemical shifts of individual C and H atoms of busulfan have been predicted. The maximum absorption wavelengths corresponding to the electronic transitions between the highest occupied molecular orbital and the lowest unoccupied molecular orbital of busulfan have been found by UV-vis spectrum.

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.

Lunar Paleomagnetism: The Case for an Ancient Lunar Dynamo. (Invited)

NASA Astrophysics Data System (ADS)

Fuller, M.; Weiss, B. P.; Gattacceca, J.

2010-12-01

The failure of lunar samples to satisfy minimal criteria for classical paleointensity determinations has led to skepticism of the case for an ancient lunar dynamo. There are however practical and fundamental reasons why such experiments are doomed to failure in most lunar samples. In such methods, NRMs in successive blocking temperatures ranges are thermally demagnetized and replaced with partial thermoremanent magnetization (pTRMs) given in a known field (Thellier, 1938). A practical difficulty is that it is hard to heat lunar samples without altering them. A fundamental problem is that whereas pottery, for which these methods were designed, carries a primary (TRM) from its initial cooling and little secondary magnetization, lunar samples are likely to carry weak field isothermal remanent magnetization (IRM) and shock remanent magnetization (SRM) as secondary overprints. Thermal demagnetization does not isolate weak field IRM well. For example, on thermal demagnetization of the Apollo sample 14053.48 carrying a 2000nT TRM with a superposed 5mT IRM, the IRM persists to the Curie point obscuring the TRM. Fortunately, weak field IRM is removed by AF demagnetization to fields comparable to that in which it is acquired. Furthermore, Gattacceca et al. (2008) demonstrated that experimentally generated SRM from several GPa, like weak field IRM, is demagnetized by AF fields of between ~20 and 30 mT, leaving the pre-shock remanent magnetization essentially untouched. This agrees with our theoretical understanding of SRM, which at pressures below approximately the Hugoniot elastic limit (several GPa for most rocks) should essentially be a pressure remanent magnetization (e.g., Dunlop and Ozdemir, 1997). Unlike IRM, SRM in the range of a few GPa may carry recoverable lunar field records (Gattacceca et al., 2008). NRM in samples shocked to less than ~5 GPa, which is stable against AF demagnetization beyond the fields necessary to eliminate weak SRM (~20-30 mT), requires some other explanation. Such NRM carried by the small amount of single domain iron and iron nickel present in the samples can be very stable. The troctolite 76535 is an example of such a sample. It cooled over thousands of years, or longer, which is far too long for any possible transient fields associated with impacts and must carry a TRM like NRM. Note that despite predictions that even km sized craters may generate fields up to 0.1T at 1 crater radius, no unambiguous evidence for paleomagnetic recording of such fields over individual craters has materialized. There are numerous other candidate samples having experienced <~5 GPa carrying stable NRM, which have been analyzed, or are being presently investigated. The only other obvious source of a field to explain stable TRM in lunar rocks is that of surface lunar fields, but over the mare these are too weak to account for the NRM of mare basalts. In summary, recent advances in our understanding of SRM and reanalysis of lunar paleomagnetism lead us to conclude that lunar paleomagnetism is most easily explained by a lunar dynamo.

Energy stable and high-order-accurate finite difference methods on staggered grids

NASA Astrophysics Data System (ADS)

O'Reilly, Ossian; Lundquist, Tomas; Dunham, Eric M.; Nordström, Jan

2017-10-01

For wave propagation over distances of many wavelengths, high-order finite difference methods on staggered grids are widely used due to their excellent dispersion properties. However, the enforcement of boundary conditions in a stable manner and treatment of interface problems with discontinuous coefficients usually pose many challenges. In this work, we construct a provably stable and high-order-accurate finite difference method on staggered grids that can be applied to a broad class of boundary and interface problems. The staggered grid difference operators are in summation-by-parts form and when combined with a weak enforcement of the boundary conditions, lead to an energy stable method on multiblock grids. The general applicability of the method is demonstrated by simulating an explosive acoustic source, generating waves reflecting against a free surface and material discontinuity.

Effect of induced cohesion on stick-slip dynamics in weakly saturated, sheared granular fault gouge

DOE PAGES

Dorostkar, Omid; Guyer, Robert A.; Johnson, Paul Allan; ...

2018-02-28

We use three-dimensional discrete element calculations to study stick-slip dynamics in a weakly wet granular layer designed to simulate fault gouge. The granular gouge is constituted by 8000 spherical particles with a poly-disperse size distribution. At very low liquid content, liquids impose cohesive and viscous forces on particles. Our simulations show that by increasing the liquid content, friction increases and granular layer shows higher recurrence time between slip events. We also observe that slip events exhibit larger friction drop and layer compaction in wet system compared to dry. We demonstrate that a small volume of liquid induces cohesive forces betweenmore » wet particles that are responsible for an increase in coordination number leading to a more stable arrangement of particles. This stabilization is evidenced with two orders of magnitude lower particle kinetic energy in wet system during stick phase. Similar to previous experimental studies, we observe enhanced frictional strength for wet granular layers. In experiments, the physicochemical processes are believed to be the main reason for such behavior, we show however, that at low confining stresses the hydromechanical effects of induced cohesion are sufficient for observed behavior. Our simulations illuminate the role of particle interactions and demonstrate the conditions under which induced cohesion plays a significant role in fault zone processes, including slip initiation, weakening, and failure.« less

Effect of induced cohesion on stick-slip dynamics in weakly saturated, sheared granular fault gouge

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

Dorostkar, Omid; Guyer, Robert A.; Johnson, Paul Allan

We use three-dimensional discrete element calculations to study stick-slip dynamics in a weakly wet granular layer designed to simulate fault gouge. The granular gouge is constituted by 8000 spherical particles with a poly-disperse size distribution. At very low liquid content, liquids impose cohesive and viscous forces on particles. Our simulations show that by increasing the liquid content, friction increases and granular layer shows higher recurrence time between slip events. We also observe that slip events exhibit larger friction drop and layer compaction in wet system compared to dry. We demonstrate that a small volume of liquid induces cohesive forces betweenmore » wet particles that are responsible for an increase in coordination number leading to a more stable arrangement of particles. This stabilization is evidenced with two orders of magnitude lower particle kinetic energy in wet system during stick phase. Similar to previous experimental studies, we observe enhanced frictional strength for wet granular layers. In experiments, the physicochemical processes are believed to be the main reason for such behavior, we show however, that at low confining stresses the hydromechanical effects of induced cohesion are sufficient for observed behavior. Our simulations illuminate the role of particle interactions and demonstrate the conditions under which induced cohesion plays a significant role in fault zone processes, including slip initiation, weakening, and failure.« less

Cohesion-Induced Stabilization in Stick-Slip Dynamics of Weakly Wet, Sheared Granular Fault Gouge

NASA Astrophysics Data System (ADS)

Dorostkar, Omid; Guyer, Robert A.; Johnson, Paul A.; Marone, Chris; Carmeliet, Jan

2018-03-01

We use three-dimensional discrete element calculations to study stick-slip dynamics in a weakly wet granular layer designed to simulate fault gouge. The granular gouge is constituted by 8,000 spherical particles with a polydisperse size distribution. At very low liquid content, liquids impose cohesive and viscous forces on particles. Our simulations show that by increasing the liquid content, friction increases and granular layer shows higher recurrence time between slip events. We also observe that slip events exhibit larger friction drop and layer compaction in wet system compared to dry. We demonstrate that a small volume of liquid induces cohesive forces between wet particles that are responsible for an increase in coordination number leading to a more stable arrangement of particles. This stabilization is evidenced with 2 orders of magnitude lower particle kinetic energy in wet system during stick phase. Similar to previous experimental studies, we observe enhanced frictional strength for wet granular layers. In experiments, the physicochemical processes are believed to be the main reason for such behavior; we show, however, that at low confining stresses, the hydromechanical effects of induced cohesion are sufficient for observed behavior. Our simulations illuminate the role of particle interactions and demonstrate the conditions under which induced cohesion plays a significant role in fault zone processes, including slip initiation, weakening, and failure.

Evaluation of the strength of cement-treated aggregate for pavement bases.

DOT National Transportation Integrated Search

2006-01-01

Cement-treated aggregate (CTA) is commonly used to provide a stable base for pavements that are placed over weak soil subgrades. Because CTA reduces the thickness of the aggregate required to provide a durable base by approximately one-half, using it...

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).

On the direct detection of multi-component dark matter: sensitivity studies and parameter estimation

NASA Astrophysics Data System (ADS)

Herrero-Garcia, Juan; Scaffidi, Andre; White, Martin; Williams, Anthony G.

2017-11-01

We study the case of multi-component dark matter, in particular how direct detection signals are modified in the presence of several stable weakly-interacting-massive particles. Assuming a positive signal in a future direct detection experiment, stemming from two dark matter components, we study the region in parameter space where it is possible to distinguish a one from a two-component dark matter spectrum. First, we leave as free parameters the two dark matter masses and show that the two hypotheses can be significantly discriminated for a range of dark matter masses with their splitting being the critical factor. We then investigate how including the effects of different interaction strengths, local densities or velocity dispersions for the two components modifies these conclusions. We also consider the case of isospin-violating couplings. In all scenarios, we show results for various types of nuclei both for elastic spin-independent and spin-dependent interactions. Finally, assuming that the two-component hypothesis is confirmed, we quantify the accuracy with which the parameters can be extracted and discuss the different degeneracies that occur. This includes studying the case in which only a single experiment observes a signal, and also the scenario of having two signals from two different experiments, in which case the ratios of the couplings to neutrons and protons may also be extracted.

Environment and genotype effects on the content of dietary fiber and its components in wheat in the HEALTHGRAIN diversity screen.

PubMed

Gebruers, Kurt; Dornez, Emmie; Bedõ, Zoltan; Rakszegi, Mariann; Frás, Anna; Boros, Danuta; Courtin, Christophe M; Delcour, Jan A

2010-09-08

Within the HEALTHGRAIN diversity screen, the variability of the contents of dietary fiber (DF) and components thereof was studied in wheat. Furthermore, the contribution of genotype and environment to this variability was estimated. The levels of total DF (TDF), total nonstarch polysaccharide (TOTNSP), water-extractable nonstarch polysaccharide (WENSP), total arabinoxylan (TOTAX), lignin, and beta-glucan in whole meal, flour, and/or bran varied approximately 1.8-fold. The highest variability was observed for the water-extractable arabinoxylan (WEAX) level in flour and bran (approximately 3.7-fold). Genotype and environment contributed to a similar extent to the variability in TDF, TOTNSP, and TOTAX content in wheat. The observed relatively high impact of genotype-environment interaction suggests that the levels of these constituents are weak breeding parameters. The WENSP level is a more stable parameter as the effect of the interaction term was much less than the impact of genotype. For TOTAX and WEAX in flour, WEAX in bran, beta-glucan in whole meal, and extract viscosity, wheat genotype determined approximately 50% or higher of the variation observed, whereas the impact of the genotype-environment interaction was relatively low. These findings suggest that the health-related and technological functionality of wheat can be directed to a certain extent by selection of appropriate wheat varieties.

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.

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.

The formation of stable pH gradients with weak monovalent buffers for isoelectric focusing in free solution

NASA Technical Reports Server (NTRS)

Mosher, Richard A.; Thormann, Wolfgang; Graham, Aly; Bier, Milan

1985-01-01

Two methods which utilize simple buffers for the generation of stable pH gradients (useful for preparative isoelectric focusing) are compared and contrasted. The first employs preformed gradients comprised of two simple buffers in density-stabilized free solution. The second method utilizes neutral membranes to isolate electrolyte reservoirs of constant composition from the separation column. It is shown by computer simulation that steady-state gradients can be formed at any pH range with any number of components in such a system.

Nonlinear Wavelength Selection in Surface Faceting under Electromigration

NASA Astrophysics Data System (ADS)

Barakat, Fatima; Martens, Kirsten; Pierre-Louis, Olivier

2012-08-01

We report on the control of the faceting of crystal surfaces by means of surface electromigration. When electromigration reinforces the faceting instability, we find perpetual coarsening with a wavelength increasing as t1/2. For strongly stabilizing electromigration, the surface is stable. For weakly stabilizing electromigration, a cellular pattern is obtained, with a nonlinearly selected wavelength. The selection mechanism is not caused by an instability of steady states, as suggested by previous works in the literature. Instead, the dynamics is found to exhibit coarsening before reaching a continuous family of stable nonequilibrium steady states.

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.

$$\\chi$$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

Lump Solitons in Surface Tension Dominated Flows

NASA Astrophysics Data System (ADS)

Milewski, Paul; Berger, Kurt

1999-11-01

The Kadomtsev-Petviashvilli I equation (KPI) which models small-amplitude, weakly three-dimensional surface-tension dominated long waves is integrable and allows for algebraically decaying lump solitary waves. It is not known (theoretically or numerically) whether the full free-surface Euler equations support such solutions. We consider an intermediate model, the generalised Benney-Luke equation (gBL) which is isotropic (not weakly three-dimensional) and contains KPI as a limit. We show numerically that: 1. gBL supports lump solitary waves; 2. These waves collide elastically and are stable; 3. They are generated by resonant flow over an obstacle.

On the Wigner law in dilute random matrices

NASA Astrophysics Data System (ADS)

Khorunzhy, A.; Rodgers, G. J.

1998-12-01

We consider ensembles of N × N symmetric matrices whose entries are weakly dependent random variables. We show that random dilution can change the limiting eigenvalue distribution of such matrices. We prove that under general and natural conditions the normalised eigenvalue counting function coincides with the semicircle (Wigner) distribution in the limit N → ∞. This can be explained by the observation that dilution (or more generally, random modulation) eliminates the weak dependence (or correlations) between random matrix entries. It also supports our earlier conjecture that the Wigner distribution is stable to random dilution and modulation.

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)

Realization of Multi-Stable Ground States in a Nematic Liquid Crystal by Surface and Electric Field Modification

NASA Astrophysics Data System (ADS)

Gwag, Jin Seog; Kim, Young-Ki; Lee, Chang Hoon; Kim, Jae-Hoon

2015-06-01

Owing to the significant price drop of liquid crystal displays (LCDs) and the efforts to save natural resources, LCDs are even replacing paper to display static images such as price tags and advertising boards. Because of a growing market demand on such devices, the LCD that can be of numerous surface alignments of directors as its ground state, the so-called multi-stable LCD, comes into the limelight due to the great potential for low power consumption. However, the multi-stable LCD with industrial feasibility has not yet been successfully performed. In this paper, we propose a simple and novel configuration for the multi-stable LCD. We demonstrate experimentally and theoretically that a battery of stable surface alignments can be achieved by the field-induced surface dragging effect on an aligning layer with a weak surface anchoring. The simplicity and stability of the proposed system suggest that it is suitable for the multi-stable LCDs to display static images with low power consumption and thus opens applications in various fields.

X-band Electron Paramagnetic Resonance Investigation of Stable Organic Radicals Present under Cold Stratification in 'Fuji' Apple Seeds.

PubMed

Nakagawa, Kouichi; Matsumoto, Kazuhiro; Chaiserm, Nattakan; Priprem, Aroonsri

2017-01-01

We investigated stable organic radicals formed in response to cold stratification in 'Fuji' apple seeds using X-band (9 GHz) electron paramagnetic resonance (EPR) technique. This technique primarily detected two paramagnetic species in each seed. These two different radical species were assigned as a stable organic radical and Mn 2+ species based on the g values and hyperfine components. Signal from the stable radicals was noted at a g value of about 2.00 and was strong and relatively stable. Significant radical intensity changes were observed in apple seeds on refrigeration along with water supplementation. The strongest radical intensity and a very weak Mn 2+ signal were also observed for the seeds kept in moisture-containing sand in a refrigerator. Noninvasive EPR of the radicals present in each seed revealed that the stable radicals were located primarily in the seed coat. These results indicate that the significant radical intensity changes in apple seeds under refrigeration for at least 90 days followed by water supplementation for one week, can be related to cold stratification of the seeds.

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.

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.

Bacteria as part of bioluminescence emission at the deep ANTARES station (North-Western Mediterranean Sea) during a one-year survey

NASA Astrophysics Data System (ADS)

Martini, S.; Michotey, V.; Casalot, L.; Bonin, P.; Guasco, S.; Garel, M.; Tamburini, C.

2016-10-01

Bioluminescent bacteria have been studied during a one-year survey in 2011 at the deep ANTARES site (Northwestern Mediterranean Sea, 2000 m depth). The neutrino underwater telescope ANTARES, located at this station, has been used to record the bioluminescence at the same depth. Together with these data, environmental variables (potential temperature, salinity, nutrients, dissolved organic carbon and oxygen) have been characterized in water samples. The year 2011 was characterized by relatively stable conditions, as revealed by minor variability in the monitored oceanographic variables, by low bioluminescence and low current speed. This suggests weak eukaryote participation and mainly non-stimulated light emission. Hence, no processes of dense water have affected the ANTARES station during this survey. Abundance of bioluminescent bacteria belonging to Photobacterium genus, measured by qPCR of the luxF gene, ranged from 1.4×102 to 7.2×102 genes mL-1. Their effective activity was confirmed through mRNA luxF quantification. Our results reveal that bioluminescent bacteria appeared more active than the total counterpart of bacteria, suggesting an ecological benefit of this feature such as favoring interaction with macro-organisms. Moreover, these results show that part of the bioluminescence, recorded at 2000 m depth over one year, could be due to bioluminescent bacteria in stable hydrological conditions.

Resistance of bromelain to SDS binding.

PubMed

Bhattacharya, Reema; Bhattacharyya, Debasish

2009-04-01

Interaction of the plant cysteine protease bromelain with SDS has been studied using CD spectroscopy, intrinsic fluorescence emission, extrinsic fluorescence probe pyrene, isothermal calorimetric (ITC) investigations and inhibition of hydrolyzing activity. Results exhibit number of synchronous transitions when plotted against the total SDS concentration. SDS at submicellar level caused conformation change of bromelain leading to a stable entity. ITC and pyrene experiments suggest that the structural modifications below 5 mM, the cmc(app) of SDS solutions containing bromelain, are the result of alterations of solvent hydrophobicity or non-specific weak binding and/or adsorption of SDS monomers. Melting temperature (T(m)) and the free energy change for thermal unfolding (DeltaG(unf)) of the SDS induced conformers was decreased by 5 degrees C and 0.5 kcal/mol respectively, compared to native bromelain. Below 5 mM, SDS caused large decrease in V(max) without affecting K(m) for the substrate Z-Arg-Arg-NHMec. Analysis of kinetic data imply that SDS acts as a partial non-competitive inhibitor since even at 100 mM, the residual activity of bromelain was retained by 3%. Inhibition studies show an IC(50) of 0.55 mM and a high K(i) of 0.145 mM. These demonstrate that bromelain is resistant to SDS binding and denaturation, a property known for beta-sheet rich kinetically stable proteins.

Loss of echogenicity and onset of cavitation from echogenic liposomes: pulse repetition frequency independence

PubMed Central

Radhakrishnan, Kirthi; Haworth, Kevin J; Peng, Tao; McPherson, David D.; Holland, Christy K.

2014-01-01

Echogenic liposomes (ELIP) are being developed for the early detection and treatment of atherosclerotic lesions. An 80% loss of echogenicity of ELIP (Radhakrishnan et al. 2013) has been shown to be concomitant with the onset of stable and inertial cavitation. The ultrasound pressure amplitude at which this occurs is weakly dependent on pulse duration. Smith et al. (2007) have reported that the rapid fragmentation threshold of ELIP (based on changes in echogenicity) is dependent on the insonation pulse repetition frequency (PRF). The current study evaluates the relationship between loss of echogenicity and cavitation emissions from ELIP insonified by duplex Doppler pulses at four PRFs (1.25 kHz, 2.5 kHz, 5 kHz, and 8.33 kHz). Loss of echogenicity was evaluated on B-mode images of ELIP. Cavitation emissions from ELIP were recorded passively on a focused single-element transducer and a linear array. Emissions recorded by the linear array were beamformed and the spatial widths of stable and inertial cavitation emissions were compared to the calibrated azimuthal beamwidth of the Doppler pulse exceeding the stable and inertial cavitation thresholds. The inertial cavitation thresholds had a very weak dependence on PRF and stable cavitation thresholds were independent of PRF. The spatial widths of the cavitation emissions recorded by the passive cavitation imaging system agreed with the calibrated Doppler beamwidths. The results also show that 64%–79% loss of echogenicity can be used to classify the presence or absence of cavitation emissions with greater than 80% accuracy. PMID:25438849

Loss of echogenicity and onset of cavitation from echogenic liposomes: pulse repetition frequency independence.

PubMed

Radhakrishnan, Kirthi; Haworth, Kevin J; Peng, Tao; McPherson, David D; Holland, Christy K

2015-01-01

Echogenic liposomes (ELIP) are being developed for the early detection and treatment of atherosclerotic lesions. An 80% loss of echogenicity of ELIP has been found to be concomitant with the onset of stable and inertial cavitation. The ultrasound pressure amplitude at which this occurs is weakly dependent on pulse duration. It has been reported that the rapid fragmentation threshold of ELIP (based on changes in echogenicity) is dependent on the insonation pulse repetition frequency (PRF). The study described here evaluates the relationship between loss of echogenicity and cavitation emissions from ELIP insonified by duplex Doppler pulses at four PRFs (1.25, 2.5, 5 and 8.33 kHz). Loss of echogenicity was evaluated on B-mode images of ELIP. Cavitation emissions from ELIP were recorded passively on a focused single-element transducer and a linear array. Emissions recorded by the linear array were beamformed, and the spatial widths of stable and inertial cavitation emissions were compared with the calibrated azimuthal beamwidth of the Doppler pulse exceeding the stable and inertial cavitation thresholds. The inertial cavitation thresholds had a very weak dependence on PRF, and stable cavitation thresholds were independent of PRF. The spatial widths of the cavitation emissions recorded by the passive cavitation imaging system agreed with the calibrated Doppler beamwidths. The results also indicate that 64%-79% loss of echogenicity can be used to classify the presence or absence of cavitation emissions with greater than 80% accuracy. Copyright © 2015 World Federation for Ultrasound in Medicine & Biology. Published by Elsevier Inc. All rights reserved.

Condensate fluctuations of interacting Bose gases within a microcanonical ensemble.

PubMed

Wang, Jianhui; He, Jizhou; Ma, Yongli

2011-05-01

Based on counting statistics and Bogoliubov theory, we present a recurrence relation for the microcanonical partition function for a weakly interacting Bose gas with a finite number of particles in a cubic box. According to this microcanonical partition function, we calculate numerically the distribution function, condensate fraction, and condensate fluctuations for a finite and isolated Bose-Einstein condensate. For ideal and weakly interacting Bose gases, we compare the condensate fluctuations with those in the canonical ensemble. The present approach yields an accurate account of the condensate fluctuations for temperatures close to the critical region. We emphasize that the interactions between excited atoms turn out to be important for moderate temperatures.

Study of breakup and transfer of weakly bound nucleus 6Li to explore the low energy reaction dynamics

NASA Astrophysics Data System (ADS)

Zhang, G. L.; Zhang, G. X.; Hu, S. P.; Zhang, H. Q.; Gomes, P. R. S.; Lubian, J.; Guo, C. L.; Wu, X. G.; Yang, J. C.; Zheng, Y.; Li, C. B.; He, C. Y.; Zhong, J.; Li, G. S.; Yao, Y. J.; Guo, M. F.; Sun, H. B.; Valiente-Dobòn, J. J.; Goasduff, A.; Siciliano, M.; Galtarosa, F.; Francesco, R.; Testov, D.; Mengoni, D.; Bazzacco, D.; John, P. R.; Qu, W. W.; Wang, F.; Zheng, L.; Yu, L.; Chen, Q. M.; Luo, P. W.; Li, H. W.; Wu, Y. H.; Zhou, W. K.; Zhu, B. J.; Li, E. T.; Hao, X.

2017-11-01

Investigation of the breakup and transfer effect of weakly bound nuclei on the fusion process has been an interesting research topic in the past several years. However, owing to the low intensities of the presently available radioactive ion beam (RIB), it is difficult to clearly explore the reaction mechanisms of nuclear systems with unstable nuclei. In comparison with RIB, the beam intensities of stable weakly bound nuclei such as 6,7Li and 9Be, which have significant breakup probability, are orders of magnitude higher. Precise fusion measurements have already been performed with those stable weakly bound nuclei, and the effect of breakup of those nuclei on the fusion process has been extensively studied. Those nuclei indicated large production cross sections for particles other than the α + x breakup. The particles are originated from non-capture breakup (NCBU), incomplete fusion (ICF) and transfer processes. However, the conclusion of reaction dynamics was not clear and has the contradiction. In our previous experiments we have performed 6Li+96Zr and 154Sm at HI-13 Tandem accelerator of China Institute of Atomic Energy (CIAE) by using HPGe array. It is shown that there is a small complete fusion (CF) suppression on medium-mass target nucleus 96Zr different from about 35% suppression on heavier target nucleus 154Sm at near-barrier energies. It seems that the CF suppression factor depends on the charge of target nuclei. We also observed one neutron transfer process. However, the experimental data are scarce for medium-mass target nuclei. In order to have a proper understanding of the influence of breakup and transfer of weakly bound projectiles on the fusion process, we performed the 6Li+89Y experiment with incident energies of 22 MeV and 34 MeV on Galileo array in cooperation with Si-ball EUCLIDES at Legnaro National Laboratory (LNL) in Italy. Using particle-particle and particle-γ coincidences, the different reaction mechanisms can be clearly explored.

Career Commitment in Nursing.

ERIC Educational Resources Information Center

Gardner, Diane L.

1992-01-01

A longitudinal, repeated-measures descriptive survey used to measure career commitment and its relationship to turnover and work performance in 320 newly employed registered nurses at one hospital found that career commitment is not a stable phenomenon. The direct association between career commitment and turnover and with job performance is weak.…

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.

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

Impact of ambient gases on the mechanism of [Cs8Nb6O19]-promoted nerve-agent decomposition.

PubMed

Kaledin, Alexey L; Driscoll, Darren M; Troya, Diego; Collins-Wildman, Daniel L; Hill, Craig L; Morris, John R; Musaev, Djamaladdin G

2018-02-28

The impact of ambient gas molecules (X), NO 2 , CO 2 and SO 2 on the structure, stability and decontamination activity of Cs 8 Nb 6 O 19 polyoxometalate was studied computationally and experimentally. It was found that Cs 8 Nb 6 O 19 absorbs these molecules more strongly than it adsorbs water and Sarin (GB) and that these interactions hinder nerve agent decontamination. The impacts of diamagnetic CO 2 and SO 2 molecules on polyoxoniobate Cs 8 Nb 6 O 19 were fundamentally different from that of NO 2 radical. At ambient temperatures, weak coordination of the first NO 2 radical to Cs 8 Nb 6 O 19 conferred partial radical character on the polyoxoniobate and promoted stronger coordination of the second NO 2 adsorbent to form a stable diamagnetic Cs 8 Nb 6 O 19 /(NO 2 ) 2 species. Moreover, at low temperatures, NO 2 radicals formed stable dinitrogen tetraoxide (N 2 O 4 ) that weakly interacted with Cs 8 Nb 6 O 19 . It was found that both in the absence and presence of ambient gas molecules, GB decontamination by the Cs 8 Nb 6 O 19 species proceeds via general base hydrolysis involving: (a) the adsorption of water and the nerve agent on Cs 8 Nb 6 O 19 /(X), (b) concerted hydrolysis of a water molecule on a basic oxygen atom of the polyoxoniobate and nucleophilic addition of the nascent OH group to the phosphorus center of Sarin, and (c) rapid reorganization of the formed pentacoordinated-phosphorus intermediate, followed by dissociation of either HF or isopropanol and formation of POM-bound isopropyl methyl phosphonic acid (i-MPA) or methyl phosphonofluoridic acid (MPFA), respectively. The presence of the ambient gas molecules increases the energy of the intermediate stationary points relative to the asymptote of the reactants and slightly increases the hydrolysis barrier. These changes closely correlate with the Cs 8 Nb 6 O 19 -X complexation energy. The most energetically stable intermediates of the GB hydrolysis and decontamination reaction were found to be Cs 8 Nb 6 O 19 /X-MPFA-(i-POH) and Cs 8 Nb 6 O 19 /X-(i-MPA)-HF both in the absence and presence of ambient gas molecules. The high stability of these intermediates is due to, in part, the strong hydrogen bonding between the adsorbates and the protonated [Cs 8 Nb 6 O 19 /X/H] + -core. Desorption of HF or/and (i-POH) and regeneration of the catalyst required deprotonation of the [Cs 8 Nb 6 O 19 /X/H] + -core and protonation of the phosphonic acids i-MPA and MPFA. This catalyst regeneration is shown to be a highly endothermic process, which is the rate-limiting step of the GB hydrolysis and decontamination reaction both in the absence and presence of ambient gas molecules.

Contagion on complex networks with persuasion

NASA Astrophysics Data System (ADS)

Huang, Wei-Min; Zhang, Li-Jie; Xu, Xin-Jian; Fu, Xinchu

2016-03-01

The threshold model has been widely adopted as a classic model for studying contagion processes on social networks. We consider asymmetric individual interactions in social networks and introduce a persuasion mechanism into the threshold model. Specifically, we study a combination of adoption and persuasion in cascading processes on complex networks. It is found that with the introduction of the persuasion mechanism, the system may become more vulnerable to global cascades, and the effects of persuasion tend to be more significant in heterogeneous networks than those in homogeneous networks: a comparison between heterogeneous and homogeneous networks shows that under weak persuasion, heterogeneous networks tend to be more robust against random shocks than homogeneous networks; whereas under strong persuasion, homogeneous networks are more stable. Finally, we study the effects of adoption and persuasion threshold heterogeneity on systemic stability. Though both heterogeneities give rise to global cascades, the adoption heterogeneity has an overwhelmingly stronger impact than the persuasion heterogeneity when the network connectivity is sufficiently dense.

Contagion on complex networks with persuasion

PubMed Central

Huang, Wei-Min; Zhang, Li-Jie; Xu, Xin-Jian; Fu, Xinchu

2016-01-01

The threshold model has been widely adopted as a classic model for studying contagion processes on social networks. We consider asymmetric individual interactions in social networks and introduce a persuasion mechanism into the threshold model. Specifically, we study a combination of adoption and persuasion in cascading processes on complex networks. It is found that with the introduction of the persuasion mechanism, the system may become more vulnerable to global cascades, and the effects of persuasion tend to be more significant in heterogeneous networks than those in homogeneous networks: a comparison between heterogeneous and homogeneous networks shows that under weak persuasion, heterogeneous networks tend to be more robust against random shocks than homogeneous networks; whereas under strong persuasion, homogeneous networks are more stable. Finally, we study the effects of adoption and persuasion threshold heterogeneity on systemic stability. Though both heterogeneities give rise to global cascades, the adoption heterogeneity has an overwhelmingly stronger impact than the persuasion heterogeneity when the network connectivity is sufficiently dense. PMID:27029498

Contagion on complex networks with persuasion.

PubMed

Huang, Wei-Min; Zhang, Li-Jie; Xu, Xin-Jian; Fu, Xinchu

2016-03-31

The threshold model has been widely adopted as a classic model for studying contagion processes on social networks. We consider asymmetric individual interactions in social networks and introduce a persuasion mechanism into the threshold model. Specifically, we study a combination of adoption and persuasion in cascading processes on complex networks. It is found that with the introduction of the persuasion mechanism, the system may become more vulnerable to global cascades, and the effects of persuasion tend to be more significant in heterogeneous networks than those in homogeneous networks: a comparison between heterogeneous and homogeneous networks shows that under weak persuasion, heterogeneous networks tend to be more robust against random shocks than homogeneous networks; whereas under strong persuasion, homogeneous networks are more stable. Finally, we study the effects of adoption and persuasion threshold heterogeneity on systemic stability. Though both heterogeneities give rise to global cascades, the adoption heterogeneity has an overwhelmingly stronger impact than the persuasion heterogeneity when the network connectivity is sufficiently dense.

Conformational study of 2-phenylethylamine by molecular-beam Fourier transform microwave spectroscopy.

PubMed

López, Juan C; Cortijo, Vanessa; Blanco, Susana; Alonso, Jose L

2007-08-28

The conformational preferences of the simplest amine neurotransmitter 2-phenylethylamine have been investigated using molecular beam Fourier transform microwave (MB-FTMW) spectroscopy. Two new conformers have been observed together with the two previously reported by Godfrey et al. [J. Am. Chem. Soc., 1995, 117, 8204]. The (14)N nuclear quadrupole hyperfine structure has been resolved for all four conformers. Comparison of the experimental rotational and quadrupole coupling constants with those calculated theoretically provides a conclusive test for the identification of all conformers. The two most stable conformers present a gauche (folded) disposition of the alkyl-amine chain and are stabilised by a weak NH...pi interaction between the amino group and the aromatic ring. The other two conformers show an anti (extended) arrangement of the alkyl-amine chain. Tunnelling splittings have been observed in the spectrum of one of the anti conformers. The post expansion relative abundances in the supersonic jet have been also investigated and related to the conformer energies.

Self-assembly and electrostriction of arrays and chains of hopfion particles in chiral liquid crystals

PubMed Central

Ackerman, Paul J.; van de Lagemaat, Jao; Smalyukh, Ivan I.

2015-01-01

Some of the most exotic condensed matter phases, such as twist grain boundary and blue phases in liquid crystals and Abrikosov phases in superconductors, contain arrays of topological defects in their ground state. Comprised of a triangular lattice of double-twist tubes of magnetization, the so-called ‘A-phase’ in chiral magnets is an example of a thermodynamically stable phase with topologically nontrivial solitonic field configurations referred to as two-dimensional skyrmions, or baby-skyrmions. Here we report that three-dimensional skyrmions in the form of double-twist tori called ‘hopfions’, or ‘torons’ when accompanied by additional self-compensating defects, self-assemble into periodic arrays and linear chains that exhibit electrostriction. In confined chiral nematic liquid crystals, this self-assembly is similar to that of liquid crystal colloids and originates from long-range elastic interactions between particle-like skyrmionic torus knots of molecular alignment field, which can be tuned from isotropic repulsive to weakly or highly anisotropic attractive by low-voltage electric fields. PMID:25607778

A new strategy of transforming pharmaceutical crystal forms.

PubMed

Tian, Jian; Dalgarno, Scott J; Atwood, Jerry L

2011-02-09

The robust nature of network materials allows them to (for example) respond to external stimuli such as pressure, temperature, light, or gas/solvent adsorption and desorption. There is difficulty in retaining long-range order in purely molecular organic solids, due to weak intermolecular interactions such as van der Waals forces. Here, we show gas-induced transformations of the well-known pharmaceuticals clarithromycin and lansoprazole. For clarithromycin, the stimulus is capable of converting the kinetic solvate and guest-free crystal forms to the commercial thermodynamically stable polymorph with a huge saving in energy cost relative to industrially employed methods. The synthesis of the marketing form of lansoprazole involves a solvate that readily decomposes and that is stirred in water, filtered, and dried intensively. Our method readily circumvents such synthetic problems and transforms the sensitive solvate to the marketed drug substance with ease. Such expedient transformations hold great implications for the pharmaceutical industry in general when considering the ease of transformation and mild conditions employed.

Direct Immersion Annealing of Thin Block Copolymer Films.

PubMed

Modi, Arvind; Bhaway, Sarang M; Vogt, Bryan D; Douglas, Jack F; Al-Enizi, Abdullah; Elzatahry, Ahmed; Sharma, Ashutosh; Karim, Alamgir

2015-10-07

We demonstrate ordering of thin block copolymer (BCP) films via direct immersion annealing (DIA) at enhanced rate leading to stable morphologies. The BCP films are immersed in carefully selected mixtures of good and marginal solvents that can impart enhanced polymer mobility, while inhibiting film dissolution. DIA is compatible with roll-to-roll assembly manufacturing and has distinct advantages over conventional thermal annealing and batch processing solvent-vapor annealing methods. We identify three solvent composition-dependent BCP film ordering regimes in DIA for the weakly interacting polystyrene-poly(methyl methacrylate) (PS-PMMA) system: rapid short-range order, optimal long-range order, and a film instability regime. Kinetic studies in the "optimal long-range order" processing regime as a function of temperature indicate a significant reduction of activation energy for BCP grain growth compared to oven annealing at conventional temperatures. An attractive feature of DIA is its robustness to ordering other BCP (e.g. PS-P2VP) and PS-PMMA systems exhibiting spherical, lamellar and cylindrical ordering.

Resolving the neutron lifetime puzzle

NASA Astrophysics Data System (ADS)

Mumm, Pieter

2018-05-01

Free electrons and protons are stable, but outside atomic nuclei, free neutrons decay into a proton, electron, and antineutrino through the weak interaction, with a lifetime of ∼880 s (see the figure). The most precise measurements have stated uncertainties below 1 s (0.1%), but different techniques, although internally consistent, disagree by 4 standard deviations given the quoted uncertainties. Resolving this “neutron lifetime puzzle” has spawned much experimental effort as well as exotic theoretical mechanisms, thus far without a clear explanation. On page 627 of this issue, Pattie et al. (1) present the most precise measurement of the neutron lifetime to date. A new method of measuring trapped neutrons in situ allows a more detailed exploration of one of the more pernicious systematic effects in neutron traps, neutron phase-space evolution (the changing orbits of neutrons in the trap), than do previous methods. The precision achieved, combined with a very different set of systematic uncertainties, gives hope that experiments such as this one can help resolve the current situation with the neutron lifetime.

Electroweak Kaluza-Klein dark matter

DOE PAGES

Flacke, Thomas; Kang, Dong Woo; Kong, Kyoungchul; ...

2017-04-07

In models with universal extra dimensions (UED), the lightest Kaluza-Klein excitation of neutral electroweak gauge bosons is a stable, weakly interacting massive particle and thus is a candidate for dark matter thanks to Kaluza-Klein parity. We examine concrete model realizations of such dark matter in the context of non-minimal UED extensions. The boundary localized kinetic terms for the electroweak gauge bosons lead to a non-trivial mixing among the first Kaluza-Klein excitations of themore » $${\\rm SU}(2)_W$$ and $${\\rm U}(1)_Y$$ gauge bosons and the resultant low energy phenomenology is rich. We investigate implications of various experiments including low energy electroweak precision measurements, direct and indirect detection of dark matter particles and direct collider searches at the LHC. Furthermore, we show that the electroweak Kaluza-Klein dark matter can be as heavy as 2.4 TeV, which is significantly higher than $1.3$ TeV as is indicated as an upper bound in the minimal UED model.« less

Incommensurate Graphene Foam as a High Capacity Lithium Intercalation Anode

PubMed Central

Paronyan, Tereza M.; Thapa, Arjun Kumar; Sherehiy, Andriy; Jasinski, Jacek B.; Jangam, John Samuel Dilip

2017-01-01

Graphite’s capacity of intercalating lithium in rechargeable batteries is limited (theoretically, 372 mAh g−1) due to low diffusion within commensurately-stacked graphene layers. Graphene foam with highly enriched incommensurately-stacked layers was grown and applied as an active electrode in rechargeable batteries. A 93% incommensurate graphene foam demonstrated a reversible specific capacity of 1,540 mAh g−1 with a 75% coulombic efficiency, and an 86% incommensurate sample achieves above 99% coulombic efficiency exhibiting 930 mAh g−1 specific capacity. The structural and binding analysis of graphene show that lithium atoms highly intercalate within weakly interacting incommensurately-stacked graphene network, followed by a further flexible rearrangement of layers for a long-term stable cycling. We consider lithium intercalation model for multilayer graphene where capacity varies with N number of layers resulting LiN+1C2N stoichiometry. The effective capacity of commonly used carbon-based rechargeable batteries can be significantly improved using incommensurate graphene as an anode material. PMID:28059110

Estimating Precipitation Susceptibility in Warm Marine Clouds Using Multi-sensor Aerosol and Cloud Products from A-Train Satellites

NASA Astrophysics Data System (ADS)

Bai, H.; Gong, C.; Wang, M.; Zhang, Z.

2017-12-01

Precipitation susceptibility to aerosol perturbation plays a key role in understanding aerosol-cloud interactions and constraining aerosol indirect effects. However, large discrepancies exist in the previous satellite estimates of precipitation susceptibility. In this paper, multi-sensor aerosol and cloud products, including those from CALIPSO, CloudSat, MODIS, and AMSR-E from June 2006 to April 2011 are analyzed to estimate precipitation susceptibility (including precipitation frequency susceptibility SPOP, precipitation intensity susceptibility SI, and precipitation rate susceptibility SR) in warm marine clouds. Our results show that SPOP demonstrates relatively robust features throughout independent LWP products and diverse rain products. In contrast, the behaviors of SI are more subject to LWP or rain products. Our results further show that SPOP strongly depends on atmospherics stability, with larger value under more stable environment. Precipitation susceptibility calculated with respect to cloud droplet number concentration (CDNC) is generally much larger than that estimated with respect to aerosol index (AI), which results from the weak dependency of CDNC on AI.

Direct Immersion Annealing of Thin Block Copolymer Films

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

Modi, Arvind; Bhaway, Sarang M.; Vogt, Bryan D.

2015-09-09

We demonstrate ordering of thin block copolymer (BCP) films via direct immersion annealing (DIA) at enhanced rate leading to stable morphologies. The BCP films are immersed in carefully selected mixtures of good and marginal solvents that can impart enhanced polymer mobility, while inhibiting film dissolution. DIA is compatible with roll-to-roll assembly manufacturing and has distinct advantages over conventional thermal annealing and batch processing solvent-vapor annealing methods. We identify three solvent composition-dependent BCP film ordering regimes in DIA for the weakly interacting polystyrene–poly(methyl methacrylate) (PS–PMMA) system: rapid short-range order, optimal long-range order, and a film instability regime. Kinetic studies in themore » “optimal long-range order” processing regime as a function of temperature indicate a significant reduction of activation energy for BCP grain growth compared to oven annealing at conventional temperatures. An attractive feature of DIA is its robustness to ordering other BCP (e.g. PS-P2VP) and PS-PMMA systems exhibiting spherical, lamellar and cylindrical ordering.« less

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

Ackerman, P. J.; van de Lagemaat, J.; Smalyukh, I. I.

Some of the most exotic condensed matter phases, such as twist grain boundary and blue phases in liquid crystals and Abrikosov phases in superconductors, contain arrays of topological defects in their ground state. Comprised of a triangular lattice of double-twist tubes of magnetization, the so-called ‘A-phase’ in chiral magnets is an example of a thermodynamically stable phase with topologically nontrivial solitonic field configurations referred to as two-dimensional skyrmions, or baby-skyrmions. Here we report that three-dimensional skyrmions in the form of double-twist tori called ‘hopfions’, or ‘torons’ when accompanied by additional self-compensating defects, self-assemble into periodic arrays and linear chains thatmore » exhibit electrostriction. In confined chiral nematic liquid crystals, this self-assembly is similar to that of liquid crystal colloids and originates from long-range elastic interactions between particle-like skyrmionic torus knots of molecular alignment field, which can be tuned from isotropic repulsive to weakly or highly anisotropic attractive by low-voltage electric fields.« 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.

Stable Isotopes Reveal Long-Term Fidelity to Foraging Grounds in the Galapagos Sea Lion (Zalophus wollebaeki)

PubMed Central

Drago, Massimiliano; Franco-Trecu, Valentina; Cardona, Luis; Inchausti, Pablo; Tapia, Washington; Páez-Rosas, Diego

2016-01-01

Most otariids have colony-specific foraging areas during the breeding season, when they behave as central place foragers. However, they may disperse over broad areas after the breeding season and individuals from different colonies may share foraging grounds at that time. Here, stable isotope ratios in the skull bone of adult Galapagos sea lions (Zalophus wollebaeki) were used to assess the long-term fidelity of both sexes to foraging grounds across the different regions of the Galapagos archipelago. Results indicated that the stable isotope ratios (δ13C and δ15N) of sea lion bone significantly differed among regions of the archipelago, without any significant difference between sexes and with a non significant interaction between sex and region. Moreover, standard ellipses, estimated by Bayesian inference and used as a measure of the isotopic resource use area at the population level, overlapped widely for the sea lions from the southern and central regions, whereas the overlap of the ellipses for sea lions from the central and western regions was small and non-existing for those from the western and southern regions. These results suggest that males and females from the same region within the archipelago use similar foraging grounds and have similar diets. Furthermore, they indicate that the exchange of adults between regions is limited, thus revealing a certain degree of foraging philopatry at a regional scale within the archipelago. The constraints imposed on males by an expanded reproductive season (~ 6 months), resulting from the weak reproductive synchrony among females, and those imposed on females by a very long lactation period (at least one year but up to three years), may explain the limited mobility of adult Galapagos sea lions of both sexes across the archipelago. PMID:26808381

Phenomenology and Astrophysics of Gravitationally-Bound Condensates of Axion-Like Particles

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

Eby, Joshua Armstrong

Light, spin-0 particles are ubiquitous in theories of physics beyond the Standard Model, and many of these make good candidates for the identity of dark matter. One very well-motivated candidate of this type is the axion. Due to their small mass and adherence to Bose statistics, axions can coalesce into heavy, gravitationally-bound condensates known as boson stars, also known as axion stars (in particular). In this work, we outline our recent progress in attempts to determine the properties of axion stars. We begin with a brief overview of the Standard Model, axions, and bosonic condensates in general. Then, in themore » context of axion stars, we will present our recent work, which includes: numerical estimates of the macroscopic properties (mass, radius, and particle number) of gravitationally stable axion stars; a calculation of their decay lifetime through number-changing interactions; an analysis of the gravitational collapse process for very heavy states; and an investigation of the implications of axion stars as dark matter. The basic conclusions of our work are that weakly-bound axion stars are only stable up to some calculable maximum mass, whereas states with larger masses collapse to a small radius, but do not form black holes. During collapse, a rapidly increasing binding energy implies a fast rate of decay to relativistic particles, giving rise to a Bosenova. Axion stars that are otherwise stable could be caused to collapse either by accretion of free particles to masses above the maximum, or through astrophysical collisions; in the latter case, we estimate the rate of collisions and the parameter space relevant to induced collapse.« less

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.

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.

Optical bullets and "rockets" in nonlinear dissipative systems and their transformations and interactions.

PubMed

Soto-Crespo, J M; Grelu, Philippe; Akhmediev, Nail

2006-05-01

We demonstrate the existence of stable optical light bullets in nonlinear dissipative media for both cases of normal and anomalous chromatic dispersion. The prediction is based on direct numerical simulations of the (3+1)-dimensional complex cubic-quintic Ginzburg-Landau equation. We do not impose conditions of spherical or cylindrical symmetry. Regions of existence of stable bullets are determined in the parameter space. Beyond the domain of parameters where stable bullets are found, unstable bullets can be transformed into "rockets" i.e. bullets elongated in the temporal domain. A few examples of the interaction between two optical bullets are considered using spatial and temporal interaction planes.

Global muscle dysfunction as a risk factor of readmission to hospital due to COPD exacerbations.

PubMed

Vilaró, Jordi; Ramirez-Sarmiento, Alba; Martínez-Llorens, Juana M A; Mendoza, Teresa; Alvarez, Miguel; Sánchez-Cayado, Natalia; Vega, Angeles; Gimeno, Elena; Coronell, Carlos; Gea, Joaquim; Roca, Josep; Orozco-Levi, Mauricio

2010-12-01

Exacerbations of chronic obstructive pulmonary disease (COPD) are associated with several modifiable (sedentary life-style, smoking, malnutrition, hypoxemia) and non-modifiable (age, co-morbidities, severity of pulmonary function, respiratory infections) risk factors. We hypothesise that most of these risk factors may have a converging and deleterious effects on both respiratory and peripheral muscle function in COPD patients. A multicentre study was carried out in 121 COPD patients (92% males, 63 ± 11 yr, FEV(1), 49 ± 17%pred). Assessments included anthropometrics, lung function, body composition using bioelectrical impedance analysis (BIA), and global muscle function (peripheral muscle (dominant and non-dominant hand grip strength, HGS), inspiratory (PI(max)), and expiratory (PE(max)) muscle strength). GOLD stage, clinical status (stable vs. non-stable) and both current and past hospital admissions due to COPD exacerbations were included as covariates in the analyses. Respiratory and peripheral muscle weakness were observed in all subsets of patients. Muscle weakness, was significantly associated with both current and past hospitalisations. Patients with history of multiple admissions showed increased global muscle weakness after adjusting by FEV(1) (PE(max), OR = 6.8, p < 0.01; PI(max), OR = 2.9, p < 0.05; HGSd, OR = 2.4, and HGSnd, OR = 2.6, p = 0.05). Moreover, a significant increase in both respiratory and peripheral muscle weakness, after adjusting by FEV(1), was associated with current acute exacerbations. Muscle dysfunction, adjusted by GOLD stage, is associated with an increased risk of hospital admissions due to acute episodes of exacerbation of the disease. Current exacerbations further deteriorate muscle dysfunction. Copyright © 2010 Elsevier Ltd. 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

Analysis of dark matter axion clumps with spherical symmetry

NASA Astrophysics Data System (ADS)

Schiappacasse, Enrico D.; Hertzberg, Mark P.

2018-01-01

Recently there has been much interest in the spatial distribution of light scalar dark matter, especially axions, throughout the universe. When the local gravitational interactions between the scalar modes are sufficiently rapid, it can cause the field to re-organize into a BEC of gravitationally bound clumps. While these clumps are stable when only gravitation is included, the picture is complicated by the presence of the axion's attractive self-interactions, which can potentially cause the clumps to collapse. Here we perform a detailed stability analysis to determine under what conditions the clumps are stable. In this paper we focus on spherical configurations, leaving aspherical configurations for future work. We identify branches of clump solutions of the axion-gravity-self-interacting system and study their stability properties. We find that clumps that are (spatially) large are stable, while clumps that are (spatially) small are unstable and may collapse. Furthermore, there is a maximum number of particles that can be in a clump. We map out the full space of solutions, which includes quasi-stable axitons, and clarify how a recent claim in the literature of a new ultra-dense branch of stable solutions rests on an invalid use of the non-relativistic approximation. We also consider repulsive self-interactions that may arise from a generic scalar dark matter candidate, finding a single stable branch that extends to arbitrary particle number.

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.

A combined molecular dynamics simulation and quantum mechanics study on mercaptopurine interaction with the cucurbit [6,7] urils: Analysis of electronic structure

NASA Astrophysics Data System (ADS)

Zaboli, Maryam; Raissi, Heidar

2018-01-01

In the current study, the probability of complex formation between mercaptopurine drug with cucurbit[6]urils and cucurbit[7]urils has been investigated. The calculations for geometry optimization of complexes have been carried out by means of DFT (B3LYP), DFT-D (B3LYP-D) and M06-2X methods. The Atoms In Molecules (AIM), Natural Bond Orbital (NBO), NMR, the density of states (DOSs) and frontier molecular orbital (MO) analyses have been done on the inclusion complexes. In addition, the UV-Vis spectra of the first eight states have been obtained by CAM-B3LYP/TD-DFT calculation. The obtained results of the complexation process reveal that CB[7]-DRG complexes are more favorable than that of CB[6]-DRG interactions. Furthermore, our theoretical results show that configurations III and I are the most stable configurations related to the CB[6]/DRG and CB[7]/DRG interactions, respectively. The positive ∇2ρ(r) and HC values at the bond critical points indicate that exist the weak H-bonds between CB[6] and CB[7] with H atoms of the drug molecule. The obtained negative binding energy values of CB[7]-DRG interaction in solution phase show the stability of these complexes in the aqueous medium. Also, all of the observed parameters of molecular dynamics simulation such as the number of contacts, hydrogen bonding, center-of-mass distance and van der Waals energy values confirm the encapsulation of mercaptopurine molecule inside the cucurbit[7]urils cavity at about 3.2 ns.

Autoinhibition of ETV6 DNA Binding Is Established by the Stability of Its Inhibitory Helix

PubMed Central

De, Soumya; Okon, Mark; Graves, Barbara J.; McIntosh, Lawrence P.

2017-01-01

The ETS transcriptional repressor ETV6 (or TEL) is autoinhibited by an α-helix that sterically blocks its DNA-binding ETS domain. The inhibitory helix is marginally stable and unfolds when ETV6 binds to either specific or non-specific DNA. Using NMR spectroscopy, we show that folding of the inhibitory helix requires a buried charge–dipole interaction with helix H1 of the ETS domain. This interaction also contributes directly to autoinhibition by precluding a highly conserved dipole-enhanced hydrogen bond between the phosphodiester backbone of bound DNA and the N terminus of helix H1. To probe further the thermodynamic basis of autoinhibition, ETV6 variants were generated with amino acid substitutions introduced along the solvent exposed surface of the inhibitory helix. These changes were designed to increase the intrinsic helical propensity of the inhibitory helix without perturbing its packing interactions with the ETS domain. NMR-monitored amide hydrogen exchange measurements confirmed that the stability of the folded inhibitory helix increases progressively with added helix-promoting substitutions. This also results in progressively reinforced autoinhibition and decreased DNA-binding affinity. Surprisingly, locking the inhibitory helix onto the ETS domain by a disulfide bridge severely impairs, but does not abolish DNA binding. Weak interactions still occur via an interface displaced from the canonical ETS domain DNA-binding surface. Collectively, these studies establish a direct thermodynamic linkage between inhibitory helix stability and ETV6 autoinhibition, and demonstrate that helix unfolding does not strictly precede DNA binding. Modulating inhibitory helix stability provides a potential route for the in vivo regulation of ETV6 activity. PMID:26920109

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.

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.

Exact-exchange spin-density functional theory of Wigner localization and phase transitions in quantum rings

NASA Astrophysics Data System (ADS)

Arnold, Thorsten; Siegmund, Marc; Pankratov, Oleg

2011-08-01

We apply exact-exchange spin-density functional theory in the Krieger-Li-Iafrate approximation to interacting electrons in quantum rings of different widths. The rings are threaded by a magnetic flux that induces a persistent current. A weak space and spin symmetry breaking potential is introduced to allow for localized solutions. As the electron-electron interaction strength described by the dimensionless parameter rS is increased, we observe—at a fixed spin magnetic moment—the subsequent transition of both spin sub-systems from the Fermi liquid to the Wigner crystal state. A dramatic signature of Wigner crystallization is that the persistent current drops sharply with increasing rS. We observe simultaneously the emergence of pronounced oscillations in the spin-resolved densities and in the electron localization functions indicating a spatial electron localization showing ferrimagnetic order after both spin sub-systems have undergone the Wigner crystallization. The critical rSc at the transition point is substantially smaller than in a fully spin-polarized system and decreases further with decreasing ring width. Relaxing the constraint of a fixed spin magnetic moment, we find that on increasing rS the stable phase changes from an unpolarized Fermi liquid to an antiferromagnetic Wigner crystal and finally to a fully polarized Fermi liquid.

Exact-exchange spin-density functional theory of Wigner localization and phase transitions in quantum rings.

PubMed

Arnold, Thorsten; Siegmund, Marc; Pankratov, Oleg

2011-08-24

We apply exact-exchange spin-density functional theory in the Krieger-Li-Iafrate approximation to interacting electrons in quantum rings of different widths. The rings are threaded by a magnetic flux that induces a persistent current. A weak space and spin symmetry breaking potential is introduced to allow for localized solutions. As the electron-electron interaction strength described by the dimensionless parameter r(S) is increased, we observe-at a fixed spin magnetic moment-the subsequent transition of both spin sub-systems from the Fermi liquid to the Wigner crystal state. A dramatic signature of Wigner crystallization is that the persistent current drops sharply with increasing r(S). We observe simultaneously the emergence of pronounced oscillations in the spin-resolved densities and in the electron localization functions indicating a spatial electron localization showing ferrimagnetic order after both spin sub-systems have undergone the Wigner crystallization. The critical r(S)(c) at the transition point is substantially smaller than in a fully spin-polarized system and decreases further with decreasing ring width. Relaxing the constraint of a fixed spin magnetic moment, we find that on increasing r(S) the stable phase changes from an unpolarized Fermi liquid to an antiferromagnetic Wigner crystal and finally to a fully polarized Fermi liquid. © 2011 IOP Publishing Ltd

Computational Equilibrium Thermodynamic and Kinetic Analysis of K-Ras Dimerization through an Effector Binding Surface Suggests Limited Functional Role.

PubMed

Sayyed-Ahmad, Abdallah; Cho, Kwang-Jin; Hancock, John F; Gorfe, Alemayehu A

2016-08-25

Dimer formation is believed to have a substantial impact on regulating K-Ras function. However, the evidence for dimerization and the molecular details of the process are scant. In this study, we characterize a K-Ras pseudo-C2-symmetric dimerization interface involving the effector interacting β2-strand. We used structure matching and all-atom molecular dynamics (MD) simulations to predict, refine, and investigate the stability of this interface. Our MD simulation suggested that the β2-dimer is potentially stable and remains relatively close to its initial conformation due to the presence of a number of hydrogen bonds, ionic salt bridges, and other favorable interactions. We carried out potential of mean force calculations to determine the relative binding strength of the interface. The results of these calculations indicated that the β2 dimerization interface provides a weak binding free energy in solution and a dissociation constant that is close to 1 mM. Analyses of Brownian dynamics simulations suggested an association rate kon ≈ 10(5)-10(6) M(-1) s(-1). Combining these observations with available literature data, we propose that formation of auto-inhibited β2 K-Ras dimers is possible but its fraction in cells is likely very small under normal physiologic conditions.

Is DTPA a good competing chelating agent for Th(IV) in human serum and suitable in targeted alpha therapy?

PubMed

Le Du, Alicia; Sabatié-Gogova, Andrea; Morgenstern, Alfred; Montavon, Gilles

2012-04-01

The interaction between thorium and human serum components was studied using difference ultraviolet spectroscopy (DUS), ultrafiltration and high-pressure-anion exchange chromatography (HPAEC) with external inductively conducted plasma mass spectrometry (ICP-MS) analysis. Experimental data are compared with modelling results based on the law of mass action. Human serum transferrin (HSTF) interacts strongly with Th(IV), forming a ternary complex including two synergistic carbonate anions. This complex governs Th(IV) speciation under blood serum conditions. Considering the generally used Langmuir-type model, values of 10(33.5) and 10(32.5) were obtained for strong and weak sites, respectively. We showed that trace amounts of diethylene triamine pentaacetic acid (DTPA) cannot complex Th(IV) in the blood serum at equilibrium. Unexpectedly this effect is not related to the competition with HSTF but is due to the strong competition with major divalent metal ions for DTPA. However, Th-DTPA complex was shown to be stable for a few hours when it is formed before addition in the biological medium; this is related to the high kinetic stability of the complex. This makes DTPA a potential chelating agent for synthesis of (226)Th-labelled biomolecules for application in targeted alpha therapy. Copyright © 2011 Elsevier Inc. All rights reserved.

Metabolic and Demographic Feedbacks Shape the Emergent Spatial Structure and Function of Microbial Communities

PubMed Central

Estrela, Sylvie; Brown, Sam P.

2013-01-01

Microbes are predominantly found in surface-attached and spatially structured polymicrobial communities. Within these communities, microbial cells excrete a wide range of metabolites, setting the stage for interspecific metabolic interactions. The links, however, between metabolic and ecological interactions (functional relationships), and species spatial organization (structural relationships) are still poorly understood. Here, we use an individual-based modelling framework to simulate the growth of a two-species surface-attached community where food (resource) is traded for detoxification (service) and investigate how metabolic constraints of individual species shape the emergent structural and functional relationships of the community. We show that strong metabolic interdependence drives the emergence of mutualism, robust interspecific mixing, and increased community productivity. Specifically, we observed a striking and highly stable emergent lineage branching pattern, generating a persistent lineage mixing that was absent when the metabolic exchange was removed. These emergent community properties are driven by demographic feedbacks, such that aid from neighbouring cells directly enhances focal cell growth, which in turn feeds back to neighbour fecundity. In contrast, weak metabolic interdependence drives conflict (exploitation or competition), and in turn greater interspecific segregation. Together, these results support the idea that species structural and functional relationships represent the net balance of metabolic interdependencies. PMID:24385891

Crystal structure, vibrational and theoretical studies of bis(4-amino-1,2,4-triazolium) hexachloridostannate(IV)

NASA Astrophysics Data System (ADS)

Daszkiewicz, Marek; Marchewka, Mariusz K.

2012-06-01

X-ray structure of new hybrid organic-inorganic compound, bis(4-amino-1,2,4-triazolium) hexachloridostannate(IV), [1t(4at)]2SnCl6 (P1¯ space group) was determined. Crystal structure of 4-amino-1,2,4-triazole (Pbca space group) was reinvestigated. Non-planar orientation of NH2 group was found. The geometry of the amino group does not significantly change upon protonation. The route of protonation of 4-aminotriazole and tautomer equilibrium constants for the cationic forms were theoretically studied by means of B3LYP/6-31G* method. The most stable monoprotonated species is 1H-trans-4-amino-1,2,4-triazole, 1t(4at)+, whereas the final product of the protonation route is 12(4at)2+. Potential Energy Distribution (PED) analysis was carried out for two conformers, 1c(4at)+ and 1t(4at)+. Very good agreement between theoretical and experimental frequencies was achieved due to very weak interactions existing in [1t(4at)]2SnCl6. Infrared and Raman bands were assigned on the basis of PED analysis. Comparison of vibrational spectra of [1t(4at)]2SnCl6 and [1t(4at)]Cl indicates significantly weaker intermolecular interactions in the former compound.

Biomolecular Dynamics: Order-Disorder Transitions and Energy Landscapes

PubMed Central

Whitford, Paul C.; Sanbonmatsu, Karissa Y.; Onuchic, José N.

2013-01-01

While the energy landscape theory of protein folding is now a widely accepted view for understanding how relatively-weak molecular interactions lead to rapid and cooperative protein folding, such a framework must be extended to describe the large-scale functional motions observed in molecular machines. In this review, we discuss 1) the development of the energy landscape theory of biomolecular folding, 2) recent advances towards establishing a consistent understanding of folding and function, and 3) emerging themes in the functional motions of enzymes, biomolecular motors, and other biomolecular machines. Recent theoretical, computational, and experimental lines of investigation are providing a very dynamic picture of biomolecular motion. In contrast to earlier ideas, where molecular machines were thought to function similarly to macroscopic machines, with rigid components that move along a few degrees of freedom in a deterministic fashion, biomolecular complexes are only marginally stable. Since the stabilizing contribution of each atomic interaction is on the order of the thermal fluctuations in solution, the rigid body description of molecular function must be revisited. An emerging theme is that functional motions encompass order-disorder transitions and structural flexibility provide significant contributions to the free-energy. In this review, we describe the biological importance of order-disorder transitions and discuss the statistical-mechanical foundation of theoretical approaches that can characterize such transitions. PMID:22790780

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.

A Formal Theory for Modular ERDF Ontologies

NASA Astrophysics Data System (ADS)

Analyti, Anastasia; Antoniou, Grigoris; Damásio, Carlos Viegas

The success of the Semantic Web is impossible without any form of modularity, encapsulation, and access control. In an earlier paper, we extended RDF graphs with weak and strong negation, as well as derivation rules. The ERDF #n-stable model semantics of the extended RDF framework (ERDF) is defined, extending RDF(S) semantics. In this paper, we propose a framework for modular ERDF ontologies, called modular ERDF framework, which enables collaborative reasoning over a set of ERDF ontologies, while support for hidden knowledge is also provided. In particular, the modular ERDF stable model semantics of modular ERDF ontologies is defined, extending the ERDF #n-stable model semantics. Our proposed framework supports local semantics and different points of view, local closed-world and open-world assumptions, and scoped negation-as-failure. Several complexity results are provided.

Sharper Graph-Theoretical Conditions for the Stabilization of Complex Reaction Networks

PubMed Central

Knight, Daniel; Shinar, Guy; Feinberg, Martin

2015-01-01

Across the landscape of all possible chemical reaction networks there is a surprising degree of stable behavior, despite what might be substantial complexity and nonlinearity in the governing differential equations. At the same time there are reaction networks, in particular those that arise in biology, for which richer behavior is exhibited. Thus, it is of interest to understand network-structural features whose presence enforces dull, stable behavior and whose absence permits the dynamical richness that might be necessary for life. We present conditions on a network’s Species-Reaction Graph that ensure a high degree of stable behavior, so long as the kinetic rate functions satisfy certain weak and natural constraints. These graph-theoretical conditions are considerably more incisive than those reported earlier. PMID:25600138

Stable multi-domain spectral penalty methods for fractional partial differential equations

NASA Astrophysics Data System (ADS)

Xu, Qinwu; Hesthaven, Jan S.

2014-01-01

We propose stable multi-domain spectral penalty methods suitable for solving fractional partial differential equations with fractional derivatives of any order. First, a high order discretization is proposed to approximate fractional derivatives of any order on any given grids based on orthogonal polynomials. The approximation order is analyzed and verified through numerical examples. Based on the discrete fractional derivative, we introduce stable multi-domain spectral penalty methods for solving fractional advection and diffusion equations. The equations are discretized in each sub-domain separately and the global schemes are obtained by weakly imposed boundary and interface conditions through a penalty term. Stability of the schemes are analyzed and numerical examples based on both uniform and nonuniform grids are considered to highlight the flexibility and high accuracy of the proposed schemes.

Molecular Mechanistic Insights into the Endothelial Receptor Mediated Cytoadherence of Plasmodium falciparum-Infected Erythrocytes

PubMed Central

Li, Ang; Lim, Tong Seng; Shi, Hui; Yin, Jing; Tan, Swee Jin; Li, Zhengjun; Low, Boon Chuan; Tan, Kevin Shyong Wei; Lim, Chwee Teck

2011-01-01

Cytoadherence or sequestration is essential for the pathogenesis of the most virulent human malaria species, Plasmodium falciparum (P. falciparum). Similar to leukocyte-endothelium interaction in response to inflammation, cytoadherence of P. falciparum infected red blood cells (IRBCs) to endothelium occurs under physiological shear stresses in blood vessels and involves an array of molecule complexes which cooperate to form stable binding. Here, we applied single-molecule force spectroscopy technique to quantify the dynamic force spectra and characterize the intrinsic kinetic parameters for specific ligand-receptor interactions involving two endothelial receptor proteins: thrombospondin (TSP) and CD36. It was shown that CD36 mediated interaction was much more stable than that mediated by TSP at single molecule level, although TSP-IRBC interaction appeared stronger than CD36-IRBC interaction in the high pulling rate regime. This suggests that TSP-mediated interaction may initiate cell adhesion by capturing the fast flowing IRBCs whereas CD36 functions as the ‘holder’ for providing stable binding. PMID:21437286

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.

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.

Argumentation and Self: The Enactment of Identity in "Dances with Wolves."

ERIC Educational Resources Information Center

Lake, Randall A.

1997-01-01

States several postmodernist currents of thought have rejected the modernist faith in a stable, autonomous self (and the natural culture it inhabits) as a pernicious fiction. Argues for a dialectical view of self and culture, exploring the weaknesses of both modernist and postmodernist models through an analysis of "Dances with Wolves,"…

When Can Information from Ordinal Scale Variables Be Integrated?

ERIC Educational Resources Information Center

Kemp, Simon; Grace, Randolph C.

2010-01-01

Many theoretical constructs of interest to psychologists are multidimensional and derive from the integration of several input variables. We show that input variables that are measured on ordinal scales cannot be combined to produce a stable weakly ordered output variable that allows trading off the input variables. Instead a partial order is…

Plume meander and dispersion in a stable boundary layer

NASA Astrophysics Data System (ADS)

Hiscox, April L.; Miller, David R.; Nappo, Carmen J.

2010-11-01

Continuous lidar measurements of elevated plume dispersion and corresponding micrometeorology data are analyzed to establish the relationship between plume behavior and nocturnal boundary layer dynamics. Contrasting nights of data from the JORNADA field campaign in the New Mexico desert are analyzed. The aerosol lidar measurements were used to separate the plume diffusion (plume spread) from plume meander (displacement). Mutiresolution decomposition was used to separate the turbulence scale (<90 s) from the submesoscale (>90 s). Durations of turbulent kinetic energy stationarity and the wind steadiness were used to characterize the local scale and submesoscale turbulence. Plume meander, driven by submesoscale wind motions, was responsible for most of the total horizontal plume dispersion in weak and variable winds and strong stability. This proportion was reduced in high winds (i.e., >4 m s-1), weakly stable conditions but remained the dominant dispersion mechanism. The remainder of the plume dispersion in all cases was accounted for by internal spread of the plume, which is a small eddy diffusion process driven by turbulence. Turbulence stationarity and the wind steadiness are demonstrated to be closely related to plume diffusion and plume meander, respectively.

Unified nonlinear approach to both weak and strong-interaction problems. [heat transfer in hypersonic flow

NASA Technical Reports Server (NTRS)

Gupta, R. N.; Rodkiewicz, C. M.

1975-01-01

The numerical results are obtained for heat transfer, skin-friction, and viscous interaction induced pressure for a step-wise accelerated flat plate in hypersonic flow. In the unified approach here the results are presented for both weak and strong-interaction problems without employing any linearization scheme. With the help of the numerical method used in this work an accurate prediction of wall shear can be made for the problems with plate velocity changes of 1% or larger. The obtained results indicate that the transient contribution to the induced pressure for helium is greater than that for air.

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.

Plant-pollinator interactions in a biodiverse meadow are rather stable and tight for 3 consecutive years.

PubMed

Fang, Qiang; Huang, Shuangquan

2016-05-01

Plant-pollinator interactions can be highly variable across years in natural communities. Although variation in the species composition and its basic structure has been investigated to understand the dynamic nature of pollination networks, little is known about the temporal dynamic of interaction strength between the same plant and pollinator species in any natural community. Pollinator-mediated selection on the evolution of floral traits could be diminished if plant-pollinator interactions vary temporally. To quantify the temporal variation in plant-pollinator interactions and the interaction strength (observed visits), we compared weighted networks between plants and pollinators in a biodiverse alpine meadow in Shangri-La, southwest China for 3 consecutive years. Although plant-pollinator interactions were highly dynamic such that identical interactions only accounted for 10.7% of the total between pair years, the diversity of interactions was stable. These identical interactions contributed 41.2% of total visits and were similar in strength and weighted nestedness. For plant species, 72.6% of species were visited by identical pollinator species between pair years, accounting for over half of the total visits and three-quarters at the functional group level. More generalized pollinators contributed more connectiveness and were more central in networks across years. However, there was no similar or even opposite trend for plant species, which suggested that specialized plant species may also be central in pollinator networks. The variation in pollinator composition decreased as pollinator species numbers increased, suggesting that generalized plants experienced stable pollinator partition. The stable, tight interactions between generalized pollinators and specialized plants represent cornerstones of the studied community. © 2016 International Society of Zoological Sciences, Institute of Zoology/Chinese Academy of Sciences and John Wiley & Sons Australia, Ltd.

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.

Dynamically induced many-body localization

NASA Astrophysics Data System (ADS)

Choi, Soonwon; Abanin, Dmitry A.; Lukin, Mikhail D.

2018-03-01

We show that a quantum phase transition from ergodic to many-body localized (MBL) phases can be induced via periodic pulsed manipulation of spin systems. Such a transition is enabled by the interplay between weak disorder and slow heating rates. Specifically, we demonstrate that the Hamiltonian of a weakly disordered ergodic spin system can be effectively engineered, by using sufficiently fast coherent controls, to yield a stable MBL phase, which in turn completely suppresses the energy absorption from external control field. Our results imply that a broad class of existing many-body systems can be used to probe nonequilibrium phases of matter for a long time, limited only by coupling to external environment.

Molecular dynamics simulations study of nano bubble attachment at hydrophobic surfaces

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

Jin, Jiaqi; Dang, Liem X.; Miller, Jan D.

Bubble attachment phenomena are examined using Molecular Dynamics Simulations (MDS) for the first time. The simulation involves a nitrogen nano bubble containing 906 nitrogen molecules in a water phase with 74,000 water molecules at molybdenite surfaces. During a simulation period of 1 ns, film rupture and displacement occurs. The attached nanobubble at the hydrophobic molybdenite face surface results in a contact angle of about 90º. This spontaneous attachment is due to a “water exclusion zone” at the molybdenite face surface and can be explained by a van der Waals (vdW) attractive force, as discussed in the literature. In contrast, themore » film is stable at the hydrophilic quartz (001) surface and the bubble does not attach. Contact angles determined from MD simulations are reported, and these results agree well with experimental and MDS sessile drop results. In this way, film stability and bubble attachment are described with respect to interfacial water structure for surfaces of different polarity. Interfacial water molecules at the hydrophobic molybdenite face surface have relatively weak interactions with the surface when compared to the hydrophilic quartz (001) surface, as revealed by the presence of a 3 Å “water exclusion zone” at the molybdenite/water interface. The molybdenite armchair-edge and zigzag-edge surfaces show a comparably slow process for film rupture and displacement when compared to the molybdenite face surface, which is consistent with their relatively weak hydrophobic character.« less

Emergence of low-energy monopole strength in the neutron-rich calcium isotopes

NASA Astrophysics Data System (ADS)

Piekarewicz, J.

2017-10-01

Background: The isoscalar monopole response of neutron-rich nuclei is sensitive to both the incompressibility coefficient of symmetric nuclear matter and the density dependence of the symmetry energy. For exotic nuclei with a large neutron excess, a low-energy component emerges that is driven by transitions into the continuum. Purpose: While understanding the scaling of the giant monopole resonance with mass number is central to this work, the main goal of this paper is to explore the emergence, evolution, and origin of low-energy monopole strength along the even-even calcium isotopes: from 40Ca to 60Ca. Methods: The distribution of isoscalar monopole strength is computed in a relativistic random phase approximation (RPA) using three effective interactions that have been calibrated to the properties of finite nuclei and neutron stars. A nonspectral approach is adopted that allows for an exact treatment of the continuum without any reliance on discretization. This is particularly critical in the case of weakly bound nuclei with single-particle orbits near the continuum. The discretization of the continuum is neither required nor admitted. Results: For the stable calcium isotopes, no evidence of low-energy monopole strength is observed, even as the 1 f7 /2 neutron orbital is being filled and the neutron-skin thickness progressively grows. Further, in contrast to experimental findings, a mild softening of the monopole response with increasing mass number is predicted. Beyond 48Ca, a significant amount of low-energy monopole strength emerges as soon as the weak-binding neutron orbitals (2 p and 1 f5 /2 ) become populated. The emergence and evolution of low-energy strength is identified with transitions from these weakly bound states into the continuum—which is treated exactly in the RPA approach. Moreover, given that models with a soft symmetry energy tend to reach the neutron-drip line earlier than their stiffer counterparts, an inverse correlation is identified between the neutron-skin thickness and the inverse energy weighted sum. Conclusions: Despite experimental claims to the contrary, a mild softening of the giant monopole resonance is observed in going from 40Ca to 48Ca. Measurements for other stable calcium isotopes may be critical in elucidating the nature of the discrepancy. Moreover, given the early success in measuring the distribution of isoscalar monopole strength in the unstable 68Ni nucleus, new measurements along the unstable neutron-rich calcium isotopes are advocated in order to explore the critical role of the continuum in the development of a soft monopole mode.

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.

Behavior of the E-E' Bonds (E, E' = S and Se) in Glutathione Disulfide and Derivatives Elucidated by Quantum Chemical Calculations with the Quantum Theory of Atoms-in-Molecules Approach.

PubMed

Hayashi, Satoko; Tsubomoto, Yutaka; Nakanishi, Waro

2018-02-17

The nature of the E-E' bonds (E, E' = S and Se) in glutathione disulfide ( 1 ) and derivatives 2 - 3 , respectively, was elucidated by applying quantum theory of atoms-in-molecules (QTAIM) dual functional analysis (QTAIM-DFA), to clarify the basic contribution of E-E' in the biological redox process, such as the glutathione peroxidase process. Five most stable conformers a - e were obtained, after applying the Monte-Carlo method then structural optimizations. In QTAIM-DFA, total electron energy densities H b ( r c ) are plotted versus H b ( r c ) - V b ( r c )/2 at bond critical points (BCPs), where V b ( r c ) are potential energy densities at BCPs. Data from the fully optimized structures correspond to the static nature. Those containing perturbed structures around the fully optimized one in the plot represent the dynamic nature of interactions. The behavior of E-E' was examined carefully. Whereas E-E' in 1a - 3e were all predicted to have the weak covalent nature of the shared shell interactions, two different types of S-S were detected in 1 , depending on the conformational properties. Contributions from the intramolecular non-covalent interactions to stabilize the conformers were evaluated. An inverse relationship was observed between the stability of a conformer and the strength of E-E' in the conformer, of which reason was discussed.

Topological analysis (BCP) of vibrational spectroscopic studies, docking, RDG, DSSC, Fukui functions and chemical reactivity of 2-methylphenylacetic acid

NASA Astrophysics Data System (ADS)

Kavimani, M.; Balachandran, V.; Narayana, B.; Vanasundari, K.; Revathi, B.

2018-02-01

Experimental FT-IR and FT-Raman spectra of 2-methylphenylacetic acid (MPA) were recorded and theoretical values are also analyzed. The non-linear optical (NLO) properties were evaluated by determination of first (5.5053 × 10- 30 e.s.u.) and second hyper-polarizabilities (7.6833 × 10- 36 e.s.u.) of the title compound. The Multiwfn package is used to find the weak non-covalent interaction (Van der Wall interaction) and strong repulsion (steric effect) of the molecule and examined by reduced density gradient. The molecular electrostatic potential (MEP) analysis used to find the most reactive sites for the electrophilic and nucleophilic attack. The chemical activity (electronegativity, hardness, chemical softness and chemical potential) of the title compound was predicted with the help of HOMO-LUMO energy values. The natural bond orbital (NBO) has been analyzed the stability of the molecule arising from the hyper-conjugative interaction. DSSCs were discussed in structural modifications that improve the electron injection efficiency of the title compound (MPA). The Fukui functions are calculated in order to get information associated with the local reactivity properties of the title compound. The binding sites of the two receptors were reported by molecular docking field and active site bond distance is same 1.9 Å. The inhibitor of the title compound forms a stable complex with 1QYV and 2H1K proteins at the binding energies are - 5.38 and - 5.85 (Δ G in kcal/mol).

Combined effect of boundary layer recirculation factor and stable energy on local air quality in the Pearl River Delta over southern China.

PubMed

Li, Haowen; Wang, Baomin; Fang, Xingqin; Zhu, Wei; Fan, Qi; Liao, Zhiheng; Liu, Jian; Zhang, Asi; Fan, Shaojia

2018-03-01

Atmospheric boundary layer (ABL) has a significant impact on the spatial and temporal distribution of air pollutants. In order to gain a better understanding of how ABL affects the variation of air pollutants, atmospheric boundary layer observations were performed at Sanshui in the Pearl River Delta (PRD) region over southern China during the winter of 2013. Two types of typical ABL status that could lead to air pollution were analyzed comparatively: weak vertical diffusion ability type (WVDAT) and weak horizontal transportation ability type (WHTAT). Results show that (1) WVDAT was featured by moderate wind speed, consistent wind direction, and thick inversion layer at 600~1000 m above ground level (AGL), and air pollutants were restricted in the low altitudes due to the stable atmospheric structure; (2) WHTAT was characterized by calm wind, varied wind direction, and shallow intense ground inversion layer, and air pollutants accumulated in locally because of strong recirculation in the low ABL; (3) recirculation factor (RF) and stable energy (SE) were proved to be good indicators for horizontal transportation ability and vertical diffusion ability of the atmosphere, respectively. Combined utilization of RF and SE can be very helpful in the evaluation of air pollution potential of the ABL. Air quality data from ground and meteorological data collected from radio sounding in Sanshui in the Pearl River Delta showed that local air quality was poor when wind reversal was pronounced or temperature stratification state was stable. The combination of horizontal and vertical transportation ability of the local atmosphere should be taken into consideration when evaluating local environmental bearing capacity for air pollution.

Patterns of range-wide genetic variation in six North American bumble bee (Apidae: Bombus) species.

PubMed

Lozier, Jeffrey D; Strange, James P; Stewart, Isaac J; Cameron, Sydney A

2011-12-01

The increasing evidence for population declines in bumble bee (Bombus) species worldwide has accelerated research efforts to explain losses in these important pollinators. In North America, a number of once widespread Bombus species have suffered serious reductions in range and abundance, although other species remain healthy. To examine whether declining and stable species exhibit different levels of genetic diversity or population fragmentation, we used microsatellite markers to genotype populations sampled across the geographic distributions of two declining (Bombus occidentalis and Bombus pensylvanicus) and four stable (Bombus bifarius; Bombus vosnesenskii; Bombus impatiens and Bombus bimaculatus) Bombus species. Populations of declining species generally have reduced levels of genetic diversity throughout their range compared to codistributed stable species. Genetic diversity can be affected by overall range size and degree of isolation of local populations, potentially confounding comparisons among species in some cases. We find no evidence for consistent differences in gene flow among stable and declining species, with all species exhibiting weak genetic differentiation over large distances (e.g. >1000 km). Populations on islands and at high elevations experience relatively strong genetic drift, suggesting that some conditions lead to genetic isolation in otherwise weakly differentiated species. B. occidentalis and B. bifarius exhibit stronger genetic differentiation than the other species, indicating greater phylogeographic structure consistent with their broader geographic distributions across topographically complex regions of western North America. Screening genetic diversity in North American Bombus should prove useful for identifying species that warrant monitoring, and developing management strategies that promote high levels of gene flow will be a key component in efforts to maintain healthy populations. © 2011 Blackwell Publishing Ltd.

Defining a stable water isotope framework for isotope hydrology application in a large trans-boundary watershed (Russian Federation/Ukraine).

PubMed

Vystavna, Yuliya; Diadin, Dmytro; Huneau, Frédéric

2018-05-01

Stable isotopes of hydrogen ( 2 H) and oxygen ( 18 O) of the water molecule were used to assess the relationship between precipitation, surface water and groundwater in a large Russia/Ukraine trans-boundary river basin. Precipitation was sampled from November 2013 to February 2015, and surface water and groundwater were sampled during high and low flow in 2014. A local meteoric water line was defined for the Ukrainian part of the basin. The isotopic seasonality in precipitation was evident with depletion in heavy isotopes in November-March and an enrichment in April-October, indicating continental and temperature effects. Surface water was enriched in stable water isotopes from upstream to downstream sites due to progressive evaporation. Stable water isotopes in groundwater indicated that recharge occurs mainly during winter and spring. A one-year data set is probably not sufficient to report the seasonality of groundwater recharge, but this survey can be used to identify the stable water isotopes framework in a weakly gauged basin for further hydrological and geochemical studies.

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

Palpation simulator with stable haptic feedback.

PubMed

Kim, Sang-Youn; Ryu, Jee-Hwan; Lee, WooJeong

2015-01-01

The main difficulty in constructing palpation simulators is to compute and to generate stable and realistic haptic feedback without vibration. When a user haptically interacts with highly non-homogeneous soft tissues through a palpation simulator, a sudden change of stiffness in target tissues causes unstable interaction with the object. We propose a model consisting of a virtual adjustable damper and an energy measuring element. The energy measuring element gauges energy which is stored in a palpation simulator and the virtual adjustable damper dissipates the energy to achieve stable haptic interaction. To investigate the haptic behavior of the proposed method, impulse and continuous inputs are provided to target tissues. If a haptic interface point meets with the hardest portion in the target tissues modeled with a conventional method, we observe unstable motion and feedback force. However, when the target tissues are modeled with the proposed method, a palpation simulator provides stable interaction without vibration. The proposed method overcomes a problem in conventional haptic palpation simulators where unstable force or vibration can be generated if there is a big discrepancy in material property between an element and its neighboring elements in target tissues.

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

tRNAGlu increases the affinity of glutamyl-tRNA synthetase for its inhibitor glutamyl-sulfamoyl-adenosine, an analogue of the aminoacylation reaction intermediate glutamyl-AMP: mechanistic and evolutionary implications.

PubMed

Blais, Sébastien P; Kornblatt, Jack A; Barbeau, Xavier; Bonnaure, Guillaume; Lagüe, Patrick; Chênevert, Robert; Lapointe, Jacques

2015-01-01

For tRNA-dependent protein biosynthesis, amino acids are first activated by aminoacyl-tRNA synthetases (aaRSs) yielding the reaction intermediates aminoacyl-AMP (aa-AMP). Stable analogues of aa-AMP, such as aminoacyl-sulfamoyl-adenosines, inhibit their cognate aaRSs. Glutamyl-sulfamoyl-adenosine (Glu-AMS) is the best known inhibitor of Escherichia coli glutamyl-tRNA synthetase (GluRS). Thermodynamic parameters of the interactions between Glu-AMS and E. coli GluRS were measured in the presence and in the absence of tRNA by isothermal titration microcalorimetry. A significant entropic contribution for the interactions between Glu-AMS and GluRS in the absence of tRNA or in the presence of the cognate tRNAGlu or of the non-cognate tRNAPhe is indicated by the negative values of -TΔSb, and by the negative value of ΔCp. On the other hand, the large negative enthalpy is the dominant contribution to ΔGb in the absence of tRNA. The affinity of GluRS for Glu-AMS is not altered in the presence of the non-cognate tRNAPhe, but the dissociation constant Kd is decreased 50-fold in the presence of tRNAGlu; this result is consistent with molecular dynamics results indicating the presence of an H-bond between Glu-AMS and the 3'-OH oxygen of the 3'-terminal ribose of tRNAGlu in the Glu-AMS•GluRS•tRNAGlu complex. Glu-AMS being a very close structural analogue of Glu-AMP, its weak binding to free GluRS suggests that the unstable Glu-AMP reaction intermediate binds weakly to GluRS; these results could explain why all the known GluRSs evolved to activate glutamate only in the presence of tRNAGlu, the coupling of glutamate activation to its transfer to tRNA preventing unproductive cleavage of ATP.

tRNAGlu Increases the Affinity of Glutamyl-tRNA Synthetase for Its Inhibitor Glutamyl-Sulfamoyl-Adenosine, an Analogue of the Aminoacylation Reaction Intermediate Glutamyl-AMP: Mechanistic and Evolutionary Implications

PubMed Central

Blais, Sébastien P.; Kornblatt, Jack A.; Barbeau, Xavier; Bonnaure, Guillaume; Lagüe, Patrick; Chênevert, Robert; Lapointe, Jacques

2015-01-01

For tRNA-dependent protein biosynthesis, amino acids are first activated by aminoacyl-tRNA synthetases (aaRSs) yielding the reaction intermediates aminoacyl-AMP (aa-AMP). Stable analogues of aa-AMP, such as aminoacyl-sulfamoyl-adenosines, inhibit their cognate aaRSs. Glutamyl-sulfamoyl-adenosine (Glu-AMS) is the best known inhibitor of Escherichia coli glutamyl-tRNA synthetase (GluRS). Thermodynamic parameters of the interactions between Glu-AMS and E. coli GluRS were measured in the presence and in the absence of tRNA by isothermal titration microcalorimetry. A significant entropic contribution for the interactions between Glu-AMS and GluRS in the absence of tRNA or in the presence of the cognate tRNAGlu or of the non-cognate tRNAPhe is indicated by the negative values of –TΔSb, and by the negative value of ΔCp. On the other hand, the large negative enthalpy is the dominant contribution to ΔGb in the absence of tRNA. The affinity of GluRS for Glu-AMS is not altered in the presence of the non-cognate tRNAPhe, but the dissociation constant K d is decreased 50-fold in the presence of tRNAGlu; this result is consistent with molecular dynamics results indicating the presence of an H-bond between Glu-AMS and the 3’-OH oxygen of the 3’-terminal ribose of tRNAGlu in the Glu-AMS•GluRS•tRNAGlu complex. Glu-AMS being a very close structural analogue of Glu-AMP, its weak binding to free GluRS suggests that the unstable Glu-AMP reaction intermediate binds weakly to GluRS; these results could explain why all the known GluRSs evolved to activate glutamate only in the presence of tRNAGlu, the coupling of glutamate activation to its transfer to tRNA preventing unproductive cleavage of ATP. PMID:25860020

Performance Optimization Design for a High-Speed Weak FBG Interrogation System Based on DFB Laser.

PubMed

Yao, Yiqiang; Li, Zhengying; Wang, Yiming; Liu, Siqi; Dai, Yutang; Gong, Jianmin; Wang, Lixin

2017-06-22

A performance optimization design for a high-speed fiber Bragg grating (FBG) interrogation system based on a high-speed distributed feedback (DFB) swept laser is proposed. A time-division-multiplexing sensor network with identical weak FBGs is constituted to realize high-capacity sensing. In order to further improve the multiplexing capacity, a waveform repairing algorithm is designed to extend the dynamic demodulation range of FBG sensors. It is based on the fact that the spectrum of an FBG keeps stable over a long period of time. Compared with the pre-collected spectra, the distorted spectra waveform are identified and repaired. Experimental results show that all the identical weak FBGs are distinguished and demodulated at the speed of 100 kHz with a linearity of above 0.99, and the range of dynamic demodulation is extended by 40%.

Performance Optimization Design for a High-Speed Weak FBG Interrogation System Based on DFB Laser

PubMed Central

Yao, Yiqiang; Li, Zhengying; Wang, Yiming; Liu, Siqi; Dai, Yutang; Gong, Jianmin; Wang, Lixin

2017-01-01

A performance optimization design for a high-speed fiber Bragg grating (FBG) interrogation system based on a high-speed distributed feedback (DFB) swept laser is proposed. A time-division-multiplexing sensor network with identical weak FBGs is constituted to realize high-capacity sensing. In order to further improve the multiplexing capacity, a waveform repairing algorithm is designed to extend the dynamic demodulation range of FBG sensors. It is based on the fact that the spectrum of an FBG keeps stable over a long period of time. Compared with the pre-collected spectra, the distorted spectra waveform are identified and repaired. Experimental results show that all the identical weak FBGs are distinguished and demodulated at the speed of 100 kHz with a linearity of above 0.99, and the range of dynamic demodulation is extended by 40%. PMID:28640187

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.

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.

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.

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.

Towards Stable CuZnAl Slurry Catalysts for the Synthesis of Ethanol from Syngas

NASA Astrophysics Data System (ADS)

Dong, Weibing; Gao, Zhihua; Zhang, Qian; Huang, Wei

2018-07-01

A stable CuZnAl slurry catalyst for the synthesis of ethanol from syngas has been developed by adjusting the heat treatment conditions of the complete liquid-phase method. The activity evaluation results showed that the CuZnAl catalyst, when heat-treated under a high pressure and temperature, was a stable catalyst for the synthesis of ethanol. The selectivity of ethanol using the CuZnAl slurry catalyst, which was heat-treated at 553 K under 4.0 MPa, increased continuously with time and was stable at approximately 26.00% after 144 h. The characterization results indicated that the CuZnAl slurry catalyst heat-treated under high pressure conditions could facilitate the formation of a more perfect structure with a larger specific surface area. The prepared catalyst contained a balance of strong and weak acid sites, an appropriate form of Cu2O and a high Cu/Zn atomic ratio at the catalyst surface, providing its stability in ethanol synthesis from syngas.

Energetic Level Scheme of the Stable S=-2 Dihyperon

NASA Astrophysics Data System (ADS)

Aslanyan, P. Z.; Shahbazian, B. A.

2001-11-01

The quark and soliton Skyrme-type models predict the two different sets of S=-2 stable dibaryon states. The lowest state of the quark model set is an I=0, Jπ = 0+, MH0 < 2MΛ isosinglet dibaryon, whereas that of solyton Skyrme-type model set is an I=1,Jπ = 0, MH-,H0,H+ ≈ 2370 MeV/c2 isotriplet dibaryon. On photographs of the JINR LHE 2m propane bubble chamber exposed to 10 GeV/c proton beam two groups of events interpreted as S=-2 stable dibaryons were observed [1-7]. Quasi-diffractive process plays the decisive role in dihyperon production. The average life for weak decay of stable dihyperons exceeds 3.3 10-10 s. Several Ξ- hyperons have been registrated in these collisions with an effective cross section of 1300-600 nb. The formally estimated effective cross section for H dibaryon production in propane at a momentum of 10 GeV/c is 100 nb.

Estimation of Dry Fracture Weakness, Porosity, and Fluid Modulus Using Observable Seismic Reflection Data in a Gas-Bearing Reservoir

NASA Astrophysics Data System (ADS)

Chen, Huaizhen; Zhang, Guangzhi

2017-05-01

Fracture detection and fluid identification are important tasks for a fractured reservoir characterization. Our goal is to demonstrate a direct approach to utilize azimuthal seismic data to estimate fluid bulk modulus, porosity, and dry fracture weaknesses, which decreases the uncertainty of fluid identification. Combining Gassmann's (Vier. der Natur. Gesellschaft Zürich 96:1-23, 1951) equations and linear-slip model, we first establish new simplified expressions of stiffness parameters for a gas-bearing saturated fractured rock with low porosity and small fracture density, and then we derive a novel PP-wave reflection coefficient in terms of dry background rock properties (P-wave and S-wave moduli, and density), fracture (dry fracture weaknesses), porosity, and fluid (fluid bulk modulus). A Bayesian Markov chain Monte Carlo nonlinear inversion method is proposed to estimate fluid bulk modulus, porosity, and fracture weaknesses directly from azimuthal seismic data. The inversion method yields reasonable estimates in the case of synthetic data containing a moderate noise and stable results on real data.

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.

Multiscale description of mercury intrusion curves from an Oxisol and the residual saprolite left after deep profile excavation

NASA Astrophysics Data System (ADS)

Vidal Vázquez, Eva; Kitamura, Aline E.; Alves, Marlene C.; Miranda, José G. V.; Paz Ferreiro, Jorge

2010-05-01

Oxisols are highly weathered soils with a thick profile that are found primarily in the intertropical regions of the world. Brazilian Oxisols are characterized by 1:1 low activity clays a weak macrostructure and a strong microgranular structure, which results in very stable aggregates (pseudosand) at the

Topological Quantum Information in a 3D Neutral Atom Array

DTIC Science & Technology

2015-01-02

being only weakly in the Lamb-Dicke Figure 1: Projection sideband cooling. The pink curves show the (from left to right) Δn=+1,0,-1 and-2 transitions...45 154012 (2012). 4. C. Knoernschild, T. Kim, P. Maunz, S. G. Crain, and J. Kim, “Stable optical phase modulation with micromirrors ,” Opt. Express

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.

Stiff, Thermally Stable and Highly Anisotropic Wood-Derived Carbon Composite Monoliths for Electromagnetic Interference Shielding.

PubMed

Yuan, Ye; Sun, Xianxian; Yang, Minglong; Xu, Fan; Lin, Zaishan; Zhao, Xu; Ding, Yujie; Li, Jianjun; Yin, Weilong; Peng, Qingyu; He, Xiaodong; Li, Yibin

2017-06-28

Electromagnetic interference (EMI) shielding materials for electronic devices in aviation and aerospace not only need lightweight and high shielding effectiveness, but also should withstand harsh environments. Traditional EMI shielding materials often show heavy weight, poor thermal stability, short lifetime, poor tolerance to chemicals, and are hard-to-manufacture. Searching for high-efficiency EMI shielding materials overcoming the above weaknesses is still a great challenge. Herein, inspired by the unique structure of natural wood, lightweight and highly anisotropic wood-derived carbon composite EMI shielding materials have been prepared which possess not only high EMI shielding performance and mechanical stable characteristics, but also possess thermally stable properties, outperforming those metals, conductive polymers, and their composites. The newly developed low-cost materials are promising for specific applications in aerospace electronic devices, especially regarding extreme temperatures.

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.…

Characterization of Weak Convergence of Probability-Valued Solutions of General One-Dimensional Kinetic Equations

NASA Astrophysics Data System (ADS)

Perversi, Eleonora; Regazzini, Eugenio

2015-05-01

For a general inelastic Kac-like equation recently proposed, this paper studies the long-time behaviour of its probability-valued solution. In particular, the paper provides necessary and sufficient conditions for the initial datum in order that the corresponding solution converges to equilibrium. The proofs rest on the general CLT for independent summands applied to a suitable Skorokhod representation of the original solution evaluated at an increasing and divergent sequence of times. It turns out that, roughly speaking, the initial datum must belong to the standard domain of attraction of a stable law, while the equilibrium is presentable as a mixture of stable laws.

Adsorption mechanisms of metal ions on the potassium dihydrogen phosphate (1 0 0) surface: A density functional theory-based investigation.

PubMed

Wu, Yulin; Zhang, Lei; Liu, Yao; Qu, Yunpeng

2018-07-15

The adsorption of metal ions (K + , Na + , Ca 2+ , Cu 2+ , Al 3+ , Cr 3+ ) on the (1 0 0) surface of potassium dihydrogen phosphate (KDP) has been studied using density functional theory (DFT). Calculation results show that all the investigated metal ions can be spontaneously adsorbed on the surface with negative adsorption energies. The adsorption stability increases in the order of Na +  < K +  < Cu 2+  < Ca 2+  < Al 3+  < Cr 3+ , and shows a consistent trend as the adsorbed metal ion valence (monovalent < divalent < trivalent). Three types of stable adsorption configurations are observed, corresponding to three different bonding mechanisms. Na + , K + and Ca 2+ ions with a large radius can form two ionic bonds and one weak covalent bond with the O and H atoms respectively. In addition, the medium-sized ion of Cu 2+ forms two covalent bonds with the O and H atoms. Furthermore, Al 3+ and Cr 3+ ions with the smallest radius form two metal-oxygen and one metal-hydrogen covalent bonds with the surface, making one H-O bond broken. Compared with other metal ions, Al 3+ and Cr 3+ have the strongest interactions with the surface, which can be explained by the significant electron transfer and more stable covalent bond formations between these two ions and the surface. Copyright © 2018 Elsevier Inc. All rights reserved.

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.

Hypermagnesemia disturbances in rats, NO-related: pentadecapeptide BPC 157 abrogates, L-NAME and L-arginine worsen.

PubMed

Medvidovic-Grubisic, Maria; Stambolija, Vasilije; Kolenc, Danijela; Katancic, Jadranka; Murselovic, Tamara; Plestina-Borjan, Ivna; Strbe, Sanja; Drmic, Domagoj; Barisic, Ivan; Sindic, Aleksandra; Seiwerth, Sven; Sikiric, Predrag

2017-08-01

Stable gastric pentadecapeptide BPC 157, administered before a high-dose magnesium injection in rats, might be a useful peptide therapy against magnesium toxicity and the magnesium-induced effect on cell depolarization. Moreover, this might be an NO-system-related effect. Previously, BPC 157 counteracts paralysis, arrhythmias and hyperkalaemia, extreme muscle weakness; parasympathetic and neuromuscular blockade; injured muscle healing and interacts with the NOS-blocker and NOS-substrate effects. Assessment included magnesium sulfate (560 mg/kg intraperitoneally)-induced muscle weakness, muscle and brain lesions, hypermagnesemia, hyperkalaemia, increased serum enzyme values assessed in rats during and at the end of a 30-min period and medication (given intraperitoneally/kg at 15 min before magnesium) [BPC 157 (10 µg, 10 ng), L-NAME (5 mg), L-arginine (100 mg), alone and/or together]. In HEK293 cells, the increasing magnesium concentration from 1 to 5 mM could depolarize the cells at 1.75 ± 0.44 mV. L-NAME + magnesium-rats and L-arginine + magnesium-rats exhibited worsened severe muscle weakness and lesions, brain lesions, hypermagnesemia and serum enzymes values, with emerging hyperkalaemia. However, L-NAME + L-arginine + magnesium-rats exhibited all control values and normokalaemia. BPC 157 abrogated hypermagnesemia and counteracted all of the magnesium-induced disturbances (including those aggravated by L-NAME or L-arginine). Thus, cell depolarization due to increasing magnesium concentration was inhibited in the presence of BPC 157 (1 µM) in vitro. BPC 157 likely counteracts the initial event leading to hypermagnesemia and the life-threatening actions after a magnesium overdose. In contrast, a worsened clinical course, higher hypermagnesemia, and emerging hyperkalaemia might cause both L-NAME and L-arginine to affect the same events adversely. These events were also opposed by BPC 157.

Matter-wave solitons in nonlinear optical lattices

NASA Astrophysics Data System (ADS)

Sakaguchi, Hidetsugu; Malomed, Boris A.

2005-10-01

We introduce a dynamical model of a Bose-Einstein condensate based on the one-dimensional (1D) Gross-Pitaevskii equation (GPE) with a nonlinear optical lattice (NOL), which is represented by the cubic term whose coefficient is periodically modulated in the coordinate. The model describes a situation when the atomic scattering length is spatially modulated, via the optically controlled Feshbach resonance, in an optical lattice created by interference of two laser beams. Relatively narrow solitons supported by the NOL are predicted by means of the variational approximation (VA), and an averaging method is applied to broad solitons. A different feature is a minimum norm (number of atoms), N=Nmin , necessary for the existence of solitons. The VA predicts Nmin very accurately. Numerical results are chiefly presented for the NOL with the zero spatial average value of the nonlinearity coefficient. Solitons with values of the amplitude A larger than at N=Nmin are stable. Unstable solitons with smaller, but not too small, A rearrange themselves into persistent breathers. For still smaller A , the soliton slowly decays into radiation without forming a breather. Broad solitons with very small A are practically stable, as their decay is extremely slow. These broad solitons may freely move across the lattice, featuring quasielastic collisions. Narrow solitons, which are strongly pinned to the NOL, can easily form stable complexes. Finally, the weakly unstable low-amplitude solitons are stabilized if a cubic term with a constant coefficient, corresponding to weak attraction, is included in the GPE.

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.