Neutrino Opacity in High Density Nuclear Matter

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

Santos, Sergio M. dos; Razeira, Moises; Vasconcellos, Cesar A.Z.

2004-12-02

We estimate the contribution of the nucleon weak magnetism on the neutrino absorption mean free path inside high density nuclear matter. In the mean field approach, three different ingredients are taken into account: (a) a relativistic generalization of the approach developed by Sanjay et al.; (b) the inclusion of the nucleon weak-magnetism (c) and the pseudo-scalar interaction involving the nucleons. Our main result shows that the neutrino absorption mean free path is three times the corresponding result obtained by those authors.

Testing the Standard Model by precision measurement of the weak charges of quarks

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

Ross Young; Roger Carlini; Anthony Thomas

In a global analysis of the latest parity-violating electron scattering measurements on nuclear targets, we demonstrate a significant improvement in the experimental knowledge of the weak neutral-current lepton-quark interactions at low-energy. The precision of this new result, combined with earlier atomic parity-violation measurements, limits the magnitude of possible contributions from physics beyond the Standard Model - setting a model-independent, lower-bound on the scale of new physics at ~1 TeV.

Testing the standard model by precision measurement of the weak charges of quarks.

PubMed

Young, R D; Carlini, R D; Thomas, A W; Roche, J

2007-09-21

In a global analysis of the latest parity-violating electron scattering measurements on nuclear targets, we demonstrate a significant improvement in the experimental knowledge of the weak neutral-current lepton-quark interactions at low energy. The precision of this new result, combined with earlier atomic parity-violation measurements, places tight constraints on the size of possible contributions from physics beyond the standard model. Consequently, this result improves the lower-bound on the scale of relevant new physics to approximately 1 TeV.

Personality and Career Decision Making.

ERIC Educational Resources Information Center

Malik, Har G. S.

The hypotheses tested that (1) anxiety and (2) extraversion (exvia) would be negatively related to career making ability. Variables defined as contributing to anxiety included ego weakness, excitability, low superego strength, threat sensitivity and high ergic tension. Extraversion was considered the "general tendency to social interaction" with…

Singular temperature dependence of the equation of state of superconductors with spin–orbit interaction in the low-temperature region

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

Ovchinnikov, Yu. N., E-mail: ovc@itp.ac.ru

The equation of state is investigated for a thin superconducting film in a longitudinal magnetic field and with strong spin-orbit interaction at the critical point. As a first step, the state with the maximal value of the magnetic field for a given value of spin–orbit interaction at T = 0 is chosen. This state is investigated in the low-temperature region. The temperature contribution to the equation of state is weakly singular.

Control of gel swelling and phase separation of weakly charged thermoreversible gels by salt addition

PubMed Central

Solis, Francisco J.; Vernon, Brent

2009-01-01

Doping of thermoreversible polymer gels with charged monomers provides a way to control phase separation and gelation conditions by coupling the properties of the gel with a tunable ionic environment. We analyze the dependence of the gelation and phase separation conditions on the amount of salt present using a mean field model of weakly charged associative polymers. The ions and co-ions present are explicitly considered at the mean field level, and we determine their concentrations in the different equilibrium phases when the system undergoes phase separation. For weak polymer charge, the entropic contributions of the ions to the free energy of the system play a central role in the determination of the location of phase equilibrium. In the simplest case, when the associative interaction responsible for gel formation is independent of the electrostatic interaction, the addition of salt changes the polymer equilibrium concentrations and indirectly changes the measurable swelling of the gel. We construct phase diagrams of these systems showing the location of the coexistence region, the gel-sol boundary and the location of the tie-lines. We determine the swelling of the gel within the co-existence region. Our main result is that the description of the effect of the salt on the properties of the weakly charged gel can be described through an extra contribution to the effective immiscibility parameter χ proportional to the square of the doping degree f2 and to the inverse square of the added salt concentration s−2. PMID:19759854

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.

Inhomogeneous fluid of penetrable-spheres: Application of the random phase approximation

NASA Astrophysics Data System (ADS)

Xiang, Yan; Frydel, Derek

2017-05-01

The focus of the present work is the application of the random phase approximation (RPA), derived for inhomogeneous fluids [Frydel and Ma, Phys. Rev. E 93, 062112 (2016)], to penetrable-spheres. As penetrable-spheres transform into hard-spheres with increasing interactions, they provide an interesting case for exploring the RPA, its shortcomings, and limitations, the weak- versus the strong-coupling limit. Two scenarios taken up by the present study are a one-component and a two-component fluid with symmetric interactions. In the latter case, the mean-field contributions cancel out and any contributions from particle interactions are accounted for by correlations. The accuracy of the RPA for this case is the result of a somewhat lucky cancellation of errors.

Ab initio study of the Coulomb interaction in NbxCo clusters: Strong on-site versus weak nonlocal screening

NASA Astrophysics Data System (ADS)

Peters, L.; Şaşıoǧlu, E.; Mertig, I.; Katsnelson, M. I.

2018-01-01

By means of ab initio calculations in conjunction with the random-phase approximation (RPA) within the full-potential linearized augmented plane wave method, we study the screening of the Coulomb interaction in NbxCo (1 ≤x ≤9 ) clusters. In addition, these results are compared with pure bcc Nb bulk. We find that for all clusters the on-site Coulomb interaction in RPA is strongly screened, whereas the intersite nonlocal Coulomb interaction is weakly screened and for some clusters it is unscreened or even antiscreened. This is in strong contrast with pure Nb bulk, where the intersite Coulomb interaction is almost completely screened. Furthermore, constrained RPA calculations reveal that the contribution of the Co 3 d → 3 d channel to the total screening of the Co 3 d electrons is small. Moreover, we find that both the on-site and intersite Coulomb interaction parameters decrease in a reasonable approximation linearly with the cluster size and for clusters having more than 20 Nb atoms a transition from 0D to 3D screening is expected to take place.

Learning Companion Systems, Social Learning Systems, and the Global Social Learning Club.

ERIC Educational Resources Information Center

Chan, Tak-Wai

1996-01-01

Describes the development of learning companion systems and their contributions to the class of social learning systems that integrate artificial intelligence agents and use machine learning to tutor and interact with students. Outlines initial social learning projects, their programming languages, and weakness. Future improvements will include…

Spin noise spectroscopy of ZnO

NASA Astrophysics Data System (ADS)

Horn, H.; Berski, F.; Balocchi, A.; Marie, X.; Mansur-Al-Suleiman, M.; Bakin, A.; Waag, A.; Hübner, J.; Oestreich, M.

2013-12-01

We investigate the thermal equilibrium dynamics of electron spins bound to donors in nanoporous ZnO by optical spin noise spectroscopy. The spin noise spectra reveal two noise contributions: A weak spin noise signal from undisturbed localized donor electrons with a dephasing time of 24 ns due to hyperfine interaction and a strong spin noise signal with a spin dephasing time of 5 ns which we attribute to localized donor electrons which interact with lattice defects.

Hyperthermophilic archaeal prefoldin shows refolding activity at low temperature.

PubMed

Zako, Tamotsu; Banba, Shinya; Sahlan, Muhamad; Sakono, Masafumi; Terada, Naofumi; Yohda, Masafumi; Maeda, Mizuo

2010-01-01

Prefoldin is a molecular chaperone that captures a protein-folding intermediate and transfers it to a group II chaperonin for correct folding. Previous studies of archaeal prefoldins have shown that prefoldin only possesses holdase activity and is unable to fold unfolded proteins by itself. In this study, we have demonstrated for the first time that a prefoldin from hyperthermophilic archaeon, Pyrococcus horikoshii OT3 (PhPFD), exhibits refolding activity for denatured lysozyme at temperatures relatively lower than physiologically active temperatures. The interaction between PhPFD and denatured lysozyme was investigated by use of a surface plasmon resonance sensor at various temperatures. Although PhPFD showed strong affinity for denatured lysozyme at high temperature, it exhibited relatively weak interactions at lower temperature. The protein-folding seems to occur through binding and release from PhPFD by virtue of the weak affinity. Our results also imply that prefoldin might be able to contribute to the folding of some cellular proteins whose affinity with prefoldin is weak. Copyright 2009 Elsevier Inc. All rights reserved.

Effect of Cosmological Neutrinos on Discrimination Between the Two Enantiomers of a Chiral Molecule

NASA Astrophysics Data System (ADS)

Bargueño, Pedro; Gonzalo, Isabel

2006-04-01

In the framework of an extraterrestrial origin of biological homochirality, universal mechanisms are of particular interest. In this sense we consider the weak parity-violating neutrino-electron interaction through weak charged currents W ± between the relic flux of cosmological neutrinos and the electrons of a chiral molecule. We use the known theoretical result of the split in energy of the two helicity sates of an electron in the cosmic neutrino bath, due to weak charged currents. In the case that electrons of a chiral molecule are submitted to a helicoidal potential due to the nuclear conformation, these electrons have opposite helicities for the two enantiomers of the molecule and consequently the mentioned neutrino-electron interaction would produce a splitting in energy between the two enantiomers. An estimation of this energy for the case of a single electron yields a small value of the order of 10-26 eV. This value results amplified by the contribution of all the molecular electrons having helicity and other possible mechanisms.

Is there an attractive interaction between two methyl groups?

NASA Astrophysics Data System (ADS)

Zhuo, Hong-Ying; Jiang, Li-Xia; Li, Qing-Zhong; Li, Wen-Zuo; Cheng, Jian-Bo

2014-07-01

A weak interaction was found between the two methyl groups in the complexes of XCH3-CH3BH2 (X = F, CN, NO2, HCO, and SOCH3), where the former methyl group acts as a Lewis acid and the latter one as a Lewis base. This directional interaction has small interaction energy, accompanied with some small changes in geometry and spectroscopy. Stronger Lewis acids FYH3 (Y = Si, Ge, and Sn) as well as Lewis bases CH3BeH and CH3MgH were compared. Dispersion energy is the major source of attraction and electrostatic contribution grows up to exceed dispersion energy for stronger interactions.

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.

Role of neurosteroids in the anticonvulsant activity of midazolam.

PubMed

Dhir, Ashish; Rogawski, Michael A

2012-04-01

Midazolam is a short-acting benzodiazepine that is widely used as an i.v. sedative and anticonvulsant. Besides interacting with the benzodiazepine site associated with GABA(A) receptors, some benzodiazepines act as agonists of translocator protein (18 kDa) (TSPO) to enhance the synthesis of steroids, including neurosteroids with positive modulatory actions on GABA(A) receptors. We sought to determine if neurosteroidogenesis induced by midazolam contributes to its anticonvulsant action. Mice were pretreated with neurosteroid synthesis inhibitors and potentiators followed by midazolam or clonazepam, a weak TSPO ligand. Anticonvulsant activity was assessed with the i.v. pentylenetetrazol (PTZ) threshold test. Midazolam (500-5000 µg·kg(-1) , i.p.) caused a dose-dependent increase in seizure threshold. Pretreatment with the neurosteroid synthesis inhibitors finasteride, a 5α-reductase inhibitor, and a functional TSPO antagonist PK 11195, reduced the anticonvulsant action of midazolam. The anticonvulsant action of midazolam was enhanced by the neurosteroidogenic drug metyrapone, an 11β-hydroxylase inhibitor. In contrast, the anticonvulsant action of clonazepam (100 µg·kg(-1) ) was reduced by finasteride but not by PK 11195, indicating a possible contribution of neurosteroids unrelated to TSPO. Enhanced endogenous neurosteroid synthesis, possibly mediated by an interaction with TSPO, contributed to the anticonvulsant action of midazolam. Enhanced neurosteroidogenesis may also be a factor in the actions of other benzodiazepines, even those that only weakly interact with TSPO. © 2011 The Authors. British Journal of Pharmacology © 2011 The British Pharmacological Society.

Role of neurosteroids in the anticonvulsant activity of midazolam

PubMed Central

Dhir, Ashish; Rogawski, Michael A

2012-01-01

BACKGROUND AND PURPOSE Midazolam is a short-acting benzodiazepine that is widely used as an i.v. sedative and anticonvulsant. Besides interacting with the benzodiazepine site associated with GABAA receptors, some benzodiazepines act as agonists of translocator protein (18 kDa) (TSPO) to enhance the synthesis of steroids, including neurosteroids with positive modulatory actions on GABAA receptors. We sought to determine if neurosteroidogenesis induced by midazolam contributes to its anticonvulsant action. EXPERIMENTAL APPROACH Mice were pretreated with neurosteroid synthesis inhibitors and potentiators followed by midazolam or clonazepam, a weak TSPO ligand. Anticonvulsant activity was assessed with the i.v. pentylenetetrazol (PTZ) threshold test. KEY RESULTS Midazolam (500–5000 µg·kg−1, i.p.) caused a dose-dependent increase in seizure threshold. Pretreatment with the neurosteroid synthesis inhibitors finasteride, a 5α-reductase inhibitor, and a functional TSPO antagonist PK 11195, reduced the anticonvulsant action of midazolam. The anticonvulsant action of midazolam was enhanced by the neurosteroidogenic drug metyrapone, an 11β-hydroxylase inhibitor. In contrast, the anticonvulsant action of clonazepam (100 µg·kg−1) was reduced by finasteride but not by PK 11195, indicating a possible contribution of neurosteroids unrelated to TSPO. CONCLUSION AND IMPLICATIONS Enhanced endogenous neurosteroid synthesis, possibly mediated by an interaction with TSPO, contributed to the anticonvulsant action of midazolam. Enhanced neurosteroidogenesis may also be a factor in the actions of other benzodiazepines, even those that only weakly interact with TSPO. PMID:22014182

Heath Sector Network Governance and State-building in South Kivu, Democratic Republic of Congo.

PubMed

Bwimana, Aembe

2017-12-01

Longstanding patterns of interaction exist between state and non-state actors seeking to improve public health in Democratic Republic of Congo (DRC). DRC is a weak state, and, in many cases, private actors have stepped in to fill the void created by the lack of state health care provision. However, the role of these interactions in creating a governance network in the health sector has been underexplored. Using data from 18 months of qualitative field research, this study aimed to explore governance networks in DRC's health sector, examining how multiple stakeholders work to manage the health system and how the resulting governance network has been relevant for the state-building process. The findings demonstrate that the health sector in South Kivu is emerging as an arena of networked governance based on active partnerships between state institutions and non-state actors. Interactions between state and non-state actors account for the persistence of the health sector in a setting characterized by state weakness. However, networked governance does not function optimally, because, although non-state interventions fill the void where the state falls short, the DRC state has faced the challenge of interacting with partners with fragmented and horizontally competing agendas. Although weak, the shadow of state authority is present in the arena of stakeholders' interactions, as the state plays a determining role by providing a regulatory framework. Overall, the findings show that the interactive engagement of non-state actors contributes to improving institutional capacity through these actors' engagement with state institutions for health system management and institutional development. However, although networked health sector governance does contribute to state capacity, it is difficult to assess the real influence of these interactions on the state-building process in a context of critical fragility, where coordination and alignment have been problematic. © The Author 2017. Published by Oxford University Press in association with The London School of Hygiene and Tropical Medicine. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

Exploring the Interaction Natures in Plutonyl (VI) Complexes with Topological Analyses of Electron Density

PubMed Central

Du, Jiguang; Sun, Xiyuan; Jiang, Gang

2016-01-01

The interaction natures between Pu and different ligands in several plutonyl (VI) complexes are investigated by performing topological analyses of electron density. The geometrical structures in both gaseous and aqueous phases are obtained with B3LYP functional, and are generally in agreement with available theoretical and experimental results when combined with all-electron segmented all-electron relativistic contracted (SARC) basis set. The Pu–Oyl bond orders show significant linear dependence on bond length and the charge of oxygen atoms in plutonyl moiety. The closed-shell interactions were identified for Pu-Ligand bonds in most complexes with quantum theory of atoms in molecules (QTAIM) analyses. Meanwhile, we found that some Pu–Ligand bonds, like Pu–OH−, show weak covalent. The interactive nature of Pu–ligand bonds were revealed based on the interaction quantum atom (IQA) energy decomposition approach, and our results indicate that all Pu–Ligand interactions is dominated by the electrostatic attraction interaction as expected. Meanwhile it is also important to note that the quantum mechanical exchange-correlation contributions can not be ignored. By means of the non-covalent interaction (NCI) approach it has been found that some weak and repulsion interactions existed in plutonyl(VI) complexes, which can not be distinguished by QTAIM, can be successfully identified. PMID:27077844

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

Spectral wings of the fiber supercontinuum and the dark-bright soliton interaction.

PubMed

Milián, C; Marest, T; Kudlinski, A; Skryabin, D V

2017-05-01

We present experimental and numerical data on the supercontinuum generation in an optical fiber pumped in the normal dispersion range where the seeded dark and the spontaneously generated bright solitons contribute to the spectral broadening. We report the dispersive radiation arising from the interaction of the bright and dark solitons. This radiation consists of the two weak dispersing pulses that continuously shift their frequencies and shape the short and long wavelength wings of the supercontinuum spectrum.

Chen Ning Yang, Weak Interactions, and Parity Violation

Science.gov Websites

absolute law of parity conservation had been violated." 2 "Yang overturned Paul ... Dirac's explained that symmetry laws generate the law of conservation. The law of right-left symmetry contributed to the formulation of the law of conservation of parity in 1924. Eventually, this law of conservation was

Spontaneous CP-violation in extended technicolor models

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

Goldstein, W.H.

1983-01-01

The spontaneous CP-violation in models with dynamically broken weak interaction symmetries, i.e., extended technicolor models is examined. Attention is focussed on situations in which the global, flavor symmetry of the strong, color-technicolor, interactions is a product of chiral, horizontal U(2), or, when weak degrees of freedom are included, U(4) factors. In this context, we demonstrate the Eichten, Lane, Preskill CP-violation mechanism and show that the nemesis of this mechanism, strong CP-violation, can be easily avoided by imposing a discrete symmetry on the chiral perturbation. When strong CP-invariance is preserved by this means, we find that spontaneously generated CP-violating phases aremore » suppressed by a ratio of extended technicolor mass scales. In addition, we consider, and attempt to analyze the direct contribution to strong CP-violation from colored technifermions.« less

Electrokinetic detection for X-ray spectra of weakly interacting liquids: n-decane and n-nonane.

PubMed

Lam, Royce K; Shih, Orion; Smith, Jacob W; Sheardy, Alex T; Rizzuto, Anthony M; Prendergast, David; Saykally, Richard J

2014-06-21

The introduction of liquid microjets into soft X-ray absorption spectroscopy enabled the windowless study of liquids by this powerful atom-selective high vacuum methodology. However, weakly interacting liquids produce large vapor backgrounds that strongly perturb the liquid signal. Consequently, solvents (e.g., hydrocarbons, ethers, ketones, etc.) and solutions of central importance in chemistry and biology have been inaccessible by this technology. Here we describe a new detection method, upstream detection, which greatly reduces the vapor phase contribution to the X-ray absorption signal while retaining important advantages of liquid microjet sample introduction (e.g., minimal radiation damage). The effectiveness of the upstream detection method is demonstrated in this first study of room temperature liquid hydrocarbons: n-nonane and n-decane. Good agreement with first principles' calculations indicates that the eXcited electron and Core Hole theory adequately describes the subtle interactions in these liquids that perturb the electronic structure of the unoccupied states probed in core-level experiments.

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

PubMed

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

2017-10-20

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

A quantitative analysis of weak intermolecular interactions & quantum chemical calculations (DFT) of novel chalcone derivatives

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

Chavda, Bhavin R., E-mail: chavdabhavin9@gmail.com; Dubey, Rahul P.; Patel, Urmila H.

The novel chalcone derivatives have widespread applications in material science and medicinal industries. The density functional theory (DFT) is used to optimized the molecular structure of the three chalcone derivatives (M-I, II, III). The observed discrepancies between the theoretical and experimental (X-ray data) results attributed to different environments of the molecules, the experimental values are of the molecule in solid state there by subjected to the intermolecular forces, like non-bonded hydrogen bond interactions, where as isolated state in gas phase for theoretical studies. The lattice energy of all the molecules have been calculated using PIXELC module in Coulomb –London –Paulimore » (CLP) package and is partitioned into corresponding coulombic, polarization, dispersion and repulsion contributions. Lattice energy data confirm and strengthen the finding of the X-ray results that the weak but significant intermolecular interactions like C-H…O, Π- Π and C-H… Π plays an important role in the stabilization of crystal packing.« less

Electronic charge rearrangement at metal/organic interfaces induced by weak van der Waals interactions

NASA Astrophysics Data System (ADS)

Ferri, Nicola; Ambrosetti, Alberto; Tkatchenko, Alexandre

2017-07-01

Electronic charge rearrangements at interfaces between organic molecules and solid surfaces play a key role in a wide range of applications in catalysis, light-emitting diodes, single-molecule junctions, molecular sensors and switches, and photovoltaics. It is common to utilize electrostatics and Pauli pushback to control the interface electronic properties, while the ubiquitous van der Waals (vdW) interactions are often considered to have a negligible direct contribution (beyond the obvious structural relaxation). Here, we apply a fully self-consistent Tkatchenko-Scheffler vdW density functional to demonstrate that the weak vdW interactions can induce sizable charge rearrangements at hybrid metal/organic systems (HMOS). The complex vdW correlation potential smears out the interfacial electronic density, thereby reducing the charge transfer in HMOS, changes the interface work functions by up to 0.2 eV, and increases the interface dipole moment by up to 0.3 Debye. Our results suggest that vdW interactions should be considered as an additional control parameter in the design of hybrid interfaces with the desired electronic properties.

The interplay of contextual elements in implementation: an ethnographic case study.

PubMed

McCullough, Megan B; Chou, Ann F; Solomon, Jeffrey L; Petrakis, Beth Ann; Kim, Bo; Park, Angela M; Benedict, Ashley J; Hamilton, Alison B; Rose, Adam J

2015-02-14

Contextual elements have significant impact on uptake of health care innovations. While existing conceptual frameworks in implementation science suggest contextual elements interact with each other, little research has described how this might look in practice. To bridge this gap, this study identifies the interconnected patterns among contextual elements that influence uptake of an anticoagulation clinic improvement initiative. We completed 51 semi-structured interviews and ethnographic observations across five case study sites involved in an evidence-based practice (EBP) quality improvement initiative. We analyzed data in NVivo 10 using an a priori approach based on the Promoting Action on Research Implementation in Health Services (PARIHS) model and an emergent thematic analysis. Key contextual elements, such as leadership, teamwork, and communication, interacted with each other in contributing to site-level uptake of the EBP, often yielding results that could not be predicted by looking at just one of these elements alone. Sites with context conducive to change in these areas predictably had high uptake, while sites with uniformly weak contextual elements had low uptake. Most sites presented a mixed picture, with contextual elements being strongly supportive of change in some areas and weak or moderate in others. In some cases, we found that sites with strong context in at least one area only needed to have adequate context in other areas to yield high uptake. At other sites, weak context in just one area had the potential to contribute to low uptake, despite countervailing strengths. Even a site with positive views of EBPs could not succeed when context was weak. Interrelationships among different contextual elements can act as barriers to uptake at some sites and as facilitators at others. Accounting for interconnections among elements enables PARIHS to more fully describe the determinants of successful implementation as they operate in real-world settings.

Correlation measurements in nuclear {beta}-decay using traps and polarized low energy beams

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

Naviliat-Cuncic, Oscar

2013-05-06

Precision measurements in nuclear {beta}-decay provide sensitive means to test discrete symmetries in the weak interaction and to determine some of the fundamental constants in semi-leptonic decays, like the coupling of the lightest quarks to charged weak bosons. The main motivation of such measurements is to find deviations from Standard Model predictions as possible indications of new physics. In this contribution I will focus on two topics related to precision measurements in nuclear {beta}-decay: i) the determination of the V{sub ud} element of the Cabibbo-Kobayashi-Maskawa quark mixing matrix from nuclear mirror transitions and ii) the search for exotic scalar ormore » tensor contributions from {beta}{nu} angular correlations. The purpose is to underline the role being played by experimental techniques based on the confinement of radioactive species with atom and ion traps as well as the plans to use low energy polarized beams.« less

Bell's theorem, the measurement problem, Newton's self-gravitation and its connections to violations of the discrete symmetries C, P, T

NASA Astrophysics Data System (ADS)

Hiesmayr, Beatrix C.

2015-07-01

About 50 years ago John St. Bell published his famous Bell theorem that initiated a new field in physics. This contribution discusses how discrete symmetries relate to the big open questions of quantum mechanics, in particular: (i) how correlations stronger than those predicted by theories sharing randomness (Bell's theorem) relate to the violation of the CP symmetry and the P symmetry; and its relation to the security of quantum cryptography, (ii) how the measurement problem (“why do we observe no tables in superposition?”) can be polled in weakly decaying systems, (iii) how strongly and weakly interacting quantum systems are affected by Newton's self gravitation. These presented preliminary results show that the meson-antimeson systems and the hyperon- antihyperon systems are a unique laboratory to tackle deep fundamental questions and to contribute to the understand what impact the violation of discrete symmetries has.

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.

Modulating weak interactions for molecular recognition: a dynamic combinatorial analysis for assessing the contribution of electrostatics to the stability of CH-π bonds in water.

PubMed

Jiménez-Moreno, Ester; Gómez, Ana M; Bastida, Agatha; Corzana, Francisco; Jiménez-Oses, Gonzalo; Jiménez-Barbero, Jesús; Asensio, Juan Luis

2015-03-27

Electrostatic and charge-transfer contributions to CH-π complexes can be modulated by attaching electron-withdrawing substituents to the carbon atom. While clearly stabilizing in the gas phase, the outcome of this chemical modification in water is more difficult to predict. Herein we provide a definitive and quantitative answer to this question employing a simple strategy based on dynamic combinatorial chemistry. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Ground-State Wave Function with Interactions between Different Species in M-Component Miscible Bose-Einstein Condensates

NASA Astrophysics Data System (ADS)

Kohno, Wataru; Kirikoshi, Akimitsu; Kita, Takafumi

2018-03-01

We construct a variational ground-state wave function of weakly interacting M-component Bose-Einstein condensates beyond the mean-field theory by incorporating the dynamical 3/2-body processes, where one of the two colliding particles drops into the condensate and vice versa. Our numerical results with various masses and particle numbers show that the 3/2-body processes between different particles make finite contributions to lowering the ground-state energy, implying that many-body correlation effects between different particles are essential even in the weak-coupling regime of the Bose-Einstein condensates. We also consider the stability condition for 2-component miscible states using the new ground-state wave function. Through this calculation, we obtain the relation UAB2/UAAUBB < 1 + α , where Uij is the effective contact potential between particles i and j and α is the correction, which originates from the 3/2- and 2-body processes.

Effective Mass Calculations for Two-dimensional Gas of Dipolar Fermions

NASA Astrophysics Data System (ADS)

Seydi, I.; Abedinpour, S. H.; Tanatar, B.

2017-06-01

We consider a two-dimensional system of ultracold dipolar fermions with dipole moments aligned in the perpendicular direction. We use the static structure factor information from Fermi-Hypernetted-Chain calculations to obtain the effective many-body dipole-dipole interaction and calculate the many-body effective mass of the system within the G0W approximation to the self-energy. A large cancellation between different contributions to the self-energy results in a weak dependence of the effective mass on the interaction strength over a large range of coupling constants.

Roles of nuclear weak rates on the evolution of degenerate cores in stars

NASA Astrophysics Data System (ADS)

Suzuki, Toshio; Tsunodaa, Naofumi; Tsunoda, Yuhsuke; Shimizu, Noritaka; Otsuka, Takaharu

2018-01-01

Electron-capture and β-decay rates in stellar environments are evaluated with the use of new shell-model Hamiltonians for sd-shell and pf-shell nuclei as well as for nuclei belonging to the island of inversion. Important role of the nuclear weak rates on the final evolution of stellar degenerate cores is presented. The weak interaction rates for sd-shell nuclei are calculated to study nuclear Urca processes in O-Ne-Mg cores of stars with 8-10 M⊙ (solar mass) and their effects on the final fate of the stars. Nucleosynthesis of iron-group elements in Type Ia supernova explosions are studied with the weak rates for pf-shell nuclei. The problem of the neutron-rich iron-group isotope over-production compared to the solar abundances is shown to be nearly solved with the use of the new rates and explosion model of slow defraglation with delayed detonation. Evaluation of the weak rates is extended to the island of inversion and the region of neutron-rich nuclei near 78Ni, where two major shells contribute to their configurations.

Weak interactions, omnivory and emergent food-web properties.

PubMed

Emmerson, Mark; Yearsley, Jon M

2004-02-22

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

Dopamine and the Creative Mind: Individual Differences in Creativity Are Predicted by Interactions between Dopamine Genes DAT and COMT.

PubMed

Zabelina, Darya L; Colzato, Lorenza; Beeman, Mark; Hommel, Bernhard

2016-01-01

The dopaminergic (DA) system may be involved in creativity, however results of past studies are mixed. We attempted to clarify this putative relation by considering the mediofrontal and the nigrostriatal DA pathways, uniquely and in combination, and their contribution to two different measures of creativity--an abbreviated version of the Torrance Test of Creative Thinking, assessing divergent thinking, and a real-world creative achievement index. We found that creativity can be predicted from interactions between genetic polymorphisms related to frontal (COMT) and striatal (DAT) DA pathways. Importantly, the Torrance test and the real-world creative achievement index related to different genetic patterns, suggesting that these two measures tap into different aspects of creativity, and depend on distinct, but interacting, DA sub-systems. Specifically, we report that successful performance on the Torrance test is linked with dopaminergic polymorphisms associated with good cognitive flexibility and medium top-down control, or with weak cognitive flexibility and strong top-down control. The latter is particularly true for the originality factor of divergent thinking. High real-world creative achievement, on the other hand, as assessed by the Creative Achievement Questionnaire, is linked with dopaminergic polymorphisms associated with weak cognitive flexibility and weak top-down control. Taken altogether, our findings support the idea that human creativity relies on dopamine, and on the interaction between frontal and striatal dopaminergic pathways in particular. This interaction may help clarify some apparent inconsistencies in the prior literature, especially if the genes and/or creativity measures were analyzed separately.

Dopamine and the Creative Mind: Individual Differences in Creativity Are Predicted by Interactions between Dopamine Genes DAT and COMT

PubMed Central

Zabelina, Darya L.; Colzato, Lorenza; Beeman, Mark; Hommel, Bernhard

2016-01-01

The dopaminergic (DA) system may be involved in creativity, however results of past studies are mixed. We attempted to clarify this putative relation by considering the mediofrontal and the nigrostriatal DA pathways, uniquely and in combination, and their contribution to two different measures of creativity–an abbreviated version of the Torrance Test of Creative Thinking, assessing divergent thinking, and a real-world creative achievement index. We found that creativity can be predicted from interactions between genetic polymorphisms related to frontal (COMT) and striatal (DAT) DA pathways. Importantly, the Torrance test and the real-world creative achievement index related to different genetic patterns, suggesting that these two measures tap into different aspects of creativity, and depend on distinct, but interacting, DA sub-systems. Specifically, we report that successful performance on the Torrance test is linked with dopaminergic polymorphisms associated with good cognitive flexibility and medium top-down control, or with weak cognitive flexibility and strong top-down control. The latter is particularly true for the originality factor of divergent thinking. High real-world creative achievement, on the other hand, as assessed by the Creative Achievement Questionnaire, is linked with dopaminergic polymorphisms associated with weak cognitive flexibility and weak top-down control. Taken altogether, our findings support the idea that human creativity relies on dopamine, and on the interaction between frontal and striatal dopaminergic pathways in particular. This interaction may help clarify some apparent inconsistencies in the prior literature, especially if the genes and/or creativity measures were analyzed separately. PMID:26783754

Solvophobic and solvophilic contributions in the water-to-aqueous guanidinium chloride transfer free energy of model peptides

NASA Astrophysics Data System (ADS)

Tomar, Dheeraj S.; Ramesh, Niral; Asthagiri, D.

2018-06-01

We study the solvation free energy of two different conformations (helix and extended) of two different peptides (deca-alanine and deca-glycine) in two different solvents (water and aqueous guanidinium chloride, GdmCl). The free energies are obtained using the quasichemical organization of the potential distribution theorem, an approach that naturally provides the repulsive (solvophobic or cavity) and attractive (solvophilic) contributions to solvation. The solvophilic contribution is further parsed into a chemistry contribution arising from solute interaction with the solvent in the first solvation shell and a long-range contribution arising from non-specific interactions between the solute and the solvent beyond the first solvation shell. The cavity contribution is obtained for two different envelopes, ΣS E, which theory helps identify as the solvent excluded volume, and ΣG, a larger envelope beyond which solute-solvent interactions are Gaussian. The ΣS E envelope is independent of the solvent, as expected on the basis of the insensitivity to the solvent type of the distance of closest approach between protein heavy atoms and solvent heavy atoms, but contrary to the intuition based on treating solvent constituents as spheres of some effective radii. For both envelopes, the cavity contribution in water is proportional to the surface area of the envelope. The same does not hold for GdmCl(aq), revealing the limitation of using molecular area to assess solvation energetics. The ΣG-cavity contribution predicts that GdmCl(aq) should favor the more compact state, contrary to the role of GdmCl in unfolding proteins. The chemistry contribution attenuates this effect, but still the net local (chemistry plus ΣG-packing) contribution is inadequate in capturing the role of GdmCl. With the inclusion of the long-range contribution, which is dominated by van der Waals interaction, aqueous GdmCl favors the extended conformation over the compact conformation. Our finding emphasizes the importance of weak, but attractive, long-range dispersion interactions in protein solution thermodynamics.

Solvophobic and solvophilic contributions in the water-to-aqueous guanidinium chloride transfer free energy of model peptides.

PubMed

Tomar, Dheeraj S; Ramesh, Niral; Asthagiri, D

2018-06-14

We study the solvation free energy of two different conformations (helix and extended) of two different peptides (deca-alanine and deca-glycine) in two different solvents (water and aqueous guanidinium chloride, GdmCl). The free energies are obtained using the quasichemical organization of the potential distribution theorem, an approach that naturally provides the repulsive (solvophobic or cavity) and attractive (solvophilic) contributions to solvation. The solvophilic contribution is further parsed into a chemistry contribution arising from solute interaction with the solvent in the first solvation shell and a long-range contribution arising from non-specific interactions between the solute and the solvent beyond the first solvation shell. The cavity contribution is obtained for two different envelopes, Σ SE , which theory helps identify as the solvent excluded volume, and Σ G , a larger envelope beyond which solute-solvent interactions are Gaussian. The Σ SE envelope is independent of the solvent, as expected on the basis of the insensitivity to the solvent type of the distance of closest approach between protein heavy atoms and solvent heavy atoms, but contrary to the intuition based on treating solvent constituents as spheres of some effective radii. For both envelopes, the cavity contribution in water is proportional to the surface area of the envelope. The same does not hold for GdmCl(aq), revealing the limitation of using molecular area to assess solvation energetics. The Σ G -cavity contribution predicts that GdmCl(aq) should favor the more compact state, contrary to the role of GdmCl in unfolding proteins. The chemistry contribution attenuates this effect, but still the net local (chemistry plus Σ G -packing) contribution is inadequate in capturing the role of GdmCl. With the inclusion of the long-range contribution, which is dominated by van der Waals interaction, aqueous GdmCl favors the extended conformation over the compact conformation. Our finding emphasizes the importance of weak, but attractive, long-range dispersion interactions in protein solution thermodynamics.

Primary role of the electrostatic contributions in a rational growth of hysteresis loop in spin-crossover Fe(II) complexes.

PubMed

Kepenekian, Mikaël; Le Guennic, Boris; Robert, Vincent

2009-08-19

We report a comprehensive analysis of the hysteresis behavior in a series of well-characterized spin-crossover Fe(II) materials. On the basis of the available X-ray data and multireference CASSCF (complete active space self-consistent field) calculations, we show that the growth of the hysteresis loop is controlled by electrostatic contributions. These environment effects turn out to be deeply modified as the crystal structure changes along the spin transition. Our theoretical inspection demonstrates the synergy between weak bonds and electrostatic interactions in the growth of hysteresis behavior. Quantitatively, it is suggested that the electrostatic contributions significantly enhance the cooperativity factor while weak bonds are determinant in the structuration of the 3D networks. Our picture does not rely on any parametrization but uses the microscopic information to derive an expression for the cooperativity parameter. The calculated values are in very good agreement with the experimental observations. Such inspection can thus be carried out to anticipate the hysteresis behavior of this intriguing class of materials.

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

PubMed

Silvestrelli, Pier Luigi; Ambrosetti, Alberto

2014-03-28

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

Sialic Acid-Responsive Polymeric Interface Material: From Molecular Recognition to Macroscopic Property Switching

NASA Astrophysics Data System (ADS)

Xiong, Yuting; Jiang, Ge; Li, Minmin; Qing, Guangyan; Li, Xiuling; Liang, Xinmiao; Sun, Taolei

2017-01-01

Biological systems that utilize multiple weak non-covalent interactions and hierarchical assemblies to achieve various bio-functions bring much inspiration for the design of artificial biomaterials. However, it remains a big challenge to correlate underlying biomolecule interactions with macroscopic level of materials, for example, recognizing such weak interaction, further transforming it into regulating material’s macroscopic property and contributing to some new bio-applications. Here we designed a novel smart polymer based on polyacrylamide (PAM) grafted with lactose units (PAM-g-lactose0.11), and reported carbohydrate-carbohydrate interaction (CCI)-promoted macroscopic properties switching on this smart polymer surface. Detailed investigations indicated that the binding of sialic acid molecules with the grafted lactose units via the CCIs induced conformational transformation of the polymer chains, further resulted in remarkable and reversible switching in surface topography, wettability and stiffness. With these excellent recognition and response capacities towards sialic acid, the PAM-g-lactose0.11 further facilitated good selectivity, strong anti-interference and high adsorption capacity in the capture of sialylated glycopeptides (important biomarkers for cancers). This work provides some enlightenment for the development of biointerface materials with tunable property, as well as high-performance glycopeptide enrichment materials.

Full Simulation for the Qweak Experiment at 1.16 and 0.877 GeV and their Impact on Extracting the PV Asymmetry in the N → Δ Transition.

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

Nuhait, Hend

The Qweak project is seeking to find new physics beyond the Standard Model. It is aimed to measure the weak charge of the proton, which has never been measured, at 4% precision at low momentum transfer. The experiment is performed by scattering electrons from protons and exploiting parity violation in the weak interaction at low four-momentum transfer. In this experiment, two measurements were considered: which are elastic and inelastic. The elastic is to measure the proton's weak charge. In addition, the inelastic asymmetry measurement, which will extract the low energy constant d. That measurement works in the neutral current sectormore » of the weak interaction. Qweak measures the asymmetry in the N → Δ; transition. Because the elastic radiative tail gives a dominant contribution to the uncertainty to the N → Δ; asymmetries, this thesis will discuss the radiative correction. In addition, this thesis will describe in details the extensive simulations preformed to determine the impact of all simulated background processes on extracting the PV N → Δ; asymmetries. In the process of verifying the validity of these background fractions, we determined the best value of a quantity measured during the Qweak experiment: the beam normal single spin asymmetry, Bn, in the N → Δ; transition.« less

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

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.

20F beta spectrum shape and weak interaction tests

NASA Astrophysics Data System (ADS)

Voytas, Paul; George, Elizabeth; Chuna, Thomas; Naviliat-Cuncic, Oscar; Hughes, Max; Huyan, Xueying; Minamisono, Kei; Paulauskas, Stanley

2016-09-01

Precision measurements of the shape of beta spectra can test our understanding of the weak interaction. We are carrying out a measurement of the shape of the energy spectrum of β particles from 20F decay. The primary motivation is to test the so-called strong form of the conserved vector current (CVC) hypothesis. The measurement should also enable us to place competitive limits on the contributions of exotic tensor couplings in beta decay. We aim to achieve a relative precision better than 3% on the linear contribution to the shape. This represents an order of magnitude improvement compared to previous experiments in 20F. In order to control systematic effects, we are using a technique that takes advantage of high energy radioactive beams at the NSCL to implant the decaying nuclei in scintillation detectors deeply enough that the emitted beta particles cannot escape. The β-particle energy is measured with the implantation detector after switching off the implantation beam. Ancillary detectors are used to identify the 1.633-MeV γ-rays following the 20F β decay for coincidence measurements in order to tag the transition of interest and to reduce backgrounds. We report on the status of the analysis. Supported in part with Awards from the NSCL PAC and the National Science Foundation under Grant No. PHY-1506084.

Separate and interactive contributions of weak inhibitory control and threat sensitivity to prediction of suicide risk.

PubMed

Venables, Noah C; Sellbom, Martin; Sourander, Andre; Kendler, Kenneth S; Joiner, Thomas E; Drislane, Laura E; Sillanmäki, Lauri; Elonheimo, Henrik; Parkkola, Kai; Multimaki, Petteri; Patrick, Christopher J

2015-04-30

Biobehavioral dispositions can serve as valuable referents for biologically oriented research on core processes with relevance to many psychiatric conditions. The present study examined two such dispositional variables-weak response inhibition (or disinhibition; INH-) and threat sensitivity (or fearfulness; THT+)-as predictors of the serious transdiagnostic problem of suicide risk in two samples: male and female outpatients from a U.S. clinic (N=1078), and a population-based male military cohort from Finland (N=3855). INH- and THT+ were operationalized through scores on scale measures of disinhibition and fear/fearlessness, known to be related to DSM-defined clinical conditions and brain biomarkers. Suicide risk was assessed by clinician ratings (clinic sample) and questionnaires (both samples). Across samples and alternative suicide indices, INH- and THT+ each contributed uniquely to prediction of suicide risk-beyond internalizing and externalizing problems in the case of the clinic sample where diagnostic data were available. Further, in both samples, INH- and THT+ interactively predicted suicide risk, with individuals scoring concurrently high on both dispositions exhibiting markedly augmented risk. Findings demonstrate that dispositional constructs of INH- and THT+ are predictive of suicide risk, and hold potential as referents for biological research on suicidal behavior. Copyright © 2015 Elsevier Ireland Ltd. All rights reserved.

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.

Exciton-plasmon coupling interactions: from principle to applications

NASA Astrophysics Data System (ADS)

Cao, En; Lin, Weihua; Sun, Mengtao; Liang, Wenjie; Song, Yuzhi

2018-01-01

The interaction of exciton-plasmon coupling and the conversion of exciton-plasmon-photon have been widely investigated experimentally and theoretically. In this review, we introduce the exciton-plasmon interaction from basic principle to applications. There are two kinds of exciton-plasmon coupling, which demonstrate different optical properties. The strong exciton-plasmon coupling results in two new mixed states of light and matter separated energetically by a Rabi splitting that exhibits a characteristic anticrossing behavior of the exciton-LSP energy tuning. Compared to strong coupling, such as surface-enhanced Raman scattering, surface plasmon (SP)-enhanced absorption, enhanced fluorescence, or fluorescence quenching, there is no perturbation between wave functions; the interaction here is called the weak coupling. SP resonance (SPR) arises from the collective oscillation induced by the electromagnetic field of light and can be used for investigating the interaction between light and matter beyond the diffraction limit. The study on the interaction between SPR and exaction has drawn wide attention since its discovery not only due to its contribution in deepening and broadening the understanding of SPR but also its contribution to its application in light-emitting diodes, solar cells, low threshold laser, biomedical detection, quantum information processing, and so on.

Electrostatic effects in unfolded staphylococcal nuclease

PubMed Central

Fitzkee, Nicholas C.; García-Moreno E, Bertrand

2008-01-01

Structure-based calculations of pK a values and electrostatic free energies of proteins assume that electrostatic effects in the unfolded state are negligible. In light of experimental evidence showing that this assumption is invalid for many proteins, and with increasing awareness that the unfolded state is more structured and compact than previously thought, a detailed examination of electrostatic effects in unfolded proteins is warranted. Here we address this issue with structure-based calculations of electrostatic interactions in unfolded staphylococcal nuclease. The approach involves the generation of ensembles of structures representing the unfolded state, and calculation of Coulomb energies to Boltzmann weight the unfolded state ensembles. Four different structural models of the unfolded state were tested. Experimental proton binding data measured with a variant of nuclease that is unfolded under native conditions were used to establish the validity of the calculations. These calculations suggest that weak Coulomb interactions are an unavoidable property of unfolded proteins. At neutral pH, the interactions are too weak to organize the unfolded state; however, at extreme pH values, where the protein has a significant net charge, the combined action of a large number of weak repulsive interactions can lead to the expansion of the unfolded state. The calculated pK a values of ionizable groups in the unfolded state are similar but not identical to the values in small peptides in water. These studies suggest that the accuracy of structure-based calculations of electrostatic contributions to stability cannot be improved unless electrostatic effects in the unfolded state are calculated explicitly. PMID:18227429

On the mathematical modeling of the Reynolds stress's equations

NASA Technical Reports Server (NTRS)

Lin, Avi

1990-01-01

By considering the Reynolds stress equations as a possible descriptor of complex turbulent fields, pressure-velocity interaction and turbulence dissipation are studied as two of the main physical contributions to Reynolds stress balancing in turbulent flow fields. It is proven that the pressure interaction term contains turbulence generation elements. However, the usual 'return to isotropy' element appears more weakly than in the standard models. In addition, convection-like elements are discovered mathematically, but there is no mathematical evidence that the pressure fluctuations contribute to the turbulent transport mechanism. Calculations of some simple one-dimensional fields indicate that this extra convection, rather than the turbulent transport, is needed mathematically. Similarly, an expression for the turbulence dissipation is developed. The end result is a dynamic equation for the dissipation tensor which is based on the tensorial length scales.

Measurement of the β-asymmetry parameter of Cu67 in search for tensor-type currents in the weak interaction

NASA Astrophysics Data System (ADS)

Soti, G.; Wauters, F.; Breitenfeldt, M.; Finlay, P.; Herzog, P.; Knecht, A.; Köster, U.; Kraev, I. S.; Porobic, T.; Prashanth, P. N.; Towner, I. S.; Tramm, C.; Zákoucký, D.; Severijns, N.

2014-09-01

Background: Precision measurements at low energy search for physics beyond the standard model in a way complementary to searches for new particles at colliders. In the weak sector the most general β-decay Hamiltonian contains, besides vector and axial-vector terms, also scalar, tensor, and pseudoscalar terms. Current limits on the scalar and tensor coupling constants from neutron and nuclear β decay are on the level of several percent. Purpose: Extracting new information on tensor coupling constants by measuring the β-asymmetry parameter in the pure Gamow-Teller decay of Cu67, thereby testing the V-A structure of the weak interaction. Method: An iron sample foil into which the radioactive nuclei were implanted was cooled down to mK temperatures in a 3He-4He dilution refrigerator. An external magnetic field of 0.1 T, in combination with the internal hyperfine magnetic field, oriented the nuclei. The anisotropic β radiation was observed with planar high-purity germanium detectors operating at a temperature of about 10 K. An on-line measurement of the β asymmetry of Cu68 was performed as well for normalization purposes. Systematic effects were investigated using geant4 simulations. Results: The experimental value, Ã=0.587(14), is in agreement with the standard model value of 0.5991(2) and is interpreted in terms of physics beyond the standard model. The limits obtained on possible tensor-type charged currents in the weak interaction Hamiltonian are -0.045<(CT+CT')/CA<0.159 (90% C.L.). Conclusions: The obtained limits are comparable to limits from other correlation measurements in nuclear β decay and contribute to further constraining tensor coupling constants.

Magnetic effect in the test of the weak equivalence principle using a rotating torsion pendulum

NASA Astrophysics Data System (ADS)

Zhu, Lin; Liu, Qi; Zhao, Hui-Hui; Yang, Shan-Qing; Luo, Pengshun; Shao, Cheng-Gang; Luo, Jun

2018-04-01

The high precision test of the weak equivalence principle (WEP) using a rotating torsion pendulum requires thorough analysis of systematic effects. Here we investigate one of the main systematic effects, the coupling of the ambient magnetic field to the pendulum. It is shown that the dominant term, the interaction between the average magnetic field and the magnetic dipole of the pendulum, is decreased by a factor of 1.1 × 104 with multi-layer magnetic shield shells. The shield shells reduce the magnetic field to 1.9 × 10-9 T in the transverse direction so that the dipole-interaction limited WEP test is expected at η ≲ 10-14 for a pendulum dipole less than 10-9 A m2. The high-order effect, the coupling of the magnetic field gradient to the magnetic quadrupole of the pendulum, would also contribute to the systematic errors for a test precision down to η ˜ 10-14.

Magnetic effect in the test of the weak equivalence principle using a rotating torsion pendulum.

PubMed

Zhu, Lin; Liu, Qi; Zhao, Hui-Hui; Yang, Shan-Qing; Luo, Pengshun; Shao, Cheng-Gang; Luo, Jun

2018-04-01

The high precision test of the weak equivalence principle (WEP) using a rotating torsion pendulum requires thorough analysis of systematic effects. Here we investigate one of the main systematic effects, the coupling of the ambient magnetic field to the pendulum. It is shown that the dominant term, the interaction between the average magnetic field and the magnetic dipole of the pendulum, is decreased by a factor of 1.1 × 10 4 with multi-layer magnetic shield shells. The shield shells reduce the magnetic field to 1.9 × 10 -9 T in the transverse direction so that the dipole-interaction limited WEP test is expected at η ≲ 10 -14 for a pendulum dipole less than 10 -9 A m 2 . The high-order effect, the coupling of the magnetic field gradient to the magnetic quadrupole of the pendulum, would also contribute to the systematic errors for a test precision down to η ∼ 10 -14 .

Formation of H̅ in p̅-Ps collisions embedded in plasmas

NASA Astrophysics Data System (ADS)

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

2016-04-01

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

Hollow multilayer microcapsules for pH-/thermally responsive drug delivery using aliphatic poly(urethane-amine) as smart component.

PubMed

Shi, Jun; Du, Chao; Shi, Jin; Wang, Yaming; Cao, Shaokui

2013-04-01

Hollow multilayer microcapsules made of aliphatic poly(urethane-amine) (PUA) and sodium poly(styrene sulfonate) (PSS), templated on PSS-doped CaCO3 particles, are prepared for pH-/thermally responsive drug delivery. The electrostatic interaction and hydrogen bonding under weak-acid conditions between aliphatic PUA and PSS contribute to the formation of multilayer microcapsules. Scanning electron microscopy (SEM) results demonstrate an obvious variation of the hollow multilayer microcapsules in response to changes in temperature and pH value. Drug-release behaviors using DOX as a model drug demonstrate that the drug release increases on decreasing the pH value because of the interaction weakness between aliphatic PUA and PSS in acidic conditions. Moreover, the drug release is higher at 55 °C than that at 37 °C for the sake of the shrinkage of aliphatic PUA above its lower critical solution temperature (LCST). Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Wetting of water on graphene nanopowders of different thicknesses

NASA Astrophysics Data System (ADS)

Bera, Bijoyendra; Shahidzadeh, Noushine; Mishra, Himanshu; Belyaeva, Liubov A.; Schneider, Grégory F.; Bonn, Daniel

2018-04-01

We study the wetting of graphene nanopowders by measuring the water adsorption in nanopowder flakes of different flake thicknesses. Chemical analysis shows that the graphene flakes, especially the thin ones, might exist in the partially oxidized state. We observe that the thinnest graphene nanopowder flakes do not adsorb water at all, independent of the relative humidity. Thicker flakes, on the other hand, do adsorb an increasing amount of water with increasing humidity. This allows us to assess their wetting behavior which is actually the result of the competition between the adhesive interactions of water and graphene and the cohesive interactions of water. Explicit calculation of these contributions from the van der Waals interactions confirms that the adhesive interactions between very thin flakes of graphene oxide and water are extremely weak, which makes the flakes superhydrophobic. "Liquid marble" tests with graphene nanopowder flakes confirm the superhydrophobicity. This shows that the origin of the much debated "wetting transparency" of graphene is due to the fact that a single graphene or graphene oxide layer does not contribute significantly to the adhesion between a wetting phase and the substrate.

Crystal structure of 1-(3-chloro-phen-yl)piperazin-1-ium picrate-picric acid (2/1).

PubMed

Kavitha, Channappa N; Jasinski, Jerry P; Kaur, Manpreet; Anderson, Brian J; Yathirajan, H S

2014-11-01

The title salt {systematic name: bis-[1-(3-chloro-phen-yl)piperazinium 2,4,6-tri-nitro-phenolate]-picric acid (2/1)}, 2C10H14ClN2 (+)·2C6H5N3O7 (-)·C6H6N3O7, crystallized with two independent 1-(3-chloro-phen-yl)piperazinium cations, two picrate anions and a picric acid mol-ecule in the asymmetric unit. The six-membered piperazine ring in each cation adopts a slightly distorted chair conformation and contains a protonated N atom. In the picric acid mol-ecule, the mean planes of the nitro groups in the ortho-, meta-, and para-positions are twisted from the benzene ring by 31.5 (3), 7.7 (1), and 3.8 (2)°, respectively. In the anions, the dihedral angles between the benzene ring and the ortho-, meta-, and para-nitro groups are 36.7 (1), 5.0 (6), 4.8 (2)°, and 34.4 (9), 15.3 (8), 4.5 (1)°, respectively. The nitro group in one anion is disordered and was modeled with two sites for one O atom with an occupancy ratio of 0.627 (7):0.373 (7). In the crystal, the picric acid mol-ecule inter-acts with the picrate anion through a trifurcated O-H⋯O four-centre hydrogen bond involving an intra-molecular O-H⋯O hydrogen bond and a weak C-H⋯O inter-action. Weak inter-molecular C-H⋯O inter-actions are responsible for the formation of cation-anion-cation trimers resulting in a chain along [010]. In addition, weak C-H⋯Cl and weak π-π inter-actions [centroid-centroid distances of 3.532 (3), 3.756 (4) and 3.705 (3) Å] are observed and contribute to the stability of the crystal packing.

Disentangling effects of abiotic factors and biotic interactions on cross-taxon congruence in species turnover patterns of plants, moths and beetles.

PubMed

Duan, Meichun; Liu, Yunhui; Yu, Zhenrong; Baudry, Jacques; Li, Liangtao; Wang, Changliu; Axmacher, Jan C

2016-04-01

High cross-taxon congruence in species diversity patterns is essential for the use of surrogate taxa in biodiversity conservation, but presence and strength of congruence in species turnover patterns, and the relative contributions of abiotic environmental factors and biotic interaction towards this congruence, remain poorly understood. In our study, we used variation partitioning in multiple regressions to quantify cross-taxon congruence in community dissimilarities of vascular plants, geometrid and arciinid moths and carabid beetles, subsequently investigating their respective underpinning by abiotic factors and biotic interactions. Significant cross-taxon congruence observed across all taxon pairs was linked to their similar responses towards elevation change. Changes in the vegetation composition were closely linked to carabid turnover, with vegetation structure and associated microclimatic conditions proposed causes of this link. In contrast, moth assemblages appeared to be dominated by generalist species whose turnover was weakly associated with vegetation changes. Overall, abiotic factors exerted a stronger influence on cross-taxon congruence across our study sites than biotic interactions. The weak congruence in turnover observed particularly between plants and moths highlights the importance of multi-taxon approaches based on groupings of taxa with similar turnovers, rather than the use of single surrogate taxa or environmental proxies, in biodiversity assessments.

Disentangling effects of abiotic factors and biotic interactions on cross-taxon congruence in species turnover patterns of plants, moths and beetles

PubMed Central

Duan, Meichun; Liu, Yunhui; Yu, Zhenrong; Baudry, Jacques; Li, Liangtao; Wang, Changliu; Axmacher, Jan C.

2016-01-01

High cross-taxon congruence in species diversity patterns is essential for the use of surrogate taxa in biodiversity conservation, but presence and strength of congruence in species turnover patterns, and the relative contributions of abiotic environmental factors and biotic interaction towards this congruence, remain poorly understood. In our study, we used variation partitioning in multiple regressions to quantify cross-taxon congruence in community dissimilarities of vascular plants, geometrid and arciinid moths and carabid beetles, subsequently investigating their respective underpinning by abiotic factors and biotic interactions. Significant cross-taxon congruence observed across all taxon pairs was linked to their similar responses towards elevation change. Changes in the vegetation composition were closely linked to carabid turnover, with vegetation structure and associated microclimatic conditions proposed causes of this link. In contrast, moth assemblages appeared to be dominated by generalist species whose turnover was weakly associated with vegetation changes. Overall, abiotic factors exerted a stronger influence on cross-taxon congruence across our study sites than biotic interactions. The weak congruence in turnover observed particularly between plants and moths highlights the importance of multi-taxon approaches based on groupings of taxa with similar turnovers, rather than the use of single surrogate taxa or environmental proxies, in biodiversity assessments. PMID:27032533

A Novel Approach in the Weakly Interacting Massive Particle Quest: Cross-correlation of Gamma-Ray Anisotropies and Cosmic Shear

NASA Astrophysics Data System (ADS)

Camera, Stefano; Fornasa, Mattia; Fornengo, Nicolao; Regis, Marco

2013-07-01

Both cosmic shear and cosmological gamma-ray emission stem from the presence of dark matter (DM) in the universe: DM structures are responsible for the bending of light in the weak-lensing regime and those same objects can emit gamma rays, either because they host astrophysical sources (active galactic nuclei or star-forming galaxies) or directly by DM annihilations (or decays, depending on the properties of the DM particle). Such gamma rays should therefore exhibit strong correlation with the cosmic shear signal. In this Letter, we compute the cross-correlation angular power spectrum of cosmic shear and gamma rays produced by the annihilation/decay of weakly interacting massive particle DM, as well as by astrophysical sources. We show that this observable provides novel information on the composition of the extragalactic gamma-ray background (EGB), since the amplitude and shape of the cross-correlation signal strongly depend on which class of sources is responsible for the gamma-ray emission. If the DM contribution to the EGB is significant (at least in a definite energy range), although compatible with current observational bounds, its strong correlation with the cosmic shear makes such signal potentially detectable by combining Fermi Large Area Telescope data with forthcoming galaxy surveys, like the Dark Energy Survey and Euclid. At the same time, the same signal would demonstrate that the weak-lensing observables are indeed due to particle DM matter and not to possible modifications of general relativity.

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.

Effects of a hyperonic many-body force on BΛ values of hypernuclei

NASA Astrophysics Data System (ADS)

Isaka, M.; Yamamoto, Y.; Rijken, Th. A.

2017-04-01

The stiff equation of state (EoS) giving the neutron-star mass of 2 M⊙ suggests the existence of strongly repulsive many-body effects (MBE) not only in nucleon channels but also in hyperonic ones. As a specific model for MBE, the repulsive multi-Pomeron exchange potential (MPP) is added to the two-body interaction together with the phenomenological three-body attraction. For various versions of the Nijmegen interaction models, the MBE parts are determined so as to reproduce the observed data of BΛ. The mass dependence of BΛ values is shown to be reproduced well by adding MBE to the strong MPP repulsion, assuring the stiff EoS of hyperon-mixed neutron-star matter, in which P -state components of the adopted interaction model lead to almost vanishing contributions. The nuclear matter Λ N G -matrix interactions are derived and used in Λ hypernuclei on the basis of the averaged-density approximation (ADA). The BΛ values of hypernuclei with 9 ≤A ≤59 are analyzed in the framework of antisymmetrized molecular dynamics with use of the two types of Λ N G -matrix interactions including strong and weak MPP repulsions. The calculated values of BΛ reproduce the experimental data well within a few hundred keV. The values of BΛ in p states also can be reproduced well, when the ADA is modified to be suitable also for weakly bound Λ states.

Inclusive neutrino scattering off the deuteron from threshold to GeV energies

NASA Astrophysics Data System (ADS)

Shen, G.; Marcucci, L. E.; Carlson, J.; Gandolfi, S.; Schiavilla, R.

2012-09-01

Background: Neutrino-nucleus quasi-elastic scattering is crucial to interpret the neutrino oscillation results in long baseline neutrino experiments. There are rather large uncertainties in the cross section, due to insufficient knowledge on the role of two-body weak currents.Purpose: Determine the role of two-body weak currents in neutrino-deuteron quasi-elastic scattering up to GeV energies.Methods: Calculate cross sections for inclusive neutrino scattering off deuteron induced by neutral and charge-changing weak currents, from threshold up to GeV energies, using the Argonne v18 potential and consistent nuclear electroweak currents with one- and two-body terms.Results: Two-body contributions are found to be small, and increase the cross sections obtained with one-body currents by less than 10% over the whole range of energies. Total cross sections obtained by describing the final two-nucleon states with plane waves differ negligibly, for neutrino energies ≳ MeV, from those in which interaction effects in these states are fully accounted for. The sensitivity of the calculated cross sections to different models for the two-nucleon potential and/or two-body terms in the weak current is found to be weak. Comparing cross sections to those obtained in a naive model in which the deuteron is taken to consist of a free proton and neutron at rest, nuclear structure effects are illustrated to be non-negligible.Conclusion: Contributions of two-body currents in neutrino-deuteron quasi-elastic scattering up to GeV are found to be smaller than 10%. Finally, it should be stressed that the results reported in this work do not include pion production channels.

Annual modulation experiments, galactic models and WIMPs

NASA Astrophysics Data System (ADS)

Hudson, Robert G.

Our task in the paper is to examine some recent experiments (in the period 1996-2002) bearing on the issue of whether there is dark matter in the universe in the form of neutralino WIMPs (weakly interacting massive particles). Our main focus is an experiment performed by the DAMA group that claims to have found an 'annual modulation signature' for the WIMP. DAMA's result has been hotly contested by two other groups, EDELWEISS and CDMS, and we study the details of the experiments performed by all three groups. Our goal is to investigate the philosophic and sociological implications of this controversy. Particularly, using an innovative theoretical strategy suggested by (Copi, C. and L. M. Krauss (2003). Comparing interaction rate detectors for weakly interacting massive particles with annual modulation detectors. Physical Review D, 67, 103 507), we suggest a new way of resolving discordant experimental data (extending a previous analysis by (Franklin, A. (2002). Selectivity and discord. Pittsburgh: University of Pittsburgh Press). In addition, we are in a position to contribute substantively to the debate between realists and constructive empiricists. Finally, from a sociological standpoint, we remark that DAMA's work has been valuable in mobilizing other research teams and providing them with a critical focus.

Nonlinear conductance in weakly disordered mesoscopic wires: Interaction and magnetic field asymmetry

NASA Astrophysics Data System (ADS)

Texier, Christophe; Mitscherling, Johannes

2018-02-01

We study the nonlinear conductance G ˜∂2I /∂ V2|V =0 in coherent quasi-one-dimensional weakly disordered metallic wires. Our analysis is based on the scattering approach and includes the effect of Coulomb interaction. The nonlinear conductance correlations can be related to integrals of two fundamental correlation functions: the correlator of functional derivatives of the conductance and the correlator of injectivities (the injectivity is the contribution to the local density of states of eigenstates incoming from one contact). These correlators are obtained explicitly by using diagrammatic techniques for weakly disordered metals. In a coherent wire of length L , we obtain rms (G )≃0.006 ETh-1 (and =0 ), where ETh=ℏ D /L2 is the Thouless energy of the wire and D the diffusion constant; the small dimensionless factor results from screening, i.e., cannot be obtained within a simple theory for noninteracting electrons. Electronic interactions are also responsible for an asymmetry under magnetic field reversal; the antisymmetric part of the nonlinear conductance (at high magnetic field) being much smaller than the symmetric one, rms (Ga)≃0.001 (gETh) -1 , where g ≫1 is the dimensionless (linear) conductance of the wire. In a weakly coherent wire (i.e., Lφ≪L , where Lφ is the phase coherence length), the nonlinear conductance is of the same order as the result G0 of a free electron calculation (although screening again strongly reduces the dimensionless prefactor); we get G ˜G0˜(Lφ/L ) 7 /2ETh-1 , while the antisymmetric part (at high magnetic field) now behaves as Ga˜(Lφ/L ) 11 /2(gETh) -1≪G . The effect of thermal fluctuations is studied: when the thermal length LT=√{ℏ D /kBT } is the smallest length scale, LT≪Lφ≪L , the free electron result G0˜(LT/L ) 3(Lφ/L ) 1 /2ETh-1 is negligible and the dominant contribution is provided by screening, G ˜(LT/L ) (Lφ/L ) 7 /2ETh-1 ; in this regime, the antisymmetric part is Ga˜(LT/L ) 2(Lφ/L ) 7 /2(gETh) -1 . All the precise dimensionless prefactors are obtained. Crossovers from zero to strong magnetic field regimes are also analyzed.

Geminal-spanning orbitals make explicitly correlated reduced-scaling coupled-cluster methods robust, yet simple

NASA Astrophysics Data System (ADS)

Pavošević, Fabijan; Neese, Frank; Valeev, Edward F.

2014-08-01

We present a production implementation of reduced-scaling explicitly correlated (F12) coupled-cluster singles and doubles (CCSD) method based on pair-natural orbitals (PNOs). A key feature is the reformulation of the explicitly correlated terms using geminal-spanning orbitals that greatly reduce the truncation errors of the F12 contribution. For the standard S66 benchmark of weak intermolecular interactions, the cc-pVDZ-F12 PNO CCSD F12 interaction energies reproduce the complete basis set CCSD limit with mean absolute error <0.1 kcal/mol, and at a greatly reduced cost compared to the conventional CCSD F12.

Frontal affinity chromatography: A unique research tool for biospecific interaction that promotes glycobiology

PubMed Central

KASAI, Kenichi

2014-01-01

Combination of bioaffinity and chromatography gave birth to affinity chromatography. A further combination with frontal analysis resulted in creation of frontal affinity chromatography (FAC). This new versatile research tool enabled detailed analysis of weak interactions that play essential roles in living systems, especially those between complex saccharides and saccharide-binding proteins. FAC now becomes the best method for the investigation of saccharide-binding proteins (lectins) from viewpoints of sensitivity, accuracy, and efficiency, and is contributing greatly to the development of glycobiology. It opened a door leading to deeper understanding of the significance of saccharide recognition in life. The theory is also concisely described. PMID:25169774

Estimates of the Attenuation Rates of Baroclinic Tidal Energy Caused by Resonant Interactions Among Internal Waves based on the Weak Turbulence Theory

NASA Astrophysics Data System (ADS)

Onuki, Y.; Hibiya, T.

2016-02-01

The baroclinic tides are thought to be the dominant energy source for turbulent mixing in the ocean interior. In contrast to the geography of the energy conversion rates from the barotropic to baroclinic tides, which has been clarified in recent numerical studies, the global distribution of the energy sink for the resulting low-mode baroclinic tides remains obscure. A key to resolve this issue is the resonant wave-wave interactions, which transfer part of the baroclinic tidal energy to the background internal wave field enhancing the local energy dissipation rates. Recent field observations and numerical studies have pointed out that parametric subharmonic instability (PSI), one of the resonant interactions, causes significant energy sink of baroclinic tidal energy at mid-latitudes. The purpose of this study is to analyze the quantitative aspect of PSI to demonstrate the global distribution of the intensity of resonant wave interactions, namely, the attenuation rate of low-mode baroclinic tidal energy. Our approach is basically following the weak turbulence theory, which is the standard theory for resonant wave-wave interactions, where techniques of singular perturbation and statistical physics are employed. This study is, however, different from the classical theory in some points; we have reformulated the weak turbulence theory to be applicable to low-mode internal waves and also developed its numerical calculation method so that the effects of stratification profile and oceanic total depth can be taken into account. We have calculated the attenuation rate of low-mode baroclinic tidal waves interacting with the background Garrett-Munk internal wave field. The calculated results clearly show the rapid attenuation of baroclinic tidal energy at mid-latitudes, in agreement with the results from field observations and also show the zonal inhomogeneity of the attenuation rate caused by the density structures associated with the subtropical gyre. This study is expected to contribute to clarify the global distribution of the dissipation rates of baroclinic tidal energy.

Water's Interfacial Hydrogen Bonding Structure Reveals the Effective Strength of Surface-Water Interactions.

PubMed

Shin, Sucheol; Willard, Adam P

2018-06-05

We combine all-atom molecular dynamics simulations with a mean field model of interfacial hydrogen bonding to analyze the effect of surface-water interactions on the structural and energetic properties of the liquid water interface. We show that the molecular structure of water at a weakly interacting ( i.e., hydrophobic) surface is resistant to change unless the strength of surface-water interactions are above a certain threshold. We find that below this threshold water's interfacial structure is homogeneous and insensitive to the details of the disordered surface, however, above this threshold water's interfacial structure is heterogeneous. Despite this heterogeneity, we demonstrate that the equilibrium distribution of molecular orientations can be used to quantify the energetic component of the surface-water interactions that contribute specifically to modifying the interfacial hydrogen bonding network. We identify this specific energetic component as a new measure of hydrophilicity, which we refer to as the intrinsic hydropathy.

Cross-correlation of weak lensing and gamma rays: implications for the nature of dark matter

NASA Astrophysics Data System (ADS)

Tröster, Tilman; Camera, Stefano; Fornasa, Mattia; Regis, Marco; van Waerbeke, Ludovic; Harnois-Déraps, Joachim; Ando, Shin'ichiro; Bilicki, Maciej; Erben, Thomas; Fornengo, Nicolao; Heymans, Catherine; Hildebrandt, Hendrik; Hoekstra, Henk; Kuijken, Konrad; Viola, Massimo

2017-05-01

We measure the cross-correlation between Fermi gamma-ray photons and over 1000 deg2 of weak lensing data from the Canada-France-Hawaii Telescope Lensing Survey (CFHTLenS), the Red Cluster Sequence Lensing Survey (RCSLenS), and the Kilo Degree Survey (KiDS). We present the first measurement of tomographic weak lensing cross-correlations and the first application of spectral binning to cross-correlations between gamma rays and weak lensing. The measurements are performed using an angular power spectrum estimator while the covariance is estimated using an analytical prescription. We verify the accuracy of our covariance estimate by comparing it to two internal covariance estimators. Based on the non-detection of a cross-correlation signal, we derive constraints on weakly interacting massive particle (WIMP) dark matter. We compute exclusion limits on the dark matter annihilation cross-section <σannv>, decay rate Γdec and particle mass mDM. We find that in the absence of a cross-correlation signal, tomography does not significantly improve the constraining power of the analysis. Assuming a strong contribution to the gamma-ray flux due to small-scale clustering of dark matter and accounting for known astrophysical sources of gamma rays, we exclude the thermal relic cross-section for particle masses of mDM ≲ 20 GeV.

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.

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.

Linear motif-mediated interactions have contributed to the evolution of modularity in complex protein interaction networks.

PubMed

Kim, Inhae; Lee, Heetak; Han, Seong Kyu; Kim, Sanguk

2014-10-01

The modular architecture of protein-protein interaction (PPI) networks is evident in diverse species with a wide range of complexity. However, the molecular components that lead to the evolution of modularity in PPI networks have not been clearly identified. Here, we show that weak domain-linear motif interactions (DLIs) are more likely to connect different biological modules than strong domain-domain interactions (DDIs). This molecular division of labor is essential for the evolution of modularity in the complex PPI networks of diverse eukaryotic species. In particular, DLIs may compensate for the reduction in module boundaries that originate from increased connections between different modules in complex PPI networks. In addition, we show that the identification of biological modules can be greatly improved by including molecular characteristics of protein interactions. Our findings suggest that transient interactions have played a unique role in shaping the architecture and modularity of biological networks over the course of evolution.

Suppressing turbulence of self-propelling rods by strongly coupled passive particles.

PubMed

Su, Yen-Shuo; Wang, Hao-Chen; I, Lin

2015-03-01

The strong turbulence suppression, mainly for large-scale modes, of two-dimensional self-propelling rods, by increasing the long-range coupling strength Γ of low-concentration passive particles, is numerically demonstrated. It is found that large-scale collective rod motion in forms of swirls or jets is mainly contributed from well-aligned dense patches, which can push small poorly aligned rod patches and uncoupled passive particles. The more efficient momentum transfer and dissipation through increasing passive particle coupling leads to the formation of a more ordered and slowed down network of passive particles, which competes with coherent dense active rod clusters. The frustration of active rod alignment ordering and coherent motion by the passive particle network, which interrupt the inverse cascading of forming large-scale swirls, is the key for suppressing collective rod motion with scales beyond the interpassive distance, even in the liquid phase of passive particles. The loosely packed active rods are weakly affected by increasing passive particle coupling due to the weak rod-particle interaction. They mainly contribute to the small-scale modes and high-speed motion.

Nonlocal gradient corrections to the exchange free energy of an inhomogeneous many-fermion system at finite temperature

NASA Astrophysics Data System (ADS)

Geldart, D. J. W.; Dunlap, E.; Glasser, M. L.; Shegelski, Mark R. A.

1993-10-01

A general exact result is derived for the coefficient B x( n; T) which determines the first gradient correction to the leading exchange contribution to the free energy at finite temperature of a weakly inhomogeneous extended many fermion system having arbitrary two-body interactions. Explicit analytical results are given in the case of bare Coulomb interactions, and the case of statically screened Coulomb interactions is studied numerically. It is shown that nonanalytical structure leads to different limiting values of B x( n; T) when the inverse screening length and the temperature are both small. Some implications for physical many-electron systems are discussed, including the reasons for discrepancies between the first principles and semiempirical gradient coefficients for atomic exchange energies.

Particle Radiation Sources, Propagation and Interactions in Deep Space, at Earth, the Moon, Mars, and Beyond: Examples of Radiation Interactions and Effects

NASA Astrophysics Data System (ADS)

Schwadron, Nathan A.; Cooper, John F.; Desai, Mihir; Downs, Cooper; Gorby, Matt; Jordan, Andrew P.; Joyce, Colin J.; Kozarev, Kamen; Linker, Jon A.; Mikíc, Zoran; Riley, Pete; Spence, Harlan E.; Török, Tibor; Townsend, Lawrence W.; Wilson, Jody K.; Zeitlin, Cary

2017-11-01

Particle radiation has significant effects for astronauts, satellites and planetary bodies throughout the Solar System. Acute space radiation hazards pose risks to human and robotic exploration. This radiation also naturally weathers the exposed surface regolith of the Moon, the two moons of Mars, and other airless bodies, and contributes to chemical evolution of planetary atmospheres at Earth, Mars, Venus, Titan, and Pluto. We provide a select review of recent areas of research covering the origin of SEPs from coronal mass ejections low in the corona, propagation of events through the solar system during the anomalously weak solar cycle 24 and important examples of radiation interactions for Earth, other planets and airless bodies such as the Moon.

Superscaling in electron-nucleus scattering and its link to CC and NC QE neutrino-nucleus scattering

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

Barbaro, M. B.; Amaro, J. E.; Caballero, J. A.

2015-05-15

The superscaling approach (SuSA) to neutrino-nucleus scattering, based on the assumed universality of the scaling function for electromagnetic and weak interactions, is reviewed. The predictions of the SuSA model for bot CC and NC differential and total cross sections are presented and compared with the MiniBooNE data. The role of scaling violations, in particular the contribution of meson exchange currents in the two-particle two-hole sector, is explored.

Status of GDL - GNU Data Language

NASA Astrophysics Data System (ADS)

Coulais, A.; Schellens, M.; Gales, J.; Arabas, S.; Boquien, M.; Chanial, P.; Messmer, P.; Fillmore, D.; Poplawski, O.; Maret, S.; Marchal, G.; Galmiche, N.; Mermet, T.

2010-12-01

Gnu Data Language (GDL) is an open-source interpreted language aimed at numerical data analysis and visualisation. It is a free implementation of the Interactive Data Language (IDL) widely used in Astronomy. GDL has a full syntax compatibility with IDL, and includes a large set of library routines targeting advanced matrix manipulation, plotting, time-series and image analysis, mapping, and data input/output including numerous scientific data formats. We will present the current status of the project, the key accomplishments, and the weaknesses - areas where contributions are welcome!

Bacteriophage Tailspikes and Bacterial O-Antigens as a Model System to Study Weak-Affinity Protein-Polysaccharide Interactions.

PubMed

Kang, Yu; Gohlke, Ulrich; Engström, Olof; Hamark, Christoffer; Scheidt, Tom; Kunstmann, Sonja; Heinemann, Udo; Widmalm, Göran; Santer, Mark; Barbirz, Stefanie

2016-07-27

Understanding interactions of bacterial surface polysaccharides with receptor protein scaffolds is important for the development of antibiotic therapies. The corresponding protein recognition domains frequently form low-affinity complexes with polysaccharides that are difficult to address with experimental techniques due to the conformational flexibility of the polysaccharide. In this work, we studied the tailspike protein (TSP) of the bacteriophage Sf6. Sf6TSP binds and hydrolyzes the high-rhamnose, serotype Y O-antigen polysaccharide of the Gram-negative bacterium Shigella flexneri (S. flexneri) as a first step of bacteriophage infection. Spectroscopic analyses and enzymatic cleavage assays confirmed that Sf6TSP binds long stretches of this polysaccharide. Crystal structure analysis and saturation transfer difference (STD) NMR spectroscopy using an enhanced method to interpret the data permitted the detailed description of affinity contributions and flexibility in an Sf6TSP-octasaccharide complex. Dodecasaccharide fragments corresponding to three repeating units of the O-antigen in complex with Sf6TSP were studied computationally by molecular dynamics simulations. They showed that distortion away from the low-energy solution conformation found in the octasaccharide complex is necessary for ligand binding. This is in agreement with a weak-affinity functional polysaccharide-protein contact that facilitates correct placement and thus hydrolysis of the polysaccharide close to the catalytic residues. Our simulations stress that the flexibility of glycan epitopes together with a small number of specific protein contacts provide the driving force for Sf6TSP-polysaccharide complex formation in an overall weak-affinity interaction system.

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

Cornejo, Juan Carlos

The Standard Model has been a theory with the greatest success in describing the fundamental interactions of particles. As of the writing of this dissertation, the Standard Model has not been shown to make a false prediction. However, the limitations of the Standard Model have long been suspected by its lack of a description of gravity, nor dark matter. Its largest challenge to date, has been the observation of neutrino oscillations, and the implication that they may not be massless, as required by the Standard Model. The growing consensus is that the Standard Model is simply a lower energy effectivemore » field theory, and that new physics lies at much higher energies. The Q weak Experiment is testing the Electroweak theory of the Standard Model by making a precise determination of the weak charge of the proton (Q p w). Any signs of "new physics" will appear as a deviation to the Standard Model prediction. The weak charge is determined via a precise measurement of the parity-violating asymmetry of the electron-proton interaction via elastic scattering of a longitudinally polarized electron beam of an un-polarized proton target. The experiment required that the electron beam polarization be measured to an absolute uncertainty of 1%. At this level the electron beam polarization was projected to contribute the single largest experimental uncertainty to the parity-violating asymmetry measurement. This dissertation will detail the use of Compton scattering to determine the electron beam polarization via the detection of the scattered photon. I will conclude the remainder of the dissertation with an independent analysis of the blinded Q weak.« less

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…

Role of spin polarization in FM/Al/FM trilayer film at low temperature

NASA Astrophysics Data System (ADS)

Lu, Ning; Webb, Richard

2014-03-01

Measurements of electronic transport in diffusive FM/normal metal/FM trilayer film are performed at temperature ranging from 2K to 300K to determine the behavior of the spin polarized current in normal metal under the influence of quantum phase coherence and spin-orbital interaction. Ten samples of Hall bar with length of 200 micron and width of 20 micron are fabricated through e-beam lithography followed by e-gun evaporation of Ni0.8Fe0.2, aluminum and Ni0.8Fe0.2 with different thickness (5nm to 45nm) in vacuum. At low temperature of 4.2K, coherent backscattering, Rashba spin-orbital interaction and spin flip scattering of conduction electrons contribute to magnetoresistance at low field. Quantitative analysis of magnetoresistance shows transition between weak localization and weak anti-localization for samples with different thickness ratio, which indicates the spin polarization actually affects the phase coherence length and spin-orbital scattering length. However, at temperature between 50K and 300K, only the spin polarization dominates the magnetoresistance.

The moderating role of personal resources in the relationship between psychosocial job demands and health: a cross-sectional study

PubMed Central

Mayerl, Hannes; Stolz, Erwin; Großschädl, Franziska; Rásky, Éva; Freidl, Wolfgang

2017-01-01

Objective The main objective of this research was to investigate the buffering effects of an individual’s physical, mental and social resources in the relationship between psychosocial job demands and (1) health symptoms, (2) mental strain and (3) the body mass index (BMI), respectively. Methods We performed moderated regression analysis to examine data from a large cross-sectional survey of an Austrian employee sample (n=9434). Results The results revealed a robust association between psychosocial job demands and health symptoms as well as mental strain, but only a weak relationship between psychosocial job demands and BMI. Although the personal resources showed a positive effect on health symptoms and mental strain, only weak evidence was found for the hypothesised interaction with psychosocial job demands. Solely the physical fitness of a person was found to mitigate the impact of psychosocial job demands on health symptoms. Conclusions In conclusion, personal resources substantially accounted for the prediction of health. However, the interactions between psychosocial job demands and personal resources only slightly contributed to explaining the variation in health. PMID:28851776

A weak cation-exchange monolith as stationary phase for the separation of peptide diastereomers by CEC.

PubMed

Ludewig, Ronny; Nietzsche, Sandor; Scriba, Gerhard K E

2011-01-01

A CEC weak cation-exchange monolith has been prepared by in situ polymerization of acrylamide, methylenebisacrylamide and 4-acrylamidobutyric acid in a decanol-dimethylsulfoxide mixture as porogen. The columns were evaluated by SEM and characterized with regard to the separation of diastereomers and α/β-isomers of aspartyl peptides. Column preparation was reproducible as evidenced by comparison of the analyte retention times of several columns prepared simultaneously. Analyte separation was achieved using mobile phases consisting of acidic phosphate buffer and ACN. Under these conditions the peptides migrated due to their electrophoretic mobility but the EOF also contributed as driving force as a function of the pH of the mobile phase due to increasing dissociation of the carboxyl groups of the polymer. Raising the pH of the mobile phase also resulted in deprotonation of the peptides reducing analyte mobility. Due to these mechanisms each pair of diastereomeric peptides displayed the highest resolution at a different pH of the buffer component of the mobile phase. Comparing the weak-cation exchange monolith to an RP monolith and a strong cation-exchange monolith different elution order of some peptide diastereomers was observed, clearly illustrating that interactions with the stationary phase contribute to the CEC separations. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Nanomechanical Contribution of Collagen and von Willebrand Factor A in Marine Underwater Adhesion and Its Implication for Collagen Manipulation.

PubMed

Yoo, Hee Young; Huang, Jun; Li, Lin; Foo, Mathias; Zeng, Hongbo; Hwang, Dong Soo

2016-03-14

Recent works on mussel adhesion have identified a load bearing matrix protein (PTMP1) containing von Willebrand factor (vWF) with collagen binding capability that contributes to the mussel holdfast by manipulating mussel collagens. Using a surface forces apparatus, we investigate for the first time, the nanomechanical properties of vWF-collagen interaction using homologous proteins of mussel byssus, PTMP1 and preCollagens (preCols), as collagen. Mimicking conditions similar to mussel byssus secretion (pH < 5.0) and seawater condition (pH 8.0), PTMP1 and preCol interact weakly in the "positioning" phase based on vWF-collagen binding and strengthen in "locked" phase due to the combined effects of electrostatic attraction, metal binding, and mechanical shearing. The progressive enhancement of binding between PTMP1 with porcine collagen under the aforementioned conditions is also observed. The binding mechanisms of PTMP1-preCols provide insights into the molecular interaction of the mammalian collagen system and the development of an artificial extracellular matrix based on collagens.

The parity-violating asymmetry in the 3He(n,p)3H reaction

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

M. Viviani, R. Schiavilla, L. Girlanda, A. Kievsky, L.E. Marcucci

2010-10-01

The longitudinal asymmetry induced by parity-violating (PV) components in the nucleon-nucleon potential is studied in the charge-exchange reaction 3He(n,p)3H at vanishing incident neutron energies. An expression for the PV observable is derived in terms of T-matrix elements for transitions from the {2S+1}L_J=1S_0 and 3S_1 states in the incoming n-3He channel to states with J=0 and 1 in the outgoing p-3H channel. The T-matrix elements involving PV transitions are obtained in first-order perturbation theory in the hadronic weak-interaction potential, while those connecting states of the same parity are derived from solutions of the strong-interaction Hamiltonian with the hyperspherical-harmonics method. The coupled-channelmore » nature of the scattering problem is fully accounted for. Results are obtained corresponding to realistic or chiral two- and three-nucleon strong-interaction potentials in combination with either the DDH or pionless EFT model for the weak-interaction potential. The asymmetries, predicted with PV pion and vector-meson coupling constants corresponding (essentially) to the DDH "best values" set, range from -9.44 to -2.48 in units of 10^{-8}, depending on the input strong-interaction Hamiltonian. This large model dependence is a consequence of cancellations between long-range (pion) and short-range (vector-meson) contributions, and is of course sensitive to the assumed values for the PV coupling constants.« less

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.

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

Interaction Analysis of Longevity Interventions Using Survival Curves.

PubMed

Nowak, Stefan; Neidhart, Johannes; Szendro, Ivan G; Rzezonka, Jonas; Marathe, Rahul; Krug, Joachim

2018-01-06

A long-standing problem in ageing research is to understand how different factors contributing to longevity should be expected to act in combination under the assumption that they are independent. Standard interaction analysis compares the extension of mean lifespan achieved by a combination of interventions to the prediction under an additive or multiplicative null model, but neither model is fundamentally justified. Moreover, the target of longevity interventions is not mean life span but the entire survival curve. Here we formulate a mathematical approach for predicting the survival curve resulting from a combination of two independent interventions based on the survival curves of the individual treatments, and quantify interaction between interventions as the deviation from this prediction. We test the method on a published data set comprising survival curves for all combinations of four different longevity interventions in Caenorhabditis elegans . We find that interactions are generally weak even when the standard analysis indicates otherwise.

Interaction Analysis of Longevity Interventions Using Survival Curves

PubMed Central

Nowak, Stefan; Neidhart, Johannes; Szendro, Ivan G.; Rzezonka, Jonas; Marathe, Rahul; Krug, Joachim

2018-01-01

A long-standing problem in ageing research is to understand how different factors contributing to longevity should be expected to act in combination under the assumption that they are independent. Standard interaction analysis compares the extension of mean lifespan achieved by a combination of interventions to the prediction under an additive or multiplicative null model, but neither model is fundamentally justified. Moreover, the target of longevity interventions is not mean life span but the entire survival curve. Here we formulate a mathematical approach for predicting the survival curve resulting from a combination of two independent interventions based on the survival curves of the individual treatments, and quantify interaction between interventions as the deviation from this prediction. We test the method on a published data set comprising survival curves for all combinations of four different longevity interventions in Caenorhabditis elegans. We find that interactions are generally weak even when the standard analysis indicates otherwise. PMID:29316622

Giant exchange interaction in mixed lanthanides

PubMed Central

Vieru, Veacheslav; Iwahara, Naoya; Ungur, Liviu; Chibotaru, Liviu F.

2016-01-01

Combining strong magnetic anisotropy with strong exchange interaction is a long standing goal in the design of quantum magnets. The lanthanide complexes, while exhibiting a very strong ionic anisotropy, usually display a weak exchange coupling, amounting to only a few wavenumbers. Recently, an isostructural series of mixed (Ln = Gd, Tb, Dy, Ho, Er) have been reported, in which the exchange splitting is estimated to reach hundreds wavenumbers. The microscopic mechanism governing the unusual exchange interaction in these compounds is revealed here by combining detailed modeling with density-functional theory and ab initio calculations. We find it to be basically kinetic and highly complex, involving non-negligible contributions up to seventh power of total angular momentum of each lanthanide site. The performed analysis also elucidates the origin of magnetization blocking in these compounds. Contrary to general expectations the latter is not always favored by strong exchange interaction. PMID:27087470

On the Interaction between Carbon Dioxide and Nanomaterials with High Accuracy ab initio and DFT Calculations

NASA Astrophysics Data System (ADS)

Vogiatzis, Konstantinos D.; Mavrandonakis, Antreas; Klopper, Wim; Froudakis, George

2009-08-01

The separation, capture and storage of carbon dioxide from the flue gas is an environmental and economical problem of significant importance. Zeolites and activated carbons have been used from the industries in order to reduce the emissions of CO2. A new family of materials, the metal-organic frameworks (MOFs), has been recently proposed as an efficient substitute of the abovementioned materials. In particular, materials based on zinc complexes with imidazo-like aromatic compounds which builds frameworks similar with those of Zeolites (Zeolite-Imidazolium Frameworks, ZIFs), have the potential for efficient separation of CO2 from CO and CH4. [1]. Weak interactions between carbon dioxide and heterocyclic aromatic compounds are being examined with high accuracy ab initio methods. CO2 has zero dipole moment but a significant quadrupole moment enables it to operate as a weak acid or weak base, according to his environment. Nitrogen-containing aromatic compounds act as electron donors, while CO2 acts as an electron acceptor. Electrostatic interactions induce a non-permanent dipole moment on CO2 and the complex is stabilized by in-plane hydrogen bonds between the charged oxygens of CO2 and nearby hydrogen of the aromatic molecule. In addition, dispersion forces from the electron correlation contribute to the interaction energy. By using explicitly correlated methods (MP2-F12/aug-cc-pVTZ) [2] and by adding the contribution from the triples excitations, calculated with a smaller basis (6-311++G**), we reach to an approximate CCSD(T) complete basis set result. [3] Extrapolation schemes were used in order to reach the MP2 basis set limit and compare it with the CCSD(T)/CBS result. Those results are in excellent agreement with the explicitly correlated MP2-F12. In addition, our complexes are being investigated with DFT methods that calculate separately the dispersion energy (DFT-D) [4] and modified MP2 which scaling of spin pair correlation [5]. DFT-D results are in good agreement with CCSD(T)/CBS results, providing us a computational cheap method with high accuracy. The quantization of the interaction is examined by changing the aromaticity of the heterocyclic molecules and by talking into account the electron correlation. [6] The electron density of the nitrogen that binds CO2 is gradually decreasing by substituting carbons with nitrogens in pyridine (pyrimidine, pyrazine, triazine), leading to lower binding energy.

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.

Gestalt Imagery: A Critical Factor in Language Comprehension.

ERIC Educational Resources Information Center

Bell, Nanci

1991-01-01

Lack of gestalt imagery (the ability to create imaged wholes) can contribute to language comprehension disorder characterized by weak reading comprehension, weak oral language comprehension, weak oral language expression, weak written language expression, difficulty following directions, and a weak sense of humor. Sequential stimulation using an…

Individual contributions of climate and vegetation change to soil moisture trends across multiple spatial scales.

PubMed

Feng, Huihui

2016-09-07

Climate and vegetation change are two dominating factors for soil moisture trend. However, their individual contributions remain unknown due to their complex interaction. Here, I separated their contributions through a trajectory-based method across the global, regional and local scales. Our results demonstrated that climate change accounted for 98.78% and 114.64% of the global drying and wetting trend. Vegetation change exhibited a relatively weak influence (contributing 1.22% and -14.64% of the global drying and wetting) because it occurred in a limited area on land. Regionally, the impact of vegetation change cannot be neglected, which contributed -40.21% of the soil moisture change in the wetting zone. Locally, the contributions strongly correlated to the local environmental characteristics. Vegetation negatively affected soil moisture trends in the dry and sparsely vegetated regions and positively in the wet and densely vegetated regions. I conclude that individual contributions of climate and vegetation change vary at the global, regional and local scales. Climate change dominates the soil moisture trends, while vegetation change acts as a regulator to drying or wetting the soil under the changing climate.

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.

Molecular analysis of antigen-independent adhesion forces between T and B lymphocytes.

PubMed Central

Amblard, F; Auffray, C; Sekaly, R; Fischer, A

1994-01-01

The low-affinity interactions underlying antigen recognition by T-cell receptors (TCRs) are thought to involve antigen-independent adhesion mechanisms. Using a hydrodynamic approach, we found that antigen-independent adhesion occurred between human B cells and resting T cells in a transient and temperature-dependent fashion. The mean cell-cell adhesion force was 0.32 x 10(-9) N and was generated by similar contributions (0.16 x 10(-9) N) of the LFA-1- and CD2-dependent adhesion pathways. After T-cell stimulation with a phorbol ester, the force contributed by LFA-1 was drastically increased, while that of CD2 was unaffected. We propose that weak receptor-mediated adhesion initiates antigen-independent intercellular contacts required for antigen recognition by the TCR and is upregulated following TCR engagement. The method used permits adhesion forces between living cells to be resolved at the molecular level and should prove valuable for the rapid assessment of interaction forces between various types of cells and cell-sized particles. Images PMID:7909604

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.

D-term contributions and CEDM constraints in E6 × SU(2)F × U(1)A SUSY GUT model

NASA Astrophysics Data System (ADS)

Shigekami, Yoshihiro

2017-11-01

We focus on E6 × SU(2)F × U(1)A supersymmetric (SUSY) grand unified theory (GUT) model. In this model, realistic Yukawa hierarchies and mixings are realized by introducing all allowed interactions with 𝓞(1) coefficients. Moreover, we can take stop mass is smaller than the other sfermion masses. This type of spectrum called by natural SUSY type sfermion mass spectrum can suppress the SUSY contributions to flavor changing neutral current (FCNC) and stabilize weak scale at the same time. However, light stop predicts large up quark CEDM and stop contributions are not decoupled. Since there is Kobayashi-Maskawa phase, stop contributions to the up quark CEDM is severely constrained even if all SUSY breaking parameters and Higgsino mass parameter μ are real. In this model, real up Yukawa couplings are realized at the GUT scale because of spontaneous CP violation. Therefore CEDM bounds are satisfied, although up Yukawa couplings are complex at the SUSY scale through the renormalization equation group effects. We calculated the CEDMs and found that EDM constraints can be satisfied even if stop mass is 𝓞(1) TeV. In addition, we investigate the size of D-terms in this model. Since these D-term contributions is flavor dependent, the degeneracy of sfermion mass spectrum is destroyed and the size of D-term is strongly constrained by FCNCs when SUSY breaking scale is the weak scale. However, SUSY breaking scale is larger than 1 TeV in order to obtain 125 GeV Higgs mass, and therefore sizable D-term contribution is allowed. Furthermore, we obtained the non-trivial prediction for the difference of squared sfermion mass.

Antigen-antibody interaction. The immunodominant region of EDP208 pili.

PubMed

Worobec, E A; Paranchych, W; Parker, J M; Taneja, A K; Hodges, R S

1985-01-25

The EDP208 pilus contains a major antigenic determinant in the N-terminal dodecapeptide, as shown by E. A. Worobec, A. K. Taneja, R. S. Hodges, and W. Paranchych ((1983) J. Bacteriol. 153, 955-961). This peptide was chemically synthesized, coupled to bovine serum albumin with N-hydroxysuccinimidyl p-azido-benzoate, and used in immunoblot and enzyme-linked immunosorbent assays to show it was capable of reacting with anti-EDP208 pilus antibodies. Antibodies raised against the synthetic peptide conjugate were also capable of reacting with whole pili in these assays. To further examine the specific residues responsible for the antigenicity of this site, several peptide analogs were chemically synthesized. The relative affinity of these peptides for anti-EDP208 pilus antibodies was determined by a competitive enzyme-linked immunosorbent assay using the Fab fragment of anti-EDP208 pilus immunoglobulin G. From these results we established that the antigenic region of this peptide was the N-terminal pentapeptide, N-acetyl-Thr-Asp-Leu-Leu-Ala, and the key residues responsible for the antibody-antigen interaction are the N-acetyl-Thr1, Leu3, and Leu4. Hydrophobic interactions involving the methyl of the acetyl group and the leucine side chains make the largest contributions to the antigen-antibody interaction, while a lesser contribution is made by the Thr1 hydroxyl. The side chains of Asp2 and Ala5 contribute only weakly to the stabilization of the antigen-antibody complex.

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.

Dynamics of a Sonoluminescing Bubble in Sulfuric Acid

NASA Astrophysics Data System (ADS)

Hopkins, Stephen D.; Putterman, Seth J.; Kappus, Brian A.; Suslick, Kenneth S.; Camara, Carlos G.

2005-12-01

The spectral shape and observed sonoluminescence emission from Xe bubbles in concentrated sulfuric acid is consistent only with blackbody emission from a spherical surface that fills the bubble. The interior of the observed 7000 K blackbody must be at least 4 times hotter than the emitting surface in order that the equilibrium light-matter interaction length be smaller than the radius. Bright emission is correlated with long emission times (˜10ns), sharp thresholds, unstable translational motion, and implosions that are sufficiently weak that contributions from the van der Waals hard core are small.

Dynamics of a sonoluminescing bubble in sulfuric acid.

PubMed

Hopkins, Stephen D; Putterman, Seth J; Kappus, Brian A; Suslick, Kenneth S; Camara, Carlos G

2005-12-16

The spectral shape and observed sonoluminescence emission from Xe bubbles in concentrated sulfuric acid is consistent only with blackbody emission from a spherical surface that fills the bubble. The interior of the observed 7000 K blackbody must be at least 4 times hotter than the emitting surface in order that the equilibrium light-matter interaction length be smaller than the radius. Bright emission is correlated with long emission times (approximately 10 ns), sharp thresholds, unstable translational motion, and implosions that are sufficiently weak that contributions from the van der Waals hard core are small.

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.

Understanding the dynamic interactions driving Zambian health centre performance: a case-based health systems analysis

PubMed Central

Topp, Stephanie M; Chipukuma, Julien M; Hanefeld, Johanna

2015-01-01

Background Despite being central to achieving improved population health outcomes, primary health centres in low- and middle-income settings continue to underperform. Little research exists to adequately explain how and why this is the case. This study aimed to test the relevance and usefulness of an adapted conceptual framework for improving our understanding of the mechanisms and causal pathways influencing primary health centre performance. Methods A theory-driven, case-study approach was adopted. Four Zambian health centres were purposefully selected with case data including health-care worker interviews (n = 60); patient interviews (n = 180); direct observation of facility operations (2 weeks/centre) and key informant interviews (n = 14). Data were analysed to understand how the performance of each site was influenced by the dynamic interactions between system ‘hardware’ and ‘software’ acting on mechanisms of accountability. Findings Structural constraints including limited resources created challenging service environments in which work overload and stockouts were common. Health workers’ frustration with such conditions interacted with dissatisfaction with salary levels eroding service values and acting as a catalyst for different forms of absenteeism. Such behaviours exacerbated patient–provider ratios and increased the frequency of clinical and administrative shortcuts. Weak health information systems and lack of performance data undermined providers’ answerability to their employer and clients, and a lack of effective sanctions undermined supervisors’ ability to hold providers accountable for these transgressions. Weak answerability and enforceability contributed to a culture of impunity that masked and condoned weak service performance in all four sites. Conclusions Health centre performance is influenced by mechanisms of accountability, which are in turn shaped by dynamic interactions between system hardware and system software. Our findings confirm the usefulness of combining Sheikh et al.’s (2011) hardware–software model with Brinkerhoff’s (2004) typology of accountability to better understand how and why health centre micro-systems perform (or under-perform) under certain conditions. PMID:24829316

Understanding the dynamic interactions driving Zambian health centre performance: a case-based health systems analysis.

PubMed

Topp, Stephanie M; Chipukuma, Julien M; Hanefeld, Johanna

2015-05-01

Despite being central to achieving improved population health outcomes, primary health centres in low- and middle-income settings continue to underperform. Little research exists to adequately explain how and why this is the case. This study aimed to test the relevance and usefulness of an adapted conceptual framework for improving our understanding of the mechanisms and causal pathways influencing primary health centre performance. A theory-driven, case-study approach was adopted. Four Zambian health centres were purposefully selected with case data including health-care worker interviews (n = 60); patient interviews (n = 180); direct observation of facility operations (2 weeks/centre) and key informant interviews (n = 14). Data were analysed to understand how the performance of each site was influenced by the dynamic interactions between system 'hardware' and 'software' acting on mechanisms of accountability. Structural constraints including limited resources created challenging service environments in which work overload and stockouts were common. Health workers' frustration with such conditions interacted with dissatisfaction with salary levels eroding service values and acting as a catalyst for different forms of absenteeism. Such behaviours exacerbated patient-provider ratios and increased the frequency of clinical and administrative shortcuts. Weak health information systems and lack of performance data undermined providers' answerability to their employer and clients, and a lack of effective sanctions undermined supervisors' ability to hold providers accountable for these transgressions. Weak answerability and enforceability contributed to a culture of impunity that masked and condoned weak service performance in all four sites. Health centre performance is influenced by mechanisms of accountability, which are in turn shaped by dynamic interactions between system hardware and system software. Our findings confirm the usefulness of combining Sheikh et al.'s (2011) hardware-software model with Brinkerhoff's (2004) typology of accountability to better understand how and why health centre micro-systems perform (or under-perform) under certain conditions. Published by Oxford University Press in association with The London School of Hygiene and Tropical Medicine © The Author 2014.

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

Zweig-rule-satisfying inelastic rescattering in B decays to pseudoscalar mesons

NASA Astrophysics Data System (ADS)

Łach, P.; Żenczykowski, P.

2002-09-01

We discuss all contributions from Zweig-rule-satisfying SU(3)-symmetric inelastic final state interaction (FSI)-induced corrections in B decays to ππ, πK, KK¯, πη(η'), and Kη(η'). We show how all of these FSI corrections lead to a simple redefinition of the amplitudes, permitting the use of a simple diagram-based description, in which, however, weak phases may enter in a modified way. The inclusion of FSI corrections admitted by the present data allows an arbitrary relative phase between the penguin and tree short-distance amplitudes. The FSI-induced error of the method, in which the value of the weak phase γ is to be determined by combining future results from B+,B0d,B0s decays to Kπ, is estimated to be of the order of 5° for γ~50°-60°.

Anti-Weak Localization Measurements in the Ballistic Regime

NASA Astrophysics Data System (ADS)

Jayathilaka, Dilhani; Dedigama, Aruna; Murphy, Sheena; Edirisooriya, Madhavie; Goel, Niti; Mishima, Tetsuya; Santos, Michael; Mullen, Kieran

2007-03-01

Anti-weak localization dominates at low fields in systems in which spin-orbit coupling is strong. The experimental results are well described by theory [1] in low mobility systems in which the magnetic length (lB) is greater than the mean free path; however high mobility systems with strong spin-orbit interactions, such the InSb based two dimensional systems (2DESs) examined here, are not in this diffusive regime. A recently developed theory [2] addresses both the diffusive and ballistic regimes taking into account both the backscattered and non-backscattered contributions to the conductivity. We will discuss the agreement of the new theory to measurements of InSb 2DESs prepared with both strong Dresselhaus and Rashba effects. [1] S.V. Iordanskii, Yu B. Lyanda-Geller, and G.E. Pikus, JETP Lett. 60, 206 (1994). [2] L.E. Golub, Phys. Rev. B. 71, 235310 (2005).

Thermodynamic Basis of Selectivity in the Interactions of Tissue Inhibitors of Metalloproteinases N-domains with Matrix Metalloproteinases-1, -3, and -14*

PubMed Central

Zou, Haiyin; Wu, Ying

2016-01-01

The four tissue inhibitors of metalloproteinases (TIMPs) are potent inhibitors of the many matrixins (MMPs), except that TIMP1 weakly inhibits some MMPs, including MMP14. The broad-spectrum inhibition of MMPs by TIMPs and their N-domains (NTIMPs) is consistent with the previous isothermal titration calorimetric finding that their interactions are entropy-driven but differ in contributions from solvent and conformational entropy (ΔSsolv, ΔSconf), estimated using heat capacity changes (ΔCp). Selective engineered NTIMPs have potential applications for treating MMP-related diseases, including cancer and cardiomyopathy. Here we report isothermal titration calorimetric studies of the effects of selectivity-modifying mutations in NTIMP1 and NTIMP2 on the thermodynamics of their interactions with MMP1, MMP3, and MMP14. The weak inhibition of MMP14 by NTIMP1 reflects a large conformational entropy penalty for binding. The T98L mutation, peripheral to the NTIMP1 reactive site, enhances binding by increasing ΔSsolv but also reduces ΔSconf. However, the same mutation increases NTIMP1 binding to MMP3 in an interaction that has an unusual positive ΔCp. This indicates a decrease in solvent entropy compensated by increased conformational entropy, possibly reflecting interactions involving alternative conformers. The NTIMP2 mutant, S2D/S4A is a selective MMP1 inhibitor through electrostatic effects of a unique MMP-1 arginine. Asp-2 increases reactive site polarity, reducing ΔCp, but increases conformational entropy to maintain strong binding to MMP1. There is a strong negative correlation between ΔSsolv and ΔSconf for all characterized interactions, but the data for each MMP have characteristic ranges, reflecting intrinsic differences in the structures and dynamics of their free and inhibitor-bound forms. PMID:27033700

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.

Angular ellipticity correlations in a composite alignment model for elliptical and spiral galaxies and inference from weak lensing

NASA Astrophysics Data System (ADS)

Tugendhat, Tim M.; Schäfer, Björn Malte

2018-05-01

We investigate a physical, composite alignment model for both spiral and elliptical galaxies and its impact on cosmological parameter estimation from weak lensing for a tomographic survey. Ellipticity correlation functions and angular ellipticity spectra for spiral and elliptical galaxies are derived on the basis of tidal interactions with the cosmic large-scale structure and compared to the tomographic weak-lensing signal. We find that elliptical galaxies cause a contribution to the weak-lensing dominated ellipticity correlation on intermediate angular scales between ℓ ≃ 40 and ℓ ≃ 400 before that of spiral galaxies dominates on higher multipoles. The predominant term on intermediate scales is the negative cross-correlation between intrinsic alignments and weak gravitational lensing (GI-alignment). We simulate parameter inference from weak gravitational lensing with intrinsic alignments unaccounted; the bias induced by ignoring intrinsic alignments in a survey like Euclid is shown to be several times larger than the statistical error and can lead to faulty conclusions when comparing to other observations. The biases generally point into different directions in parameter space, such that in some cases one can observe a partial cancellation effect. Furthermore, it is shown that the biases increase with the number of tomographic bins used for the parameter estimation process. We quantify this parameter estimation bias in units of the statistical error and compute the loss of Bayesian evidence for a model due to the presence of systematic errors as well as the Kullback-Leibler divergence to quantify the distance between the true model and the wrongly inferred one.

Protein Stability in Mixed Solvents: A Balance of Contact Interaction and Excluded Volume

PubMed Central

Schellman, John A.

2003-01-01

Changes in excluded volume and contact interaction with the surface of a protein have been suggested as mechanisms for the changes in stability induced by cosolvents. The aim of the present paper is to present an analysis that combines both effects in a quantitative manner. The result is that both processes are present in both stabilizing and destabilizing interactions and neither can be ignored. Excluded volume was estimated using accessible surface area calculations of the kind introduced by Lee and Richards. The change in excluded volume on unfolding, ΔX, is quite large. For example, ΔX for ribonuclease is 6.7 L in urea and ∼16 L in sucrose. The latter number is greater than the molar volume of the protein. Direct interaction with the protein is represented as the solvent exchange mechanism, which differs from ordinary association theory because of the weakness of the interaction and the high concentrations of cosolvents. The balance between the two effects and their contribution to overall stability are most simply presented as bar diagrams as in Fig. 3. Our finding for five proteins is that excluded volume contributes to the stabilization of the native structure and that contact interaction contributes to destabilization. This is true for five proteins and four cosolvents including both denaturants and osmolytes. Whether a substance stabilizes a protein or destabilizes it depends on the relative size of these two contributions. The constant for the cosolvent contact with the protein is remarkably uniform for four of the proteins, indicating a similarity of groups exposed during unfolding. One protein, staphylococcus nuclease, is anomalous in almost all respects. In general, the strength of the interaction with guanidinium is about twice that of urea, which is about twice that of trimethylamine-N-oxide and sucrose. Arguments are presented for the use of volume fractions in equilibrium equations and the ignoring of activity coefficients of the cosolvent. It is shown in the Appendix that both the excluded volume and the direct interaction can be extracted in a unified way from the McMillan-Mayer formula for the second virial coefficient. PMID:12829469

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

Quantitative analysis of weak interactions by Lattice energy calculation, Hirshfeld surface and DFT studies of sulfamonomethoxine

NASA Astrophysics Data System (ADS)

Patel, Kinjal D.; Patel, Urmila H.

2017-01-01

Sulfamonomethoxine, 4-Amino-N-(6-methoxy-4-pyrimidinyl) benzenesulfonamide (C11H12N4O3S), is investigated by single crystal X-ray diffraction technique. Pair of N-H⋯N and C-H⋯O intermolecular interactions along with π···π interaction are responsible for the stability of the molecular packing of the structure. In order to understand the nature of the interactions and their quantitative contributions towards the crystal packing, the 3D Hirshfeld surface and 2D fingerprint plot analysis are carried out. PIXEL calculations are performed to determine the lattice energies correspond to intermolecular interactions in the crystal structure. Ab initio quantum chemical calculations of sulfamonomethoxine (SMM) have been performed by B3LYP method, using 6-31G** basis set with the help of Schrodinger software. The computed geometrical parameters are in good agreement with the experimental data. The Mulliken charge distribution, calculated using B3LYP method to confirm the presence of electron acceptor and electron donor atoms, responsible for intermolecular hydrogen bond interactions hence the molecular stability.

Insight into organic reactions from the direct random phase approximation and its corrections

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

Ruzsinszky, Adrienn; Zhang, Igor Ying; Scheffler, Matthias

2015-10-14

The performance of the random phase approximation (RPA) and beyond-RPA approximations for the treatment of electron correlation is benchmarked on three different molecular test sets. The test sets are chosen to represent three typical sources of error which can contribute to the failure of most density functional approximations in chemical reactions. The first test set (atomization and n-homodesmotic reactions) offers a gradually increasing balance of error from the chemical environment. The second test set (Diels-Alder reaction cycloaddition = DARC) reflects more the effect of weak dispersion interactions in chemical reactions. Finally, the third test set (self-interaction error 11 = SIE11)more » represents reactions which are exposed to noticeable self-interaction errors. This work seeks to answer whether any one of the many-body approximations considered here successfully addresses all these challenges.« less

Ionization of Atoms by Slow Heavy Particles, Including Dark Matter.

PubMed

Roberts, B M; Flambaum, V V; Gribakin, G F

2016-01-15

Atoms and molecules can become ionized during the scattering of a slow, heavy particle off a bound electron. Such an interaction involving leptophilic weakly interacting massive particles (WIMPs) is a promising possible explanation for the anomalous 9σ annual modulation in the DAMA dark matter direct detection experiment [R. Bernabei et al., Eur. Phys. J. C 73, 2648 (2013)]. We demonstrate the applicability of the Born approximation for such an interaction by showing its equivalence to the semiclassical adiabatic treatment of atomic ionization by slow-moving WIMPs. Conventional wisdom has it that the ionization probability for such a process should be exponentially small. We show, however, that due to nonanalytic, cusplike behavior of Coulomb functions close to the nucleus this suppression is removed, leading to an effective atomic structure enhancement. We also show that electron relativistic effects actually give the dominant contribution to such a process, enhancing the differential cross section by up to 1000 times.

Deposition kinetics of colloidal particles at high ionic strengths

NASA Astrophysics Data System (ADS)

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

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

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.

Zero-Field Spin Structure and Spin Reorientations in Layered Organic Antiferromagnet, κ-(BEDT-TTF)2Cu[N(CN)2]Cl, with Dzyaloshinskii-Moriya Interaction

NASA Astrophysics Data System (ADS)

Ishikawa, Rui; Tsunakawa, Hitoshi; Oinuma, Kohsuke; Michimura, Shinji; Taniguchi, Hiromi; Satoh, Kazuhiko; Ishii, Yasuyuki; Okamoto, Hiroyuki

2018-06-01

Detailed magnetization measurements enabled us to claim that the layered organic insulator κ-(BEDT-TTF)2Cu[N(CN)2]Cl [BEDT-TTF: bis(ethylenedithio)tetrathiafulvalene] with the Dzyaloshinskii-Moriya interaction has an antiferromagnetic spin structure with the easy axis being the crystallographic c-axis and the net canting moment parallel to the a-axis at zero magnetic field. This zero-field spin structure is significantly different from that proposed in the past studies. The assignment was achieved by arguments including a correction of the direction of the weak ferromagnetism, reinterpretations of magnetization behaviors, and reasoning based on known high-field spin structures. We suggest that only the contributions of the strong intralayer antiferromagnetic interaction, the moderately weak Dzyaloshinskii-Moriya interaction, and the very weak interlayer ferromagnetic interaction can realize this spin structure. On the basis of this model, characteristic magnetic-field dependences of the magnetization can be interpreted as consequences of intriguing spin reorientations. The first reorientation is an unusual spin-flop transition under a magnetic field parallel to the b-axis. Although the existence of this transition is already known, the interpretation of what happens at this transition has been significantly revised. We suggest that this transition can be regarded as a spin-flop phenomenon of the local canting moment. We also claim that half of the spins rotate by 180° at this transition, in contrast to the conventional spin flop transition. The second reorientation is the gradual rotation of the spins during the variation of the magnetic field parallel to the c-axis. In this process, all the spins rotate around the Dzyaloshinskii-Moriya vectors by 90°. The results of our simulation based on the classical spin model well reproduce these spin reorientation behaviors, which strongly support our claimed zero-field spin structure. The present study highlights the intriguing low-field magnetic properties of this material and may evoke further research on the low-field magnetism in this class of materials.

Electron-phonon interaction in three-barrier nanosystems as active elements of quantum cascade detectors

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

Tkach, N. V., E-mail: ktf@chnu.edu.ua; Seti, Ju. A.; Grynyshyn, Yu. B.

2015-04-15

The theory of electron tunneling through an open nanostructure as an active element of a quantum cascade detector is developed, which takes into account the interaction of electrons with confined and interface phonons. Using the method of finite-temperature Green’s functions and the electron-phonon Hamiltonian in the representation of second quantization over all system variables, the temperature shifts and electron-level widths are calculated and the contributions of different electron-phonon-interaction mechanisms to renormalization of the spectral parameters are analyzed depending on the geometrical configuration of the nanosystem. Due to weak electron-phonon coupling in a GaAs/Al{sub 0.34}Ga{sub 0.66}As-based resonant tunneling nanostructure, the temperaturemore » shift and rf field absorption peak width are not very sensitive to the electron-phonon interaction and result from a decrease in potential barrier heights caused by a difference in the temperature dependences of the well and barrier band gaps.« less

Matrix metalloproteinase-10/TIMP-2 structure and analyses define conserved core interactions and diverse exosite interactions in MMP/TIMP complexes.

PubMed

Batra, Jyotica; Soares, Alexei S; Mehner, Christine; Radisky, Evette S

2013-01-01

Matrix metalloproteinases (MMPs) play central roles in vertebrate tissue development, remodeling, and repair. The endogenous tissue inhibitors of metalloproteinases (TIMPs) regulate proteolytic activity by binding tightly to the MMP active site. While each of the four TIMPs can inhibit most MMPs, binding data reveal tremendous heterogeneity in affinities of different TIMP/MMP pairs, and the structural features that differentiate stronger from weaker complexes are poorly understood. Here we report the crystal structure of the comparatively weakly bound human MMP-10/TIMP-2 complex at 2.1 Å resolution. Comparison with previously reported structures of MMP-3/TIMP-1, MT1-MMP/TIMP-2, MMP-13/TIMP-2, and MMP-10/TIMP-1 complexes offers insights into the structural basis of binding selectivity. Our analyses identify a group of highly conserved contacts at the heart of MMP/TIMP complexes that define the conserved mechanism of inhibition, as well as a second category of diverse adventitious contacts at the periphery of the interfaces. The AB loop of the TIMP N-terminal domain and the contact loops of the TIMP C-terminal domain form highly variable peripheral contacts that can be considered as separate exosite interactions. In some complexes these exosite contacts are extensive, while in other complexes the AB loop or C-terminal domain contacts are greatly reduced and appear to contribute little to complex stability. Our data suggest that exosite interactions can enhance MMP/TIMP binding, although in the relatively weakly bound MMP-10/TIMP-2 complex they are not well optimized to do so. Formation of highly variable exosite interactions may provide a general mechanism by which TIMPs are fine-tuned for distinct regulatory roles in biology.

Group Contribution Methods for Phase Equilibrium Calculations.

PubMed

Gmehling, Jürgen; Constantinescu, Dana; Schmid, Bastian

2015-01-01

The development and design of chemical processes are carried out by solving the balance equations of a mathematical model for sections of or the whole chemical plant with the help of process simulators. For process simulation, besides kinetic data for the chemical reaction, various pure component and mixture properties are required. Because of the great importance of separation processes for a chemical plant in particular, a reliable knowledge of the phase equilibrium behavior is required. The phase equilibrium behavior can be calculated with the help of modern equations of state or g(E)-models using only binary parameters. But unfortunately, only a very small part of the experimental data for fitting the required binary model parameters is available, so very often these models cannot be applied directly. To solve this problem, powerful predictive thermodynamic models have been developed. Group contribution methods allow the prediction of the required phase equilibrium data using only a limited number of group interaction parameters. A prerequisite for fitting the required group interaction parameters is a comprehensive database. That is why for the development of powerful group contribution methods almost all published pure component properties, phase equilibrium data, excess properties, etc., were stored in computerized form in the Dortmund Data Bank. In this review, the present status, weaknesses, advantages and disadvantages, possible applications, and typical results of the different group contribution methods for the calculation of phase equilibria are presented.

The NMR contribution to protein-protein networking in Fe-S protein maturation.

PubMed

Banci, Lucia; Camponeschi, Francesca; Ciofi-Baffoni, Simone; Piccioli, Mario

2018-03-22

Iron-sulfur proteins were among the first class of metalloproteins that were actively studied using NMR spectroscopy tailored to paramagnetic systems. The hyperfine shifts, their temperature dependencies and the relaxation rates of nuclei of cluster-bound residues are an efficient fingerprint of the nature and the oxidation state of the Fe-S cluster. NMR significantly contributed to the analysis of the magnetic coupling patterns and to the understanding of the electronic structure occurring in [2Fe-2S], [3Fe-4S] and [4Fe-4S] clusters bound to proteins. After the first NMR structure of a paramagnetic protein was obtained for the reduced E. halophila HiPIP I, many NMR structures were determined for several Fe-S proteins in different oxidation states. It was found that differences in chemical shifts, in patterns of unobserved residues, in internal mobility and in thermodynamic stability are suitable data to map subtle changes between the two different oxidation states of the protein. Recently, the interaction networks responsible for maturing human mitochondrial and cytosolic Fe-S proteins have been largely characterized by combining solution NMR standard experiments with those tailored to paramagnetic systems. We show here the contribution of solution NMR in providing a detailed molecular view of "Fe-S interactomics". This contribution was particularly effective when protein-protein interactions are weak and transient, and thus difficult to be characterized at high resolution with other methodologies.

Transport of a Bose gas in 1D disordered lattices at the fluid-insulator transition.

PubMed

Tanzi, Luca; Lucioni, Eleonora; Chaudhuri, Saptarishi; Gori, Lorenzo; Kumar, Avinash; D'Errico, Chiara; Inguscio, Massimo; Modugno, Giovanni

2013-09-13

We investigate the momentum-dependent transport of 1D quasicondensates in quasiperiodic optical lattices. We observe a sharp crossover from a weakly dissipative regime to a strongly unstable one at a disorder-dependent critical momentum. In the limit of nondisordered lattices the observations suggest a contribution of quantum phase slips to the dissipation. We identify a set of critical disorder and interaction strengths for which such critical momentum vanishes, separating a fluid regime from an insulating one. We relate our observation to the predicted zero-temperature superfluid-Bose glass transition.

Hole dephasing caused by hole-hole interaction in a multilayered black phosphorus.

PubMed

Li, Lijun; Khan, Muhammad Atif; Lee, Yoontae; Lee, Inyeal; Yun, Sun Jin; Youn, Doo-Hyeb; Kim, Gil-Ho

2017-11-01

We study the magnetotransport of holes in a multilayered black phosphorus in a temperature range of 1.9 to 21.5 K. We observed a negative magnetoresistance at magnetic fields up to 1.5 T. This negative magetoresistance was analyzed by weak localization theory in diffusive regime. At the lowest temperature and the highest carrier density we found a phase coherence length of 48 nm. The linear temperature dependence of the dephasing rate shows that the hole-hole scattering processes with small energy transfer are the dominant contribution in breaking the carrier phase coherence.

Weak Interactions Group

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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

Thermodynamics of the interaction of the food additive tartrazine with serum albumins: a microcalorimetric investigation.

PubMed

Basu, Anirban; Kumar, Gopinatha Suresh

2015-05-15

The thermodynamics of the interaction of the food colourant tartrazine with two homologous serum proteins, HSA and BSA, were investigated, employing microcalorimetric techniques. At T=298.15K the equilibrium constants for the tartrazine-BSA and HSA complexation process were evaluated to be (1.92 ± 0.05) × 10(5)M(-1) and (1.04 ± 0.05) × 10(5)M(-1), respectively. The binding was driven by a large negative standard molar enthalpic contribution. The binding was dominated essentially by non-polyelectrolytic forces which remained largely invariant at all salt concentrations. The polyelectrolytic contribution was weak at all salt concentrations and accounted for only 6-18% of the total standard molar Gibbs energy change in the salt concentration range 10-50mM. The negative standard molar heat capacity values, in conjunction with the enthalpy-entropy compensation phenomenon observed, established the involvement of dominant hydrophobic forces in the complexation process. Tartrazine enhanced the stability of both serum albumins against thermal denaturation. Copyright © 2014 Elsevier Ltd. All rights reserved.

Loschmidt echo as a robust decoherence quantifier for many-body systems

NASA Astrophysics Data System (ADS)

Zangara, Pablo R.; Dente, Axel D.; Levstein, Patricia R.; Pastawski, Horacio M.

2012-07-01

We employ the Loschmidt echo, i.e., the signal recovered after the reversal of an evolution, to identify and quantify the processes contributing to decoherence. This procedure, which has been extensively used in single-particle physics, is employed here in a spin ladder. The isolated chains have 1/2 spins with XY interaction and their excitations would sustain a one-body-like propagation. One of them constitutes the controlled system S whose reversible dynamics is degraded by the weak coupling with the uncontrolled second chain, i.e., the environment E. The perturbative SE coupling is swept through arbitrary combinations of XY and Ising-like interactions, that contain the standard Heisenberg and dipolar ones. Different time regimes are identified for the Loschmidt echo dynamics in this perturbative configuration. In particular, the exponential decay scales as a Fermi golden rule, where the contributions of the different SE terms are individually evaluated and analyzed. Comparisons with previous analytical and numerical evaluations of decoherence based on the attenuation of specific interferences show that the Loschmidt echo is an advantageous decoherence quantifier at any time, regardless of the S internal dynamics.

RodZ and PgsA Play Intertwined Roles in Membrane Homeostasis of Bacillus subtilis and Resistance to Weak Organic Acid Stress

PubMed Central

van Beilen, Johan; Blohmke, Christoph J.; Folkerts, Hendrik; de Boer, Richard; Zakrzewska, Anna; Kulik, Wim; Vaz, Fred M.; Brul, Stanley; Ter Beek, Alexander

2016-01-01

Weak organic acids like sorbic and acetic acid are widely used to prevent growth of spoilage organisms such as Bacilli. To identify genes involved in weak acid stress tolerance we screened a transposon mutant library of Bacillus subtilis for sorbic acid sensitivity. Mutants of the rodZ (ymfM) gene were found to be hypersensitive to the lipophilic weak organic acid. RodZ is involved in determining the cell’s rod-shape and believed to interact with the bacterial actin-like MreB cytoskeleton. Since rodZ lies upstream in the genome of the essential gene pgsA (phosphatidylglycerol phosphate synthase) we hypothesized that expression of the latter might also be affected in rodZ mutants and hence contribute to the phenotype observed. We show that both genes are co-transcribed and that both the rodZ::mini-Tn10 mutant and a conditional pgsA mutant, under conditions of minimal pgsA expression, were sensitive to sorbic and acetic acid. Both strains displayed a severely altered membrane composition. Compared to the wild-type strain, phosphatidylglycerol and cardiolipin levels were lowered and the average acyl chain length was elongated. Induction of rodZ expression from a plasmid in our transposon mutant led to no recovery of weak acid susceptibility comparable to wild-type levels. However, pgsA overexpression in the same mutant partly restored sorbic acid susceptibility and fully restored acetic acid sensitivity. A construct containing both rodZ and pgsA as on the genome led to some restored growth as well. We propose that RodZ and PgsA play intertwined roles in membrane homeostasis and tolerance to weak organic acid stress. PMID:27818647

Quantum controlled-Z gate for weakly interacting qubits

NASA Astrophysics Data System (ADS)

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

2015-08-01

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

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

NASA Astrophysics Data System (ADS)

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

2017-12-01

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

Experimental limits on weak annihilation contributions to decays.

PubMed

Rosner, J L; Adam, N E; Alexander, J P; Berkelman, K; Cassel, D G; Duboscq, J E; Ecklund, K M; Ehrlich, R; Fields, L; Gibbons, L; Gray, R; Gray, S W; Hartill, D L; Heltsley, B K; Hertz, D; Jones, C D; Kandaswamy, J; Kreinick, D L; Kuznetsov, V E; Mahlke-Krüger, H; Meyer, T O; Onyisi, P U E; Patterson, J R; Peterson, D; Phillips, E A; Pivarski, J; Riley, D; Ryd, A; Sadoff, A J; Schwarthoff, H; Shi, X; Stroiney, S; Sun, W M; Wilksen, T; Weinberger, M; Athar, S B; Avery, P; Breva-Newell, L; Patel, R; Potlia, V; Stoeck, H; Yelton, J; Rubin, P; Cawlfield, C; Eisenstein, B I; Karliner, I; Kim, D; Lowrey, N; Naik, P; Sedlack, C; Selen, M; Thaler, J J; White, E J; Wiss, J; Shepherd, M R; Asner, D M; Edwards, K W; Besson, D; Pedlar, T K; Cronin-Hennessy, D; Gao, K Y; Gong, D T; Hietala, J; Kubota, Y; Klein, T; Lang, B W; Poling, R; Scott, A W; Smith, A; Dobbs, S; Metreveli, Z; Seth, K K; Tomaradze, A; Zweber, P; Ernst, J; Arms, K; Severini, H; Dytman, S A; Love, W; Mehrabyan, S; Mueller, J A; Savinov, V; Li, Z; Lopez, A; Mendez, H; Ramirez, J; Huang, G S; Miller, D H; Pavlunin, V; Sanghi, B; Shipsey, I P J; Adams, G S; Anderson, M; Cummings, J P; Danko, I; Napolitano, J; He, Q; Muramatsu, H; Park, C S; Thorndike, E H; Coan, T E; Gao, Y S; Liu, F; Stroynowski, R; Artuso, M; Boulahouache, C; Blusk, S; Butt, J; Li, J; Menaa, N; Mountain, R; Nisar, S; Randrianarivony, K; Redjimi, R; Sia, R; Skwarnicki, T; Stone, S; Wang, J C; Zhang, K; Csorna, S E; Bonvicini, G; Cinabro, D; Dubrovin, M; Lincoln, A; Weinstein, A J; Briere, R A; Chen, G P; Chen, J; Ferguson, T; Tatishvili, G; Vogel, H; Watkins, M E

2006-03-31

We present the first experimental limits on high-q2 contributions to charmless semileptonic decays of the form expected from the weak annihilation (WA) decay mechanism. Such contributions could bias determinations of /Vub/ from inclusive measurements of B-->Xulupsilon. Using a wide range of models based on available theoretical input we set a limit of GammaWA/Gammab-->u<7.4% (90% confidence level) on the WA fraction, and assess the impact on previous inclusive determinations of /Vub/.

High precision analytical description of the allowed β spectrum shape

NASA Astrophysics Data System (ADS)

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

2018-01-01

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

Disentangling weak and strong interactions in B→ K^{*}(→ Kπ )π Dalitz-plot analyses

NASA Astrophysics Data System (ADS)

Charles, Jérôme; Descotes-Genon, Sébastien; Ocariz, José; Pérez Pérez, Alejandro

2017-08-01

Dalitz-plot analyses of B→ Kπ π decays provide direct access to decay amplitudes, and thereby weak and strong phases can be disentangled by resolving the interference patterns in phase space between intermediate resonant states. A phenomenological isospin analysis of B→ K^*(→ Kπ )π decay amplitudes is presented exploiting available amplitude analyses performed at the BaBar, Belle and LHCb experiments. A first application consists in constraining the CKM parameters thanks to an external hadronic input. A method, proposed some time ago by two different groups and relying on a bound on the electroweak penguin contribution, is shown to lack the desired robustness and accuracy, and we propose a more alluring alternative using a bound on the annihilation contribution. A second application consists in extracting information on hadronic amplitudes assuming the values of the CKM parameters from a global fit to quark flavour data. The current data yields several solutions, which do not fully support the hierarchy of hadronic amplitudes usually expected from theoretical arguments (colour suppression, suppression of electroweak penguins), as illustrated from computations within QCD factorisation. Some prospects concerning the impact of future measurements at LHCb and Belle II are also presented. Results are obtained with the CKMfitter analysis package, featuring the frequentist statistical approach and using the Rfit scheme to handle theoretical uncertainties.

Combining Density Functional Theory and Green's Function Theory: Range-Separated, Nonlocal, Dynamic, and Orbital-Dependent Hybrid Functional.

PubMed

Kananenka, Alexei A; Zgid, Dominika

2017-11-14

We present a rigorous framework which combines single-particle Green's function theory with density functional theory based on a separation of electron-electron interactions into short- and long-range components. Short-range contribution to the total energy and exchange-correlation potential is provided by a density functional approximation, while the long-range contribution is calculated using an explicit many-body Green's function method. Such a hybrid results in a nonlocal, dynamic, and orbital-dependent exchange-correlation functional of a single-particle Green's function. In particular, we present a range-separated hybrid functional called srSVWN5-lrGF2 which combines the local-density approximation and the second-order Green's function theory. We illustrate that similarly to density functional approximations, the new functional is weakly basis-set dependent. Furthermore, it offers an improved description of the short-range dynamic correlation. The many-body contribution to the functional mitigates the many-electron self-interaction error present in many density functional approximations and provides a better description of molecular properties. Additionally, we illustrate that the new functional can be used to scale down the self-energy and, therefore, introduce an additional sparsity to the self-energy matrix that in the future can be exploited in calculations for large molecules or periodic systems.

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 Independent Gradient Model: A New Approach for Probing Strong and Weak Interactions in Molecules from Wave Function Calculations.

PubMed

Lefebvre, Corentin; Khartabil, Hassan; Boisson, Jean-Charles; Contreras-García, Julia; Piquemal, Jean-Philip; Hénon, Eric

2018-03-19

Extraction of the chemical interaction signature from local descriptors based on electron density (ED) is still a fruitful field of development in chemical interpretation. In a previous work that used promolecular ED (frozen ED), the new descriptor, δg , was defined. It represents the difference between a virtual upper limit of the ED gradient (∇ρIGM , IGM=independent gradient model) that represents a noninteracting system and the true ED gradient (∇ρ ). It can be seen as a measure of electron sharing brought by ED contragradience. A compelling feature of this model is to provide an automatic workflow that extracts the signature of interactions between selected groups of atoms. As with the noncovalent interaction (NCI) approach, it provides chemists with a visual understanding of the interactions present in chemical systems. ∇ρIGM is achieved simply by using absolute values upon summing the individual gradient contributions that make up the total ED gradient. Hereby, we extend this model to relaxed ED calculated from a wave function. To this end, we formulated gradient-based partitioning (GBP) to assess the contribution of each orbital to the total ED gradient. We highlight these new possibilities across two prototypical examples of organic chemistry: the unconventional hexamethylbenzene dication, with a hexa-coordinated carbon atom, and β-thioaminoacrolein. It will be shown how a bond-by-bond picture can be obtained from a wave function, which opens the way to monitor specific interactions along reaction paths. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Interactive Book Reading to Accelerate Word Learning by Kindergarten Children With Specific Language Impairment: Identifying Adequate Progress and Successful Learning Patterns.

PubMed

Storkel, Holly L; Komesidou, Rouzana; Fleming, Kandace K; Romine, Rebecca Swinburne

2017-04-20

The goal of this study was to provide guidance to clinicians on early benchmarks of successful word learning in an interactive book reading treatment and to examine how encoding and memory evolution during treatment contribute to word learning outcomes by kindergarten children with specific language impairment (SLI). Twenty-seven kindergarten children with SLI participated in a preliminary clinical trial using interactive book reading to teach 30 new words. Word learning was assessed at 4 points during treatment through a picture naming test. The results indicate that the following performance during treatment was cause for concern, indicating a need to modify the treatment: naming 0-1 treated words correctly at Naming Test 1; naming 0-2 treated words correctly at Naming Test 2; naming 0-3 treated words correctly at Naming Test 3. In addition, the results showed that encoding was the primary limiting factor in word learning, but rmemory evolution also contributed (albeit to a lesser degree) to word learning success. Case illustrations demonstrate how a clinician's understanding of a child's word learning strengths and weaknesses develop over the course of treatment, substantiating the importance of regular data collection and clinical decision-making to ensure the best possible outcomes for each individual child.

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.

The moderating role of personal resources in the relationship between psychosocial job demands and health: a cross-sectional study.

PubMed

Mayerl, Hannes; Stolz, Erwin; Großschädl, Franziska; Rásky, Éva; Freidl, Wolfgang

2017-08-28

The main objective of this research was to investigate the buffering effects of an individual's physical, mental and social resources in the relationship between psychosocial job demands and (1) health symptoms, (2) mental strain and (3) the body mass index (BMI), respectively. We performed moderated regression analysis to examine data from a large cross-sectional survey of an Austrian employee sample (n = 9434). The results revealed a robust association between psychosocial job demands and health symptoms as well as mental strain, but only a weak relationship between psychosocial job demands and BMI. Although the personal resources showed a positive effect on health symptoms and mental strain, only weak evidence was found for the hypothesised interaction with psychosocial job demands. Solely the physical fitness of a person was found to mitigate the impact of psychosocial job demands on health symptoms. In conclusion, personal resources substantially accounted for the prediction of health. However, the interactions between psychosocial job demands and personal resources only slightly contributed to explaining the variation in health. © Article author(s) (or their employer(s) unless otherwise stated in the text of the article) 2017. All rights reserved. No commercial use is permitted unless otherwise expressly granted.

Polaronic behavior in a weak-coupling superconductor.

PubMed

Swartz, Adrian G; Inoue, Hisashi; Merz, Tyler A; Hikita, Yasuyuki; Raghu, Srinivas; Devereaux, Thomas P; Johnston, Steven; Hwang, Harold Y

2018-02-13

The nature of superconductivity in the dilute semiconductor SrTiO 3 has remained an open question for more than 50 y. The extremely low carrier densities ([Formula: see text]-[Formula: see text] cm -3 ) at which superconductivity occurs suggest an unconventional origin of superconductivity outside of the adiabatic limit on which the Bardeen-Cooper-Schrieffer (BCS) and Migdal-Eliashberg (ME) theories are based. We take advantage of a newly developed method for engineering band alignments at oxide interfaces and access the electronic structure of Nb-doped SrTiO 3 , using high-resolution tunneling spectroscopy. We observe strong coupling to the highest-energy longitudinal optic (LO) phonon branch and estimate the doping evolution of the dimensionless electron-phonon interaction strength ([Formula: see text]). Upon cooling below the superconducting transition temperature ([Formula: see text]), we observe a single superconducting gap corresponding to the weak-coupling limit of BCS theory, indicating an order of magnitude smaller coupling ([Formula: see text]). These results suggest that despite the strong normal state interaction with electrons, the highest LO phonon does not provide a dominant contribution to pairing. They further demonstrate that SrTiO 3 is an ideal system to probe superconductivity over a wide range of carrier density, adiabatic parameter, and electron-phonon coupling strength.

Polaronic behavior in a weak-coupling superconductor

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

Swartz, Adrian G.; Inoue, Hisashi; Merz, Tyler A.

We report the nature of superconductivity in the dilute semiconductor SrTiO 3 has remained an open question for more than 50 y. The extremely low carrier densities (10 18–10 20 cm -3) at which superconductivity occurs suggest an unconventional origin of superconductivity outside of the adiabatic limit on which the Bardeen–Cooper–Schrieffer (BCS) and Migdal–Eliashberg (ME) theories are based. We take advantage of a newly developed method for engineering band alignments at oxide interfaces and access the electronic structure of Nb-doped SrTiO 3, using high-resolution tunneling spectroscopy. We observe strong coupling to the highest-energy longitudinal optic (LO) phonon branch and estimatemore » the doping evolution of the dimensionless electron–phonon interaction strength (λ). Upon cooling below the superconducting transition temperature (T c), we observe a single superconducting gap corresponding to the weak-coupling limit of BCS theory, indicating an order of magnitude smaller coupling (λ BCS≈0.1). These results suggest that despite the strong normal state interaction with electrons, the highest LO phonon does not provide a dominant contribution to pairing. Finally, they further demonstrate that SrTiO 3 is an ideal system to probe superconductivity over a wide range of carrier density, adiabatic parameter, and electron–phonon coupling strength.« less

Polaronic behavior in a weak-coupling superconductor

DOE PAGES

Swartz, Adrian G.; Inoue, Hisashi; Merz, Tyler A.; ...

2018-01-30

We report the nature of superconductivity in the dilute semiconductor SrTiO 3 has remained an open question for more than 50 y. The extremely low carrier densities (10 18–10 20 cm -3) at which superconductivity occurs suggest an unconventional origin of superconductivity outside of the adiabatic limit on which the Bardeen–Cooper–Schrieffer (BCS) and Migdal–Eliashberg (ME) theories are based. We take advantage of a newly developed method for engineering band alignments at oxide interfaces and access the electronic structure of Nb-doped SrTiO 3, using high-resolution tunneling spectroscopy. We observe strong coupling to the highest-energy longitudinal optic (LO) phonon branch and estimatemore » the doping evolution of the dimensionless electron–phonon interaction strength (λ). Upon cooling below the superconducting transition temperature (T c), we observe a single superconducting gap corresponding to the weak-coupling limit of BCS theory, indicating an order of magnitude smaller coupling (λ BCS≈0.1). These results suggest that despite the strong normal state interaction with electrons, the highest LO phonon does not provide a dominant contribution to pairing. Finally, they further demonstrate that SrTiO 3 is an ideal system to probe superconductivity over a wide range of carrier density, adiabatic parameter, and electron–phonon coupling strength.« less

The power of power: electrokinetic control of PAH interactions with exfoliated graphite.

PubMed

Qin, Jinyi; Moustafa, Ahmed; Harms, Hauke; El-Din, Mohamed Gamal; Wick, Lukas Y

2015-05-15

Exfoliated graphite (EG) exhibits exceptional sorption capacity for petroleum and dissolved hydrocarbons owing to its highly hydrophobic surface and wide pore size distribution. The high price of preparing EG, however, restricts its application. Methods which increase the rate or extent of sorption to EG even further are thus longed for. Here, we assess the effects of weak direct current (DC) fields on the sorption of the polycyclic aromatic hydrocarbon phenanthrene (PHE) to EG. DC applied to an ionic solution in a solid matrix invokes electroosmotic flow (EOF), i.e., the surface charge-induced movement of the solution. EG was exposed to weak DC fields in the presence of dissolved PHE to test if EOF increases transport of PHE to poorly accessible sorption sites. DC fields increased PHE sorption rates in EG sevenfold and reduced the desorption rate of sorbed PHE by >99%. EOF thus appeared to be highly effective in translocating PHE into pores, which contribute most of the sorption sites, but are difficult to access in the absence of EOF by molecular diffusion only. The observed 'power of power' may be used to kinetically regulate the interaction of sorbates with EG or other porous sorbents in environmental (bio-) technology. Copyright © 2015 Elsevier B.V. All rights reserved.

Dispersion interactions in Density Functional Theory

NASA Astrophysics Data System (ADS)

Andrinopoulos, Lampros; Hine, Nicholas; Mostofi, Arash

2012-02-01

Semilocal functionals in Density Functional Theory (DFT) achieve high accuracy simulating a wide range of systems, but miss the effect of dispersion (vdW) interactions, important in weakly bound systems. We study two different methods to include vdW in DFT: First, we investigate a recent approach [1] to evaluate the vdW contribution to the total energy using maximally-localized Wannier functions. Using a set of simple dimers, we show that it has a number of shortcomings that hamper its predictive power; we then develop and implement a series of improvements [2] and obtain binding energies and equilibrium geometries in closer agreement to quantum-chemical coupled-cluster calculations. Second, we implement the vdW-DF functional [3], using Soler's method [4], within ONETEP [5], a linear-scaling DFT code, and apply it to a range of systems. This method within a linear-scaling DFT code allows the simulation of weakly bound systems of larger scale, such as organic/inorganic interfaces, biological systems and implicit solvation models. [1] P. Silvestrelli, JPC A 113, 5224 (2009). [2] L. Andrinopoulos et al, JCP 135, 154105 (2011). [3] M. Dion et al, PRL 92, 246401 (2004). [4] G. Rom'an-P'erez, J.M. Soler, PRL 103, 096102 (2009). [5] C. Skylaris et al, JCP 122, 084119 (2005).

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).

Bulk-edge correspondence, spectral flow and Atiyah-Patodi-Singer theorem for the Z2-invariant in topological insulators

NASA Astrophysics Data System (ADS)

Yu, Yue; Wu, Yong-Shi; Xie, Xincheng

2017-03-01

We study the bulk-edge correspondence in topological insulators by taking Fu-Kane spin pumping model as an example. We show that the Kane-Mele invariant in this model is Z2 invariant modulo the spectral flow of a single-parameter family of 1 + 1-dimensional Dirac operators with a global boundary condition induced by the Kramers degeneracy of the system. This spectral flow is defined as an integer which counts the difference between the number of eigenvalues of the Dirac operator family that flow from negative to non-negative and the number of eigenvalues that flow from non-negative to negative. Since the bulk states of the insulator are completely gapped and the ground state is assumed being no more degenerate except the Kramers, they do not contribute to the spectral flow and only edge states contribute to. The parity of the number of the Kramers pairs of gapless edge states is exactly the same as that of the spectral flow. This reveals the origin of the edge-bulk correspondence, i.e., why the edge states can be used to characterize the topological insulators. Furthermore, the spectral flow is related to the reduced η-invariant and thus counts both the discrete ground state degeneracy and the continuous gapless excitations, which distinguishes the topological insulator from the conventional band insulator even if the edge states open a gap due to a strong interaction between edge modes. We emphasize that these results are also valid even for a weak disordered and/or weak interacting system. The higher spectral flow to categorize the higher-dimensional topological insulators is expected.

Flocculation of deformable emulsion droplets. 2: Interaction energy

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

Petsev, D.N.; Denkov, N.D.; Kralchevsky, P.A.

1995-12-01

The effect of different factors (drop radius, interfacial tension, Hamaker constant, electrolyte, micellar concentrations, etc.) on the interaction energy of emulsion droplets is studied theoretically. It is demonstrated that the deformation of the colliding droplets considerably affects the interaction energy. The contributions of the electrostatic, van der Waals, depletion, steric, and oscillatory surface forces, as well as for the surface stretching and bending energies, are estimated and discussed. The calculations show that the droplets interact as nondeformed spheres when the attractive interactions are weak. At stronger attractions an equilibrium plane parallel film is formed between the droplets, corresponding to minimummore » interaction energy of the system. For droplets in concentrated micellar surfactant solutions the oscillatory surface forces become operative and one can observe several minima of the energy surface,each corresponding to a metastable state with a different number of micellar layers inside the film formed between the droplets. The present theoretical analysis can find applications in predicting the behavior and stability of miniemulsions (containing micrometer and submicrometer droplets), as well as in interpretation of data obtained by light scattering, phase behavior, rheological and osmotic pressure measurements, etc.« less

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

PubMed

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Salihagic, D; Salnikov, A; Salt, J; Salvachua Ferrando, B M; Salvatore, D; Salvatore, F; Salvucci, A; Salzburger, A; Sampsonidis, D; Samset, B H; Sanchez, A; Sandaker, H; Sander, H G; Sanders, M P; Sandhoff, M; Sandoval, T; Sandoval, C; Sandstroem, R; Sandvoss, S; Sankey, D P C; Sansoni, A; Santamarina Rios, C; Santoni, C; Santonico, R; Santos, H; Saraiva, J G; Sarangi, T; Sarkisyan-Grinbaum, E; Sarri, F; Sartisohn, G; Sasaki, O; Sasao, N; Satsounkevitch, I; Sauvage, G; Sauvan, E; Sauvan, J B; Savard, P; Savinov, V; Savu, D O; Sawyer, L; Saxon, D H; Says, L P; Sbarra, C; Sbrizzi, A; Scallon, O; Scannicchio, D A; Scarcella, M; Schaarschmidt, J; Schacht, P; Schäfer, U; Schaepe, S; Schaetzel, S; Schaffer, A C; Schaile, D; Schamberger, R D; Schamov, A G; Scharf, V; Schegelsky, V A; Scheirich, D; Schernau, M; Scherzer, M I; Schiavi, C; Schieck, J; Schioppa, M; Schlenker, S; Schlereth, J L; Schmidt, E; Schmieden, K; Schmitt, C; Schmitt, S; Schmitz, M; Schöning, A; Schott, M; Schouten, D; Schovancova, J; 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Sinervo, P; Sinev, N B; Sipica, V; Siragusa, G; Sircar, A; Sisakyan, A N; Sivoklokov, S Yu; Sjölin, J; Sjursen, T B; Skinnari, L A; Skottowe, H P; Skovpen, K; Skubic, P; Skvorodnev, N; Slater, M; Slavicek, T; Sliwa, K; Sloper, J; Smakhtin, V; Smirnov, S Yu; Smirnova, L N; Smirnova, O; Smith, B C; Smith, D; Smith, K M; Smizanska, M; Smolek, K; Snesarev, A A; Snow, S W; Snow, J; Snuverink, J; Snyder, S; Soares, M; Sobie, R; Sodomka, J; Soffer, A; Solans, C A; Solar, M; Solc, J; Soldatov, E; Soldevila, U; Solfaroli Camillocci, E; Solodkov, A A; Solovyanov, O V; Soni, N; Sopko, V; Sopko, B; Sosebee, M; Soualah, R; Soukharev, A; Spagnolo, S; Spanò, F; Spighi, R; Spigo, G; Spila, F; Spiwoks, R; Spousta, M; Spreitzer, T; Spurlock, B; St Denis, R D; Stahl, T; Stahlman, J; Stamen, R; Stanecka, E; Stanek, R W; Stanescu, C; Stapnes, S; Starchenko, E A; Stark, J; Staroba, P; Starovoitov, P; Staude, A; Stavina, P; Stavropoulos, G; Steele, G; Steinbach, P; Steinberg, P; Stekl, I; Stelzer, B; Stelzer, H J; 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.

Physical and Relativistic Numerical Cosmology.

PubMed

Anninos, Peter

1998-01-01

In order to account for the observable Universe, any comprehensive theory or model of cosmology must draw from many disciplines of physics, including gauge theories of strong and weak interactions, the hydrodynamics and microphysics of baryonic matter, electromagnetic fields, and spacetime curvature, for example. Although it is difficult to incorporate all these physical elements into a single complete model of our Universe, advances in computing methods and technologies have contributed significantly towards our understanding of cosmological models, the Universe, and astrophysical processes within them. A sample of numerical calculations addressing specific issues in cosmology are reviewed in this article: from the Big Bang singularity dynamics to the fundamental interactions of gravitational waves; from the quark-hadron phase transition to the large scale structure of the Universe. The emphasis, although not exclusively, is on those calculations designed to test different models of cosmology against the observed Universe.

Radiogenic and muon-induced backgrounds in the LUX dark matter detector

NASA Astrophysics Data System (ADS)

Akerib, D. S.; Araújo, H. M.; Bai, X.; Bailey, A. J.; Balajthy, J.; Bernard, E.; Bernstein, A.; Bradley, A.; Byram, D.; Cahn, S. B.; Carmona-Benitez, M. C.; Chan, C.; Chapman, J. J.; Chiller, A. A.; Chiller, C.; Coffey, T.; Currie, A.; de Viveiros, L.; Dobi, A.; Dobson, J.; Druszkiewicz, E.; Edwards, B.; Faham, C. H.; Fiorucci, S.; Flores, C.; Gaitskell, R. J.; Gehman, V. M.; Ghag, C.; Gibson, K. R.; Gilchriese, M. G. D.; Hall, C.; Hertel, S. A.; Horn, M.; Huang, D. Q.; Ihm, M.; Jacobsen, R. G.; Kazkaz, K.; Knoche, R.; Larsen, N. A.; Lee, C.; Lindote, A.; Lopes, M. I.; Malling, D. C.; Mannino, R.; McKinsey, D. N.; Mei, D.-M.; Mock, J.; Moongweluwan, M.; Morad, J.; Murphy, A. St. J.; Nehrkorn, C.; Nelson, H.; Neves, F.; Ott, R. A.; Pangilinan, M.; Parker, P. D.; Pease, E. K.; Pech, K.; Phelps, P.; Reichhart, L.; Shutt, T.; Silva, C.; Solovov, V. N.; Sorensen, P.; O'Sullivan, K.; Sumner, T. J.; Szydagis, M.; Taylor, D.; Tennyson, B.; Tiedt, D. R.; Tripathi, M.; Uvarov, S.; Verbus, J. R.; Walsh, N.; Webb, R.; White, J. T.; Witherell, M. S.; Wolfs, F. L. H.; Woods, M.; Zhang, C.

2015-03-01

The Large Underground Xenon (LUX) dark matter experiment aims to detect rare low-energy interactions from Weakly Interacting Massive Particles (WIMPs). The radiogenic backgrounds in the LUX detector have been measured and compared with Monte Carlo simulation. Measurements of LUX high-energy data have provided direct constraints on all background sources contributing to the background model. The expected background rate from the background model for the 85.3 day WIMP search run is (2.6 ±0.2stat ±0.4sys) ×10-3 events keVee-1 kg-1day-1 in a 118 kg fiducial volume. The observed background rate is (3.6 ±0.4stat) ×10-3 events keVee-1 kg-1day-1 , consistent with model projections. The expectation for the radiogenic background in a subsequent one-year run is presented.

Components and context: exploring sources of reading difficulties for language minority learners and native English speakers in urban schools.

PubMed

Kieffer, Michael J; Vukovic, Rose K

2012-01-01

Drawing on the cognitive and ecological domains within the componential model of reading, this longitudinal study explores heterogeneity in the sources of reading difficulties for language minority learners and native English speakers in urban schools. Students (N = 150) were followed from first through third grade and assessed annually on standardized English language and reading measures. Structural equation modeling was used to investigate the relative contributions of code-related and linguistic comprehension skills in first and second grade to third grade reading comprehension. Linguistic comprehension and the interaction between linguistic comprehension and code-related skills each explained substantial variation in reading comprehension. Among students with low reading comprehension, more than 80% demonstrated weaknesses in linguistic comprehension alone, whereas approximately 15% demonstrated weaknesses in both linguistic comprehension and code-related skills. Results were remarkably similar for the language minority learners and native English speakers, suggesting the importance of their shared socioeconomic backgrounds and schooling contexts.

Numerical simulation of a device with two spin crossover complexes: application for temperature and pressure sensors

NASA Astrophysics Data System (ADS)

Linares, Jorge; Eddine Allal, Salah; Dahoo, Pierre Richard; Garcia, Yann

2017-12-01

The spin-crossover (SCO) phenomenon is related to the ability of a transition metal to change its spin state vs. a given perturbation. For an iron(II) SCO complexes the reversible changes involve the diamagnetic low-spin (S = 0) and the paramagnetic high-spin (HS S = 2) states [1,2,3]. In this contribution we simulate the HS Fraction (nHS) for different set values of temperature and pressure for a device using two SCO complexes with weak elastic interactions. We improve the calculation given by Linares et al. [4], taking also into account different volume (VHS, VLS) changes of the SCO. We perform all the calculation in the frame work of an Ising-like model solved in the mean-field approximation. The two SCO show in the case of “weak elastic interactions”, gradual spin transitions such that both temperature and pressure values can be obtained from the optical observation in the light of calculations discussed in this article.

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

Gene-environment studies: any advantage over environmental studies?

PubMed

Bermejo, Justo Lorenzo; Hemminki, Kari

2007-07-01

Gene-environment studies have been motivated by the likely existence of prevalent low-risk genes that interact with common environmental exposures. The present study assessed the statistical advantage of the simultaneous consideration of genes and environment to investigate the effect of environmental risk factors on disease. In particular, we contemplated the possibility that several genes modulate the environmental effect. Environmental exposures, genotypes and phenotypes were simulated according to a wide range of parameter settings. Different models of gene-gene-environment interaction were considered. For each parameter combination, we estimated the probability of detecting the main environmental effect, the power to identify the gene-environment interaction and the frequency of environmentally affected individuals at which environmental and gene-environment studies show the same statistical power. The proportion of cases in the population attributable to the modeled risk factors was also calculated. Our data indicate that environmental exposures with weak effects may account for a significant proportion of the population prevalence of the disease. A general result was that, if the environmental effect was restricted to rare genotypes, the power to detect the gene-environment interaction was higher than the power to identify the main environmental effect. In other words, when few individuals contribute to the overall environmental effect, individual contributions are large and result in easily identifiable gene-environment interactions. Moreover, when multiple genes interacted with the environment, the statistical benefit of gene-environment studies was limited to those studies that included major contributors to the gene-environment interaction. The advantage of gene-environment over plain environmental studies also depends on the inheritance mode of the involved genes, on the study design and, to some extend, on the disease prevalence.

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.

Aviation Security: Weaknesses in Airport Security and Options for Assigning Screening Responsibilities

DTIC Science & Technology

2001-09-21

actually occurred or which of the weaknesses in the nations aviation security apparatus contributed to the horrendous events of last week, it is...clear that serious weaknesses exist in our aviation security system and that their impact can be far more devastating than previously imagined.

A Measurement of the Parity-Violating Asymmetry in Aluminum and its Contribution to a Measurement of the Proton's Weak Charge

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

Magee, Joshua Allen

2016-05-01

The Q_weak experiment, which ran at the Thomas Jefferson National Accelerator Facility, made a precision measurement of the proton's weak charge, Q^p_W. The weak charge is extracted via a measurement of the parity-violating asymmetry in elastic electron-proton scattering from hydrogen at low momentum transfer (Q^2=0.025 GeV^2). This result is directly related to the electroweak mixing angle, sin^2(Theta_W), a fundamental parameter in the Standard Model of particle physics. This provides a precision test sensitive to new, as yet unknown, fundamental physics. This dissertation focuses on two central corrections to the Q_weak measurement: the target window contribution and sub-percent determination of themore » electron beam polarization. The aluminum target windows contribute approximately 30% of the measured asymmetry. Removal of this background requires precise measurements of both the elastic electron-aluminum scattering rate and its parity-violating asymmetry. The results reported here are the most precise measurement of the Q_weak target dilution and asymmetry to date. The parity-violating asymmetry for the aluminum alloy was found to be 1.6174 +/- 0.0704 (stat.) +/- 0.0113 (sys.) parts-per-million. The first sub-percent precision polarization measurements made from the Hall C Moller polarimeter are also reported, with systematic uncertainties of 0.84%.« less

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.

Weak interactions and cooperativity effects on disiloxane: a look at the building block of silicones

NASA Astrophysics Data System (ADS)

Martín-Fernández, Carlos; Montero-Campillo, M. Merced; Alkorta, Ibon; Elguero, José

2018-06-01

The behaviour of disiloxane 1 towards a set of Lewis acids (LA) and Lewis bases (LB) forming complexes through its oxygen and silicon atoms, respectively, was studied at the MP2/aug‧-cc-pVTZ level of theory, exploring a wide variety of non-covalent interactions. Disiloxane is a moderate electron acceptor and a good electron donor, exhibiting in the latter case binding energies up to almost -100 kJ/mol with BeCl2. Cooperativity effects were also analysed by looking at ternary 1:LA:LB complexes. Shorter intermolecular distances than in the corresponding binary complexes and a negative contribution of the three-body term to the binding energy indicate that the non-covalent interactions allowed by disiloxane through its acid and basic centres cooperate between them to reinforce both donor-acceptor pairs. These effects are particularly strong in complexes involving beryllium and triel bonds, but are also relevant for complexes containing hydrogen bonds.

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

Thermodynamic Basis of Selectivity in the Interactions of Tissue Inhibitors of Metalloproteinases N-domains with Matrix Metalloproteinases-1, -3, and -14.

PubMed

Zou, Haiyin; Wu, Ying; Brew, Keith

2016-05-20

The four tissue inhibitors of metalloproteinases (TIMPs) are potent inhibitors of the many matrixins (MMPs), except that TIMP1 weakly inhibits some MMPs, including MMP14. The broad-spectrum inhibition of MMPs by TIMPs and their N-domains (NTIMPs) is consistent with the previous isothermal titration calorimetric finding that their interactions are entropy-driven but differ in contributions from solvent and conformational entropy (ΔSsolv, ΔSconf), estimated using heat capacity changes (ΔCp). Selective engineered NTIMPs have potential applications for treating MMP-related diseases, including cancer and cardiomyopathy. Here we report isothermal titration calorimetric studies of the effects of selectivity-modifying mutations in NTIMP1 and NTIMP2 on the thermodynamics of their interactions with MMP1, MMP3, and MMP14. The weak inhibition of MMP14 by NTIMP1 reflects a large conformational entropy penalty for binding. The T98L mutation, peripheral to the NTIMP1 reactive site, enhances binding by increasing ΔSsolv but also reduces ΔSconf However, the same mutation increases NTIMP1 binding to MMP3 in an interaction that has an unusual positive ΔCp This indicates a decrease in solvent entropy compensated by increased conformational entropy, possibly reflecting interactions involving alternative conformers. The NTIMP2 mutant, S2D/S4A is a selective MMP1 inhibitor through electrostatic effects of a unique MMP-1 arginine. Asp-2 increases reactive site polarity, reducing ΔCp, but increases conformational entropy to maintain strong binding to MMP1. There is a strong negative correlation between ΔSsolv and ΔSconf for all characterized interactions, but the data for each MMP have characteristic ranges, reflecting intrinsic differences in the structures and dynamics of their free and inhibitor-bound forms. © 2016 by The American Society for Biochemistry and Molecular Biology, Inc.

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)

Positronium formation studies in crystalline molecular complexes: Triphenylphosphine oxide - Acetanilide

NASA Astrophysics Data System (ADS)

Oliveira, F. C.; Denadai, A. M. L.; Guerra, L. D. L.; Fulgêncio, F. H.; Windmöller, D.; Santos, G. C.; Fernandes, N. G.; Yoshida, M. I.; Donnici, C. L.; Magalhães, W. F.; Machado, J. C.

2013-04-01

Hydrogen bond formation in the triphenylphosphine oxide (TPPO), acetanilide (ACN) supramolecular heterosynton system, named [TPPO0.5·ACN0.5], has been studied by Positron Annihilation Lifetime Spectroscopy (PALS) and supported by several analytical techniques. In toluene solution, Isothermal Titration Calorimetry (ITC) presented a 1:1 stoichiometry and indicated that the complexation process is driven by entropy, with low enthalpy contribution. X-ray structure determination showed the existence of a three-dimensional network of hydrogen bonds, allowing also the confirmation of the existence of a 1:1 crystalline molecular complex in solid state. The results of thermal analysis (TGA, DTA and DSC) and FTIR spectroscopy showed that the interactions in the complex are relatively weaker than those found in pure precursors, leading to a higher positronium formation probability at [TPPO0.5·ACN0.5]. These weak interactions in the complex enhance the possibility of the n- and π-electrons to interact with positrons and consequently, the probability of positronium formation is higher. Through the present work is shown that PALS is a sensible powerful tool to investigate intermolecular interactions in solid heterosynton supramolecular systems.

Effect of spin-orbit interactions on the structural stability, thermodynamic properties, and transport properties of lead under pressure

NASA Astrophysics Data System (ADS)

Smirnov, N. A.

2018-03-01

The paper investigates the role of spin-orbit interaction in the prediction of structural stability, lattice dynamics, elasticity, thermodynamic and transport properties (electrical resistivity and thermal conductivity) of lead under pressure with the FP-LMTO (full-potential linear-muffin-tin orbital) method for the first-principles band structure calculations. Our calculations were carried out for three polymorphous lead modifications (fcc, hcp, and bcc) in generalized gradient approximation with the exchange-correlation functional PBEsol. They suggest that compared to the scalar-relativistic calculation, the account for the SO effects insignificantly influences the compressibility of Pb. At the same time, in the calculation of phonon spectra and transport properties, the role of SO interaction is important, at least, for P ≲150 GPa. At higher pressures, the contribution from SO interaction reduces but not vanishes. As for the relative structural stability, our studies show that SO effects influence weakly the pressure of the fcc →hcp transition and much higher the pressure of the hcp →bcc transition.

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.

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

Compton Scattering Polarimetry for the Determination of the Proton's Weak Charge Through Measurements of the Parity-Violating Asymmetry of 1H(e,e')p

NASA Astrophysics Data System (ADS)

Cornejo, Juan Carlos

The Standard Model has been a theory with the greatest success in describing the fundamental interactions of particles. As of the writing of this dissertation, the Standard Model has not been shown to make a false prediction. However, the limitations of the Standard Model have long been suspected by its lack of a description of gravity, nor dark matter. Its largest challenge to date, has been the observation of neutrino oscillations, and the implication that they may not be massless, as required by the Standard Model. The growing consensus is that the Standard Model is simply a lower energy effective field theory, and that new physics lies at much higher energies. The Qweak Experiment is testing the Electroweak theory of the Standard Model by making a precise determination of the weak charge of the proton (Qpw). Any signs of "new physics" will appear as a deviation to the Standard Model prediction. The weak charge is determined via a precise measurement of the parity-violating asymmetry of the electron-proton interaction via elastic scattering of a longitudinally polarized electron beam of an un-polarized proton target. The experiment required that the electron beam polarization be measured to an absolute uncertainty of 1 %. At this level the electron beam polarization was projected to contribute the single largest experimental uncertainty to the parity-violating asymmetry measurement. This dissertation will detail the use of Compton scattering to determine the electron beam polarization via the detection of the scattered photon. I will conclude the remainder of the dissertation with an independent analysis of the blinded Qweak.

A Chandra Survey of Milky Way Globular Clusters. I. Emissivity and Abundance of Weak X-Ray Sources

NASA Astrophysics Data System (ADS)

Cheng, Zhongqun; Li, Zhiyuan; Xu, Xiaojie; Li, Xiangdong

2018-05-01

Based on archival Chandra data, we have carried out an X-ray survey of 69, or nearly half the known population of, Milky Way globular clusters (GCs), focusing on weak X-ray sources, mainly cataclysmic variables (CVs) and coronally active binaries (ABs). Using the cumulative X-ray luminosity per unit stellar mass (i.e., X-ray emissivity) as a proxy of the source abundance, we demonstrate a paucity (lower by 41% ± 27% on average) of weak X-ray sources in most GCs relative to the field, which is represented by the Solar Neighborhood and Local Group dwarf elliptical galaxies. We also revisit the mutual correlations among the cumulative X-ray luminosity (L X), cluster mass (M), and stellar encounter rate (Γ), finding {L}{{X}}\\propto {M}0.74+/- 0.13, {L}{{X}}\\propto {{{Γ }}}0.67+/- 0.07 and {{Γ }}\\propto {M}1.28+/- 0.17. The three quantities can further be expressed as {L}{{X}}\\propto {M}0.64+/- 0.12 {{{Γ }}}0.19+/- 0.07, which indicates that the dynamical formation of CVs and ABs through stellar encounters in GCs is less dominant than previously suggested, and that the primordial formation channel has a substantial contribution. Taking these aspects together, we suggest that a large fraction of primordial, soft binaries have been disrupted in binary–single or binary–binary stellar interactions before they could otherwise evolve into X-ray-emitting close binaries, whereas the same interactions also have led to the formation of new close binaries. No significant correlations between {L}{{X}}/{L}K and cluster properties, including dynamical age, metallicity, and structural parameters, are found.

On the contributions of diffusion and thermal activation to electron transfer between Phormidium laminosum plastocyanin and cytochrome f: Brownian dynamics simulations with explicit modeling of nonpolar desolvation interactions and electron transfer events.

PubMed

Gabdoulline, Razif R; Wade, Rebecca C

2009-07-08

The factors that determine the extent to which diffusion and thermal activation processes govern electron transfer (ET) between proteins are debated. The process of ET between plastocyanin (PC) and cytochrome f (CytF) from the cyanobacterium Phormidium laminosum was initially thought to be diffusion-controlled but later was found to be under activation control (Schlarb-Ridley, B. G.; et al. Biochemistry 2005, 44, 6232). Here we describe Brownian dynamics simulations of the diffusional association of PC and CytF, from which ET rates were computed using a detailed model of ET events that was applied to all of the generated protein configurations. The proteins were modeled as rigid bodies represented in atomic detail. In addition to electrostatic forces, which were modeled as in our previous simulations of protein-protein association, the proteins interacted by a nonpolar desolvation (hydrophobic) force whose derivation is described here. The simulations yielded close to realistic residence times of transient protein-protein encounter complexes of up to tens of microseconds. The activation barrier for individual ET events derived from the simulations was positive. Whereas the electrostatic interactions between P. laminosum PC and CytF are weak, simulations for a second cyanobacterial PC-CytF pair, that from Nostoc sp. PCC 7119, revealed ET rates influenced by stronger electrostatic interactions. In both cases, the simulations imply significant contributions to ET from both diffusion and thermal activation processes.

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

PubMed

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

2005-09-01

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

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

Effective interactions in a quantum Bose-Bose mixture

NASA Astrophysics Data System (ADS)

Utesov, O. I.; Baglay, M. I.; Andreev, S. V.

2018-05-01

We generalize the Beliaev diagrammatic theory of an interacting spinless Bose-Einstein condensate to the case of a binary mixture. We derive a set of coupled Dyson equations and find analytically the Green's functions of the system. The elementary excitation spectrum consists of two branches, one of which takes the characteristic parabolic form ω ∝p2 in the limit of a spin-independent interaction. We observe renormalization of the magnon mass and the spin-wave velocity due to the Andreev-Bashkin entrainment effect. For a three-dimensional weakly interacting gas the spectrum can be obtained by applying the Bogoliubov transformation to a second-quantized Hamiltonian in which the microscopic two-body potentials in each channel are replaced by the corresponding off-shell scattering amplitudes. The superfluid drag density can be calculated by considering a mixture of phonons and magnons interacting via the effective potentials. We show that this problem is identical to the second-order perturbative treatment of a Bose polaron. In two dimensions the drag contributes to the magnon dispersion already in the first approximation. Our consideration provides a basis for systematic study of emergent phases in quantum degenerate Bose-Bose mixtures.

The bee, the flower, and the electric field: electric ecology and aerial electroreception.

PubMed

Clarke, Dominic; Morley, Erica; Robert, Daniel

2017-09-01

Bees and flowering plants have a long-standing and remarkable co-evolutionary history. Flowers and bees evolved traits that enable pollination, a process that is as important to plants as it is for pollinating insects. From the sensory ecological viewpoint, bee-flower interactions rely on senses such as vision, olfaction, humidity sensing, and touch. Recently, another sensory modality has been unveiled; the detection of the weak electrostatic field that arises between a flower and a bee. Here, we present our latest understanding of how these electric interactions arise and how they contribute to pollination and electroreception. Finite-element modelling and experimental evidence offer new insights into how these interactions are organised and how they can be further studied. Focussing on pollen transfer, we deconstruct some of the salient features of the three ingredients that enable electrostatic interactions, namely the atmospheric electric field, the capacity of bees to accumulate positive charge, and the propensity of plants to be relatively negatively charged. This article also aims at highlighting areas in need of further investigation, where more research is required to better understand the mechanisms of electrostatic interactions and aerial electroreception.

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

PubMed

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

2008-04-01

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

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

PubMed

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

2016-12-15

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

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.

Unifying measures of gene function and evolution.

PubMed

Wolf, Yuri I; Carmel, Liran; Koonin, Eugene V

2006-06-22

Recent genome analyses revealed intriguing correlations between variables characterizing the functioning of a gene, such as expression level (EL), connectivity of genetic and protein-protein interaction networks, and knockout effect, and variables describing gene evolution, such as sequence evolution rate (ER) and propensity for gene loss. Typically, variables within each of these classes are positively correlated, e.g. products of highly expressed genes also have a propensity to be involved in many protein-protein interactions, whereas variables between classes are negatively correlated, e.g. highly expressed genes, on average, evolve slower than weakly expressed genes. Here, we describe principal component (PC) analysis of seven genome-related variables and propose biological interpretations for the first three PCs. The first PC reflects a gene's 'importance', or the 'status' of a gene in the genomic community, with positive contributions from knockout lethality, EL, number of protein-protein interaction partners and the number of paralogues, and negative contributions from sequence ER and gene loss propensity. The next two PCs define a plane that seems to reflect the functional and evolutionary plasticity of a gene. Specifically, PC2 can be interpreted as a gene's 'adaptability' whereby genes with high adaptability readily duplicate, have many genetic interaction partners and tend to be non-essential. PC3 also might reflect the role of a gene in organismal adaptation albeit with a negative rather than a positive contribution of genetic interactions; we provisionally designate this PC 'reactivity'. The interpretation of PC2 and PC3 as measures of a gene's plasticity is compatible with the observation that genes with high values of these PCs tend to be expressed in a condition- or tissue-specific manner. Functional classes of genes substantially vary in status, adaptability and reactivity, with the highest status characteristic of the translation system and cytoskeletal proteins, highest adaptability seen in cellular processes and signalling genes, and top reactivity characteristic of metabolic enzymes.

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.

Role of investment heterogeneity in the cooperation on spatial public goods game.

PubMed

Yuan, Wu-Jie; Xia, Cheng-Yi

2014-01-01

Public cooperation plays a significant role in the survival and maintenance of biological species, to elucidate its origin thus becomes an interesting question from various disciplines. Through long-term development, the public goods game has proven to be a useful tool, where cooperator making contribution can beat again the free-rides. Differentiating from the traditional homogeneous investment, individual trend of making contribution is more likely affected by the investment level of his neighborhood. Based on this fact, we here investigate the impact of heterogeneous investment on public cooperation, where the investment sum is mapped to the proportion of cooperators determined by parameter α. Interestingly, we find, irrespective of interaction networks, that the increment of α (increment of heterogeneous investment) is beneficial for promoting cooperation and even guarantees the complete cooperation dominance under weak replication factor. While this promotion effect can be attributed to the formation of more robust cooperator clusters and shortening END period. Moreover, we find that this simple mechanism can change the potential interaction network, which results in the change of phase diagrams. We hope that our work may shed light on the understanding of the cooperative behavior in other social dilemmas.

Weak signal detection: A discrete window of opportunity for achieving 'Vision 90:90:90'?

PubMed

Burman, Christopher J; Aphane, Marota; Delobelle, Peter

2016-01-01

UNAIDS' Vision 90:90:90 is a call to 'end AIDS'. Developing predictive foresight of the unpredictable changes that this journey will entail could contribute to the ambition of 'ending AIDS'. There are few opportunities for managing unpredictable changes. We introduce 'weak signal detection' as a potential opportunity to fill this void. Combining futures and complexity theory, we reflect on two pilot case studies that involved the Archetype Extraction technique and the SenseMaker(®) Collector(™) tool. Both the piloted techniques have the potentials to surface weak signals--but there is room for improvement. A management response to a complex weak signal requires pattern management, rather than an exclusive focus on behaviour management. Weak signal detection is a window of opportunity to improve resilience to unpredictable changes in the HIV/AIDS landscape that can both reduce the risk that emerges from the changes and increase the visibility of opportunities to exploit the unpredictable changes that could contribute to 'ending AIDS'.

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.

Structural Evolutions of STOCK Markets Controlled by Generalized Entropy Principles of Complex Systems

NASA Astrophysics Data System (ADS)

Wang, Yi Jiao; Feng, Qing Yi; Chai, Li He

As one of the most important financial markets and one of the main parts of economic system, the stock market has become the research focus in economics. The stock market is a typical complex open system far from equilibrium. Many available models that make huge contribution to researches on market are strong in describing the market however, ignoring strong nonlinear interactions among active agents and weak in reveal underlying dynamic mechanisms of structural evolutions of market. From econophysical perspectives, this paper analyzes the complex interactions among agents and defines the generalized entropy in stock markets. Nonlinear evolutionary dynamic equation for the stock markets is then derived from Maximum Generalized Entropy Principle. Simulations are accordingly conducted for a typical case with the given data, by which the structural evolution of the stock market system is demonstrated. Some discussions and implications are finally provided.

Relative contributions of protection motivation theory components in predicting exercise intentions and behavior.

PubMed

Wurtele, S K; Maddux, J E

1987-01-01

A factorial design was employed to test the relative effectiveness of the four cognitive appraisal processes (severity, vulnerability, response efficacy, and self-efficacy) contained in the revised protection motivation theory (PMT). One hundred sixty undergraduate women read persuasive appeals for increasing exercise, which varied on these four dimensions. As predicted, both the vulnerability and self-efficacy variables enhanced intentions to exercise along with similar effects on self-reported exercising. Intentions were predictive of self-reported changes in behavior. The obtained interaction between vulnerability, self-efficacy, and response efficacy suggests that individuals employed a "precaution strategy": They intended to adopt the recommended behavior even though they held weak beliefs about its effectiveness and were not convinced of their at-risk status. These findings are compared to others obtained using the PMT, and the issue of main and interactive effects produced by the model is also addressed.

Computational Cosmology: From the Early Universe to the Large Scale Structure.

PubMed

Anninos, Peter

2001-01-01

In order to account for the observable Universe, any comprehensive theory or model of cosmology must draw from many disciplines of physics, including gauge theories of strong and weak interactions, the hydrodynamics and microphysics of baryonic matter, electromagnetic fields, and spacetime curvature, for example. Although it is difficult to incorporate all these physical elements into a single complete model of our Universe, advances in computing methods and technologies have contributed significantly towards our understanding of cosmological models, the Universe, and astrophysical processes within them. A sample of numerical calculations (and numerical methods applied to specific issues in cosmology are reviewed in this article: from the Big Bang singularity dynamics to the fundamental interactions of gravitational waves; from the quark-hadron phase transition to the large scale structure of the Universe. The emphasis, although not exclusively, is on those calculations designed to test different models of cosmology against the observed Universe.

Computational Cosmology: from the Early Universe to the Large Scale Structure.

PubMed

Anninos, Peter

1998-01-01

In order to account for the observable Universe, any comprehensive theory or model of cosmology must draw from many disciplines of physics, including gauge theories of strong and weak interactions, the hydrodynamics and microphysics of baryonic matter, electromagnetic fields, and spacetime curvature, for example. Although it is difficult to incorporate all these physical elements into a single complete model of our Universe, advances in computing methods and technologies have contributed significantly towards our understanding of cosmological models, the Universe, and astrophysical processes within them. A sample of numerical calculations addressing specific issues in cosmology are reviewed in this article: from the Big Bang singularity dynamics to the fundamental interactions of gravitational waves; from the quark-hadron phase transition to the large scale structure of the Universe. The emphasis, although not exclusively, is on those calculations designed to test different models of cosmology against the observed Universe.

Muscle-Bone Interactions in Pediatric Bone Diseases.

PubMed

Veilleux, Louis-Nicolas; Rauch, Frank

2017-10-01

Here, we review the skeletal effects of pediatric muscle disorders as well as muscle impairment in pediatric bone disorders. When starting in utero, muscle disorders can lead to congenital multiple contractures. Pediatric-onset muscle weakness such as cerebral palsy, Duchenne muscular dystrophy, spinal muscular atrophy, or spina bifida typically are associated with small diameter of long-bone shafts, low density of metaphyseal bone, and increased fracture incidence in the lower extremities, in particular, the distal femur. Primary bone diseases can affect muscles through generic mechanisms, such as decreased physical activity or in disease-specific ways. For example, the collagen defect underlying the bone fragility of osteogenesis imperfecta may also affect muscle force generation or transmission. Transforming growth factor beta released from bone in Camurati Engelman disease may decrease muscle function. Considering muscle-bone interactions does not only contribute to the understanding of musculoskeletal disorders but also can identify new targets for therapeutic interventions.

High-resolution mapping reveals hundreds of genetic incompatibilities in hybridizing fish species.

PubMed

Schumer, Molly; Cui, Rongfeng; Powell, Daniel L; Dresner, Rebecca; Rosenthal, Gil G; Andolfatto, Peter

2014-06-04

Hybridization is increasingly being recognized as a common process in both animal and plant species. Negative epistatic interactions between genes from different parental genomes decrease the fitness of hybrids and can limit gene flow between species. However, little is known about the number and genome-wide distribution of genetic incompatibilities separating species. To detect interacting genes, we perform a high-resolution genome scan for linkage disequilibrium between unlinked genomic regions in naturally occurring hybrid populations of swordtail fish. We estimate that hundreds of pairs of genomic regions contribute to reproductive isolation between these species, despite them being recently diverged. Many of these incompatibilities are likely the result of natural or sexual selection on hybrids, since intrinsic isolation is known to be weak. Patterns of genomic divergence at these regions imply that genetic incompatibilities play a significant role in limiting gene flow even in young species.

Defect controlled magnetism in FeP/graphene/Ni(111)

PubMed Central

Bhandary, Sumanta; Eriksson, Olle; Sanyal, Biplab

2013-01-01

Spin switching of organometallic complexes by ferromagnetic surfaces is an important topic in the area of molecular nanospintronics. Moreover, graphene has been shown as a 2D surface for physisorption of molecular magnets and strain engineering on graphene can tune the spin state of an iron porphyrin (FeP) molecule from S = 1 to S = 2. Our ab initio density functional calculations suggest that a pristine graphene layer placed between a Ni(111) surface and FeP yields an extremely weak exchange interaction between FeP and Ni whereas the introduction of defects in graphene shows a variety of ferromagnetic and antiferromagnetic exchange interactions. Moreover, these defects control the easy axes of magnetization, strengths of magnetic anisotropy energies and spin-dipolar contributions. Our study suggests a new way of manipulating molecular magnetism by defects in graphene and hence has the potential to be explored in designing spin qubits to realize logic operations in molecular nanospintronics. PMID:24296980

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

Strangeness at high temperatures: from hadrons to quarks.

PubMed

Bazavov, A; Ding, H-T; Hegde, P; Kaczmarek, O; Karsch, F; Laermann, E; Maezawa, Y; Mukherjee, Swagato; Ohno, H; Petreczky, P; Schmidt, C; Sharma, S; Soeldner, W; Wagner, M

2013-08-23

Appropriate combinations of up to fourth order cumulants of net strangeness fluctuations and their correlations with net baryon number and electric charge fluctuations, obtained from lattice QCD calculations, have been used to probe the strangeness carrying degrees of freedom at high temperatures. For temperatures up to the chiral crossover, separate contributions of strange mesons and baryons can be well described by an uncorrelated gas of hadrons. Such a description breaks down in the chiral crossover region, suggesting that the deconfinement of strangeness takes place at the chiral crossover. On the other hand, the strangeness carrying degrees of freedom inside the quark gluon plasma can be described by a weakly interacting gas of quarks only for temperatures larger than twice the chiral crossover temperature. In the intermediate temperature window, these observables show considerably richer structures, indicative of the strongly interacting nature of the quark gluon plasma.

On thermal corrections to near-threshold annihilation

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

Kim, Seyong; Laine, M., E-mail: skim@sejong.ac.kr, E-mail: laine@itp.unibe.ch

2017-01-01

We consider non-relativistic ''dark'' particles interacting through gauge boson exchange. At finite temperature, gauge exchange is modified in many ways: virtual corrections lead to Debye screening; real corrections amount to frequent scatterings of the heavy particles on light plasma constituents; mixing angles change. In a certain temperature and energy range, these effects are of order unity. Taking them into account in a resummed form, we estimate the near-threshold spectrum of kinetically equilibrated annihilating TeV scale particles. Weakly bound states are shown to 'melt' below freeze-out, whereas with attractive strong interactions, relevant e.g. for gluinos, bound states boost the annihilation ratemore » by a factor 4 ... 80 with respect to the Sommerfeld estimate, thereby perhaps helping to avoid overclosure of the universe. Modestly non-degenerate dark sector masses and a way to combine the contributions of channels with different gauge and spin structures are also discussed.« less

Large Deviations in Weakly Interacting Boundary Driven Lattice Gases

NASA Astrophysics Data System (ADS)

van Wijland, Frédéric; Rácz, Zoltán

2005-01-01

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

CP Violation, Neutral Currents, and Weak Equivalence

DOE R&D Accomplishments Database

Fitch, V. L.

1972-03-23

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

Pharmacokinetic Drug Interactions with Panax ginseng.

PubMed

Ramanathan, Meenakshi R; Penzak, Scott R

2017-08-01

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

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.

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.

Interactive Book Reading to Accelerate Word Learning by Kindergarten Children With Specific Language Impairment: Identifying Adequate Progress and Successful Learning Patterns

PubMed Central

Komesidou, Rouzana; Fleming, Kandace K.; Romine, Rebecca Swinburne

2017-01-01

Purpose The goal of this study was to provide guidance to clinicians on early benchmarks of successful word learning in an interactive book reading treatment and to examine how encoding and memory evolution during treatment contribute to word learning outcomes by kindergarten children with specific language impairment (SLI). Method Twenty-seven kindergarten children with SLI participated in a preliminary clinical trial using interactive book reading to teach 30 new words. Word learning was assessed at 4 points during treatment through a picture naming test. Results The results indicate that the following performance during treatment was cause for concern, indicating a need to modify the treatment: naming 0–1 treated words correctly at Naming Test 1; naming 0–2 treated words correctly at Naming Test 2; naming 0–3 treated words correctly at Naming Test 3. In addition, the results showed that encoding was the primary limiting factor in word learning, but rmemory evolution also contributed (albeit to a lesser degree) to word learning success. Conclusion Case illustrations demonstrate how a clinician's understanding of a child's word learning strengths and weaknesses develop over the course of treatment, substantiating the importance of regular data collection and clinical decision-making to ensure the best possible outcomes for each individual child. PMID:28419188

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.

Highly specific salt bridges govern bacteriophage P22 icosahedral capsid assembly: identification of the site in coat protein responsible for interaction with scaffolding protein.

PubMed

Cortines, Juliana R; Motwani, Tina; Vyas, Aashay A; Teschke, Carolyn M

2014-05-01

Icosahedral virus assembly requires a series of concerted and highly specific protein-protein interactions to produce a proper capsid. In bacteriophage P22, only coat protein (gp5) and scaffolding protein (gp8) are needed to assemble a procapsid-like particle, both in vivo and in vitro. In scaffolding protein's coat binding domain, residue R293 is required for procapsid assembly, while residue K296 is important but not essential. Here, we investigate the interaction of scaffolding protein with acidic residues in the N-arm of coat protein, since this interaction has been shown to be electrostatic. Through site-directed mutagenesis of genes 5 and 8, we show that changing coat protein N-arm residue 14 from aspartic acid to alanine causes a lethal phenotype. Coat protein residue D14 is shown by cross-linking to interact with scaffolding protein residue R293 and, thus, is intimately involved in proper procapsid assembly. To a lesser extent, coat protein N-arm residue E18 is also implicated in the interaction with scaffolding protein and is involved in capsid size determination, since a cysteine mutation at this site generated petite capsids. The final acidic residue in the N-arm that was tested, E15, is shown to only weakly interact with scaffolding protein's coat binding domain. This work supports growing evidence that surface charge density may be the driving force of virus capsid protein interactions. Bacteriophage P22 infects Salmonella enterica serovar Typhimurium and is a model for icosahedral viral capsid assembly. In this system, coat protein interacts with an internal scaffolding protein, triggering the assembly of an intermediate called a procapsid. Previously, we determined that there is a single amino acid in scaffolding protein required for P22 procapsid assembly, although others modulate affinity. Here, we identify partners in coat protein. We show experimentally that relatively weak interactions between coat and scaffolding proteins are capable of driving correctly shaped and sized procapsids and that the lack of these proper protein-protein interfaces leads to aberrant structures. The present work represents an important contribution supporting the hypothesis that virus capsid assembly is governed by seemingly simple interactions. The highly specific nature of the subunit interfaces suggests that these could be good targets for antivirals.

The footprints of Saharan Air Layer and lightning on the formation of tropical depressions over the eastern Atlantic Ocean

NASA Astrophysics Data System (ADS)

Centeno Delgado, Diana C.

In this study, the results of an observational analysis and a numerical analysis on the role of the Saharan Air Layer during tropical cyclogenesis (TC-genesis) are described. The observational analysis investigates the interaction of dust particles and lightning during the genesis stage of two developed cases (Hurricanes Helene 2006 and Julia 2010). The Weather Research and Forecasting (WRF) and WRF-Chemistry models were used to include and monitor the aerosols and chemical processes that affect TC-genesis. The numerical modeling involved two developed cases (Hurricanes Helene 2006 and Julia 2010) and two non-developed cases (Non-Developed 2011 and Non-Developed 2012). The Aerosol Optical Depth (AOD) and lightning analysis for Hurricane Helene 2006 demonstrated the time-lag connection through their positive contribution to TC-genesis. The observational analyses supported the fact that both systems developed under either strong or weak dust conditions. From the two cases, the location of strong versus weak dust outbreaks in association with lightning was essential interactions that impacted TC-genesis. Furthermore, including dust particles, chemical processes, and aerosol feedback in the simulations with WRF-CHEM provides results closer to observations than regular WRF. The model advantageously shows the location of the dust particles inside of the tropical system. Overall, the results from this study suggest that the SAL is not a determining factor that affects the formation of tropical cyclones.

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

Interaction of divalent metal ions with human translocase of inner membrane of mitochondria Tim23.

PubMed

Feng, Wei; Zhang, Yongqiang; Deng, Honghua; Li, Shu Jie

2016-06-17

The preprotein translocase of the inner membrane of mitochondria (TIM23 complex) is the main entry gate for proteins of the matrix and the inner membrane. Tim23p, the core component of TIM23 complex, forms the import pore across the inner membrane and exerts a key function in the protein import. However, the interaction of divalent metal ions with Tim23p and the contribution in the interaction of presequence peptide with Tim23p are still unknown. Herein, we investigated the interaction of divalent metal ions with the intermembrane space domain of Tim23p (Tim23IMS) and the interaction of presequence peptides with Tim23IMS in presence of Ca(2+) ion by fluorescence spectroscopy in vitro. The static fluorescence quenching indicates the existence of strong binding between divalent metal ions and Tim23IMS. The order of the binding strength is Ca(2+), Mg(2+), Cu(2+), Mn(2+), and Co(2+) (from strong to weak). Moreover, the interaction of presequence peptides with Tim23IMS is weakened in presence of Ca(2+) ion, which implicates that Ca(2+) ion may play an important role in the protein import by TIM23 complex. Copyright © 2016 Elsevier Inc. All rights reserved.

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

NASA Astrophysics Data System (ADS)

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

2001-05-01

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

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

PubMed

Freed, Karl F

2009-02-14

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

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

PubMed

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

2008-04-25

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

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

NASA Technical Reports Server (NTRS)

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

1992-01-01

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

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

PubMed

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

2014-07-16

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

Universality of emergent states in diverse physical systems

NASA Astrophysics Data System (ADS)

Guidry, Mike

2017-12-01

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

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

PubMed

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

2014-02-01

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

Nonthermal Supermassive Dark Matter

NASA Technical Reports Server (NTRS)

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

1999-01-01

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

The Scientific Publications of Richard H. Dalitz, FRS (1925-2006)

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

Aitchison, Ian J.R.; Close, Frank E.; Gal, Avraham

2006-03-29

Professor Richard H. Dalitz passed away on January 13, 2006. He was almost 81 years old and his outstanding contributions are intimately connected to some of the major breakthroughs of the 20th century in particle and nuclear physics. These outstanding contributions go beyond the Dalitz Plot, Dalitz Pair and CDD poles that bear his name. He pioneered the theoretical study of strange baryon resonances, of baryon spectroscopy in the quark model, and of hypernuclei, to all of which he made lasting contributions. His formulation of the ''{theta} - {tau} puzzle'' led to the discovery that parity is not a symmetrymore » of the weak interactions. A brief scientific evaluation of Dalitz's major contributions to particle and nuclear physics is hereby presented, followed by the first comprehensive list of his scientific publications, as assembled from several sources. The list is divided into two categories: the first, main part comprises Dalitz's research papers and reviews, including topics in the history of particle physics, biographies and reminescences; the second part lists book reviews, public lectures and obituaries authored by Dalitz, and books edited by him. This provides the first necessary step towards a more systematic research of the Dalitz heritage in modern physics.« less

Topological Hall Effect from Strong to Weak Coupling

NASA Astrophysics Data System (ADS)

Nakazawa, Kazuki; Bibes, Manuel; Kohno, Hiroshi

2018-03-01

The topological Hall effect (THE) of electrons coupled to a noncoplanar spin texture has been studied so far for the strong- and weak-coupling regimes separately; the former in terms of the Berry phase and the latter by perturbation theory. In this letter, we present a unified treatment in terms of spin gauge field by considering not only the adiabatic (Berry phase) component of the gauge field but also the nonadiabatic component. While only the adiabatic contribution is important in the strong-coupling regime, it is completely canceled by a part of the nonadiabatic contribution in the weak-coupling regime, where the THE is governed by the remaining nonadiabatic terms. We found a new weak-coupling region that cannot be accessed by a simple perturbation theory, where the Hall conductivity is proportional to M, with 2M being the exchange splitting of the electron spectrum.

The tracking analysis in the Q-weak experiment

NASA Astrophysics Data System (ADS)

Pan, J.; Androic, D.; Armstrong, D. S.; Asaturyan, A.; Averett, T.; Balewski, J.; Beaufait, J.; Beminiwattha, R. S.; Benesch, J.; Benmokhtar, F.; Birchall, J.; Carlini, R. D.; Cates, G. D.; Cornejo, J. C.; Covrig, S.; Dalton, M. M.; Davis, C. A.; Deconinck, W.; Diefenbach, J.; Dowd, J. F.; Dunne, J. A.; Dutta, D.; Duvall, W. S.; Elaasar, M.; Falk, W. R.; Finn, J. M.; Forest, T.; Gaskell, D.; Gericke, M. T. W.; Grames, J.; Gray, V. M.; Grimm, K.; Guo, F.; Hoskins, J. R.; Johnston, K.; Jones, D.; Jones, M.; Jones, R.; Kargiantoulakis, M.; King, P. M.; Korkmaz, E.; Kowalski, S.; Leacock, J.; Leckey, J.; Lee, A. R.; Lee, J. H.; Lee, L.; MacEwan, S.; Mack, D.; Magee, J. A.; Mahurin, R.; Mammei, J.; Martin, J. W.; McHugh, M. J.; Meekins, D.; Mei, J.; Michaels, R.; Micherdzinska, A.; Mkrtchyan, A.; Mkrtchyan, H.; Morgan, N.; Myers, K. E.; Narayan, A.; Ndukum, L. Z.; Nelyubin, V.; Nuruzzaman; van Oers, W. T. H.; Opper, A. K.; Page, S. A.; Pan, J.; Paschke, K. D.; Phillips, S. K.; Pitt, M. L.; Poelker, M.; Rajotte, J. F.; Ramsay, W. D.; Roche, J.; Sawatzky, B.; Seva, T.; Shabestari, M. H.; Silwal, R.; Simicevic, N.; Smith, G. R.; Solvignon, P.; Spayde, D. T.; Subedi, A.; Subedi, R.; Suleiman, R.; Tadevosyan, V.; Tobias, W. A.; Tvaskis, V.; Waidyawansa, B.; Wang, P.; Wells, S. P.; Wood, S. A.; Yang, S.; Young, R. D.; Zhamkochyan, S.

2016-12-01

The Q-weak experiment at Jefferson Laboratory measured the parity violating asymmetry ( A P V ) in elastic electron-proton scattering at small momentum transfer squared ( Q 2=0.025 ( G e V/ c)2), with the aim of extracting the proton's weak charge ({Q^p_W}) to an accuracy of 5 %. As one of the major uncertainty contribution sources to {Q^p_W}, Q 2 needs to be determined to ˜1 % so as to reach the proposed experimental precision. For this purpose, two sets of high resolution tracking chambers were employed in the experiment, to measure tracks before and after the magnetic spectrometer. Data collected by the tracking system were then reconstructed with dedicated software into individual electron trajectories for experimental kinematics determination. The Q-weak kinematics and the analysis scheme for tracking data are briefly described here. The sources that contribute to the uncertainty of Q 2 are discussed, and the current analysis status is reported.

Evaluating nuclear physics inputs in core-collapse supernova models

NASA Astrophysics Data System (ADS)

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

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

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

NASA Astrophysics Data System (ADS)

Diehl, Joscha; Gubinelli, Massimiliano; Perkowski, Nicolas

2017-09-01

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

Kelvin-wave cascade in the vortex filament model

NASA Astrophysics Data System (ADS)

Baggaley, Andrew W.; Laurie, Jason

2014-01-01

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

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

PubMed

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

2012-12-03

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

Mechanisms of volatile production from non-sulfur amino acids by irradiation

NASA Astrophysics Data System (ADS)

Ahn, Dong Uk; Lee, Eun Joo; Feng, Xi; Zhang, Wangang; Lee, Ji Hwan; Jo, Cheorun; Nam, Kichang

2016-02-01

Non-sulfur amino acid monomers were used to study the mechanisms of volatile production in meat by irradiation. Irradiation not only produced many volatiles but also increased the amounts of volatiles from non-sulfur amino acid monomers. The major reaction mechanisms involved in volatile production from each group of the amino acids by irradiation differ significantly. However, we speculate that the radiolysis of amino acid side chains were the major mechanism. In addition, Strecker degradation, especially the production of aldehydes from aliphatic group amino acids, and deamination, isomerization, decarboxylation, cyclic reaction and dehydrogenation of the initial radiolytic products were also contributed to the production of volatile compounds. Each amino acid monomers produced different odor characteristics, but the intensities of odor from all non-sulfur amino acid groups were very weak. This indicated that the contribution of volatiles produced from non-sulfur amino acids was minor. If the volatile compounds from non-sulfur amino acids, especially aldehydes, interact with other volatiles compounds such as sulfur compounds, however, they can contribute to the off-odor of irradiated meat significantly.

Galactic cosmic ray abundances and spectra behind defined shielding.

PubMed

Heinrich, W; Benton, E V; Wiegel, B; Zens, R; Rusch, G

1994-10-01

LET spectra have been measured for lunar missions and for several near Earth orbits ranging from 28 degrees to 83 degrees inclination. In some of the experiments the flux of GCR was determined separately from contributions caused by interactions in the detector material. Results of these experiments are compared to model calculations. The general agreement justifies the use of the model to calculate GCR fluxes. The magnitude of variations caused by solar modulation, geomagnetic shielding, and shielding by matter determined from calculated LET spectra is generally in agreement with experimental data. However, more detailed investigations show that there are some weak points in modeling solar modulation and shielding by material. These points are discussed in more detail.

Electrical transport properties in indium tin oxide films prepared by electron-beam evaporation

NASA Astrophysics Data System (ADS)

Liu, X. D.; Jiang, E. Y.; Zhang, D. X.

2008-10-01

Amorphous and polycrystalline indium tin oxide films have been prepared by electron-beam evaporation method. The amorphous films exhibit semiconductor behavior, while metallic conductivity is observed in the polycrystalline samples. The magnetoconductivities of the polycrystalline films are positive at low temperatures and can be well described by the theory of three-dimensional weak-localization effect. In addition, the electron phase-breaking rate is proportional to T3/2. Comparing the experimental results with theory, we find that the electron-electron scattering is the dominant destroyer of the constructive interference in the films. In addition, the Coulomb interaction is the main contribution to the nontrivial corrections for the electrical conductivity at low temperatures.

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.

Results from the SAMPLE Experiment

NASA Astrophysics Data System (ADS)

Pitt, Mark L.

1997-10-01

The neutral weak current can be used to determine the contribution of strange quark-antiquark pairs to the nucleon form factors (D. Kaplan and A. Manohar, Nucl. Phys. B310), 527 (1988).. The SAMPLE experiment measures the neutral weak magnetic form factor of the proton using parity-violating electron scattering, thus providing information on the strange quark sea contribution to the magnetic moment of the proton. The experiment is being performed at the MIT-Bates Linear Accelerator Center. We have recently

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.

Non-neural Muscle Weakness Has Limited Influence on Complexity of Motor Control during Gait

PubMed Central

Goudriaan, Marije; Shuman, Benjamin R.; Steele, Katherine M.; Van den Hauwe, Marleen; Goemans, Nathalie; Molenaers, Guy; Desloovere, Kaat

2018-01-01

Cerebral palsy (CP) and Duchenne muscular dystrophy (DMD) are neuromuscular disorders characterized by muscle weakness. Weakness in CP has neural and non-neural components, whereas in DMD, weakness can be considered as a predominantly non-neural problem. Despite the different underlying causes, weakness is a constraint for the central nervous system when controlling gait. CP demonstrates decreased complexity of motor control during gait from muscle synergy analysis, which is reflected by a higher total variance accounted for by one synergy (tVAF1). However, it remains unclear if weakness directly contributes to higher tVAF1 in CP, or whether altered tVAF1 reflects mainly neural impairments. If muscle weakness directly contributes to higher tVAF1, then tVAF1 should also be increased in DMD. To examine the etiology of increased tVAF1, muscle activity data of gluteus medius, rectus femoris, medial hamstrings, medial gastrocnemius, and tibialis anterior were measured at self-selected walking speed, and strength data from knee extensors, knee flexors, dorsiflexors and plantar flexors, were analyzed in 15 children with CP [median (IQR) age: 8.9 (2.2)], 15 boys with DMD [8.7 (3.1)], and 15 typical developing (TD) children [8.6 (2.7)]. We computed tVAF1 from 10 concatenated steps with non-negative matrix factorization, and compared tVAF1 between the three groups with a Mann-Whiney U-test. Spearman's rank correlation coefficients were used to determine if weakness in specific muscle groups contributed to altered tVAF1. No significant differences in tVAF1 were found between DMD [tVAF1: 0.60 (0.07)] and TD children [0.65 (0.07)], while tVAF1 was significantly higher in CP [(0.74 (0.09)] than in the other groups (both p < 0.005). In CP, weakness in the plantar flexors was related to higher tVAF1 (r = −0.72). In DMD, knee extensor weakness related to increased tVAF1 (r = −0.50). These results suggest that the non-neural weakness in DMD had limited influence on complexity of motor control during gait and that the higher tVAF1 in children with CP is mainly related to neural impairments caused by the brain lesion. PMID:29445330

Weak mixing below the weak scale in dark-matter direct detection

NASA Astrophysics Data System (ADS)

Brod, Joachim; Grinstein, Benjamin; Stamou, Emmanuel; Zupan, Jure

2018-02-01

If dark matter couples predominantly to the axial-vector currents with heavy quarks, the leading contribution to dark-matter scattering on nuclei is either due to one-loop weak corrections or due to the heavy-quark axial charges of the nucleons. We calculate the effects of Higgs and weak gauge-boson exchanges for dark matter coupling to heavy-quark axial-vector currents in an effective theory below the weak scale. By explicit computation, we show that the leading-logarithmic QCD corrections are important, and thus resum them to all orders using the renormalization group.

Experimental joint weak measurement on a photon pair as a probe of Hardy's paradox.

PubMed

Lundeen, J S; Steinberg, A M

2009-01-16

It has been proposed that the ability to perform joint weak measurements on postselected systems would allow us to study quantum paradoxes. These measurements can investigate the history of those particles that contribute to the paradoxical outcome. Here we experimentally perform weak measurements of joint (i.e., nonlocal) observables. In an implementation of Hardy's paradox, we weakly measure the locations of two photons, the subject of the conflicting statements behind the paradox. Remarkably, the resulting weak probabilities verify all of these statements but, at the same time, resolve the paradox.

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.

Quantitative analysis of intermolecular interactions in orthorhombic rubrene

DOE PAGES

Hathwar, Venkatesha R.; Sist, Mattia; Jørgensen, Mads R. V.; ...

2015-08-14

Rubrene is one of the most studied organic semiconductors to date due to its high charge carrier mobility which makes it a potentially applicable compound in modern electronic devices. Previous electronic device characterizations and first principles theoretical calculations assigned the semiconducting properties of rubrene to the presence of a large overlap of the extended π-conjugated core between molecules. We present here the electron density distribution in rubrene at 20 K and at 100 K obtained using a combination of high-resolution X-ray and neutron diffraction data. The topology of the electron density and energies of intermolecular interactions are studied quantitatively. Specifically,more » the presence of C π...C πinteractions between neighbouring tetracene backbones of the rubrene molecules is experimentally confirmed from a topological analysis of the electron density, Non-Covalent Interaction (NCI) analysis and the calculated interaction energy of molecular dimers. A significant contribution to the lattice energy of the crystal is provided by H—H interactions. The electron density features of H—H bonding, and the interaction energy of molecular dimers connected by H—H interaction clearly demonstrate an importance of these weak interactions in the stabilization of the crystal structure. Finally, the quantitative nature of the intermolecular interactions is virtually unchanged between 20 K and 100 K suggesting that any changes in carrier transport at these low temperatures would have a different origin. The obtained experimental results are further supported by theoretical calculations.« less

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

Communication: Many-body stabilization of non-covalent interactions: Structure, stability, and mechanics of Ag3Co(CN)6 framework.

PubMed

Liu, Xiaofei; Hermann, Jan; Tkatchenko, Alexandre

2016-12-28

Stimuli-responsive metal-organic frameworks (MOFs) and other framework materials exhibit a broad variety of useful properties, which mainly stem from an interplay of strong covalent bonds within the organic linkers with presumably weak van der Waals (vdW) interactions which determine the overall packing of the framework constituents. Using Ag 3 Co(CN) 6 as a fundamental test case-a system with a colossal positive and negative thermal expansion [A. L. Goodwin et al., Science 319, 794 (2008)]-we demonstrate that its structure, stability, dielectric, vibrational, and mechanical properties are critically influenced by many-body electronic correlation contributions to non-covalent vdW interactions. The Ag 3 Co(CN) 6 framework is a remarkable molecular crystal, being visibly stabilized, rather than destabilized, by many-body vdW correlations. A detailed comparison with H 3 Co(CN) 6 highlights the crucial role of strongly polarized metallophilic interactions in dictating the exceptional properties of denser MOFs. Beyond MOFs, our findings indicate that many-body electronic correlations can substantially stabilize polarizable materials, providing a novel mechanism for tuning the properties of nanomaterials with intricate structural motifs.

A ray tracing model of gravity wave propagation and breakdown in the middle atmosphere

NASA Technical Reports Server (NTRS)

Schoeberl, M. R.

1985-01-01

Gravity wave ray tracing and wave packet theory is used to parameterize wave breaking in the mesosphere. Rays are tracked by solving the group velocity equations, and the interaction with the basic state is determined by considering the evolution of the packet wave action density. The ray tracing approach has a number of advantages over the steady state parameterization as the effects of gravity wave focussing and refraction, local dissipation, and wave response to rapid changes in the mean flow are more realistically considered; however, if steady state conditions prevail, the method gives identical results. The ray tracing algorithm is tested using both interactive and noninteractive models of the basic state. In the interactive model, gravity wave interaction with the polar night jet on a beta-plane is considered. The algorithm produces realistic polar night jet closure for weak topographic forcing of gravity waves. Planetary scale waves forced by local transfer of wave action into the basic flow in turn transfer their wave action into the zonal mean flow. Highly refracted rays are also found not to contribute greatly to the climatology of the mesosphere, as their wave action is severely reduced by dissipation during their lateral travel.

Spectroscopic and molecular modelling studies of binding mechanism of metformin with bovine serum albumin

NASA Astrophysics Data System (ADS)

Sharma, Deepti; Ojha, Himanshu; Pathak, Mallika; Singh, Bhawna; Sharma, Navneet; Singh, Anju; Kakkar, Rita; Sharma, Rakesh K.

2016-08-01

Metformin is a biguanide class of drug used for the treatment of diabetes mellitus. It is well known that serum protein-ligand binding interaction significantly influence the biodistribution of a drug. Current study was performed to characterize the binding mechanism of metformin with serum albumin. The binding interaction of the metformin with bovine serum albumin (BSA) was examined using UV-Vis absorption spectroscopy, fluorescence, circular dichroism, density functional theory and molecular docking studies. Absorption spectra and fluorescence emission spectra pointed out the weak binding of metformin with BSA as was apparent from the slight change in absorbance and fluorescence intensity of BSA in presence of metformin. Circular dichroism study implied the significant change in the conformation of BSA upon binding with metformin. Density functional theory calculations showed that metformin has non-planar geometry and has two energy states. The docking studies evidently signified that metformin could bind significantly to the three binding sites in BSA via hydrophobic, hydrogen bonding and electrostatic interactions. The data suggested the existence of non-covalent specific binding interaction in the complexation of metformin with BSA. The present study will certainly contribute to the development of metformin as a therapeutic molecule.

Interaction of Kelvin waves and nonlocality of energy transfer in superfluids

NASA Astrophysics Data System (ADS)

Laurie, Jason; L'Vov, Victor S.; Nazarenko, Sergey; Rudenko, Oleksii

2010-03-01

We argue that the physics of interacting Kelvin Waves (KWs) is highly nontrivial and cannot be understood on the basis of pure dimensional reasoning. A consistent theory of KW turbulence in superfluids should be based upon explicit knowledge of their interactions. To achieve this, we present a detailed calculation and comprehensive analysis of the interaction coefficients for KW turbuelence, thereby, resolving previous mistakes stemming from unaccounted contributions. As a first application of this analysis, we derive a local nonlinear (partial differential) equation. This equation is much simpler for analysis and numerical simulations of KWs than the Biot-Savart equation, and in contrast to the completely integrable local induction approximation (in which the energy exchange between KWs is absent), describes the nonlinear dynamics of KWs. Second, we show that the previously suggested Kozik-Svistunov energy spectrum for KWs, which has often been used in the analysis of experimental and numerical data in superfluid turbulence, is irrelevant, because it is based upon an erroneous assumption of the locality of the energy transfer through scales. Moreover, we demonstrate the weak nonlocality of the inverse cascade spectrum with a constant particle-number flux and find resulting logarithmic corrections to this spectrum.

Could a Weak Coupling Massless SU(5) Theory Underly the Standard Model S-Matrix

NASA Astrophysics Data System (ADS)

White, Alan R.

2011-04-01

The unitary Critical Pomeron connects to a unique massless left-handed SU(5) theory that, remarkably, might provide an unconventional underlying unification for the Standard Model. Multi-regge theory suggests the existence of a bound-state high-energy S-Matrix that replicates Standard Model states and interactions via massless fermion anomaly dynamics. Configurations of anomalous wee gauge boson reggeons play a vacuum-like role. All particles, including neutrinos, are bound-states with dynamical masses (there is no Higgs field) that are formed (in part) by anomaly poles. The contributing zero-momentum chirality transitions break the SU(5) symmetry to vector SU(3)⊗U(1) in the S-Matrix. The high-energy interactions are vector reggeon exchanges accompanied by wee boson sums (odd-signature for the strong interaction and even-signature for the electroweak interaction) that strongly enhance couplings. The very small SU(5) coupling, αQUD ≲ 1/120, should be reflected in small (Majorana) neutrino masses. A color sextet quark sector, still to be discovered, produces both Dark Matter and Electroweak Symmetry Breaking. Anomaly color factors imply this sector could be produced at the LHC with large cross-sections, and would be definitively identified in double pomeron processes.

Spin-Triplet Pairing Induced by Spin-Singlet Interactions in Noncentrosymmetric Superconductors

NASA Astrophysics Data System (ADS)

Matsuzaki, Tomoaki; Shimahara, Hiroshi

2017-02-01

In noncentrosymmetric superconductors, we examine the effect of the difference between the intraband and interband interactions, which becomes more important when the band splitting increases. We define the difference ΔVμ between their coupling constants, i.e., that between the intraband and interband hopping energies of intraband Cooper pairs. Here, the subscript μ of ΔVμ indicates that the interactions scatter the spin-singlet and spin-triplet pairs when μ = 0 and μ = 1,2,3, respectively. It is shown that the strong antisymmetric spin-orbit interaction reverses the target spin parity of the interaction: it converts the spin-singlet and spin-triplet interactions represented by ΔV0 and ΔVμ>0 into effective spin-triplet and spin-singlet pairing interactions, respectively. Hence, for example, triplet pairing can be induced solely by the singlet interaction ΔV0. We name the pairing symmetry of the system after that of the intraband Cooper pair wave function, but with an odd-parity phase factor excluded. The pairing symmetry must then be even, even for the triplet component, and the following results are obtained. When ΔVμ is small, the spin-triplet p-wave interactions induce spin-triplet s-wave and spin-triplet d-wave pairings in the regions where the repulsive singlet s-wave interaction is weak and strong, respectively. When ΔV0 is large, a repulsive interband spin-singlet interaction can stabilize spin-triplet pairing. When the Rashba interaction is adopted for the spin-orbit interaction, the spin-triplet pairing interactions mediated by transverse magnetic fluctuations do not contribute to triplet pairing.

Weak signal detection: A discrete window of opportunity for achieving ‘Vision 90:90:90’?

PubMed Central

Burman, Christopher J.; Aphane, Marota; Delobelle, Peter

2016-01-01

Abstract Introduction: UNAIDS’ Vision 90:90:90 is a call to ‘end AIDS’. Developing predictive foresight of the unpredictable changes that this journey will entail could contribute to the ambition of ‘ending AIDS’. There are few opportunities for managing unpredictable changes. We introduce ‘weak signal detection’ as a potential opportunity to fill this void. Method: Combining futures and complexity theory, we reflect on two pilot case studies that involved the Archetype Extraction technique and the SenseMaker® Collector™ tool. Results: Both the piloted techniques have the potentials to surface weak signals – but there is room for improvement. Discussion: A management response to a complex weak signal requires pattern management, rather than an exclusive focus on behaviour management. Conclusion: Weak signal detection is a window of opportunity to improve resilience to unpredictable changes in the HIV/AIDS landscape that can both reduce the risk that emerges from the changes and increase the visibility of opportunities to exploit the unpredictable changes that could contribute to ‘ending AIDS’. PMID:26821952

[Epidemiologic research on the environment and health: some methodologic aspects].

PubMed

Hémon, D

1995-01-01

Research in environmental epidemiology deals with physical, chemical and biological agents whose presence--or relative absence--within the different media coming into contract with human beings (air, water, soil, food, etc...) may be harmful to human health. Some "major" environmental risk factors are well known. In a number of situations, however, environment-disease associations are "weak". This does not rule out the possibility that the exposures involved have a significant impact on human health, considering their prevalence which is frequently high. However, this complicates their study owing to the potential importance of biases as well as that of sampling fluctuations. Although increasing study size is of crucial importance, it is not sufficient to establish a clearcut distinction between "weak" associations and "diluted" ones. To improve our knowledge of health risks which are associated with environmental exposures, the basic methodological principles of epidemiological research--to define and adequately measure exposures, health outcomes, confounders and effect modifiers--may be very valuable to approach the study of "weak" associations: 1) identifying and quantifying the presence of the agents of interest in the environment, studying the distribution of environmental exposures among individuals and its determinants, taking into account the whole history of personal exposures and integrating adequately the short term time variability of exposures, giving special attention to the type and intensity of exposures may help in the definition and measurement of exposures; 2) carefully analyzing the interactions which may exist between the physical, chemical and biological agents of interest and the human body may greatly help in the elaboration, measurement and validation of relevant health outcomes (exposures to the target organs, early lesions and health impairments); 3) this same approach may also greatly contribute to the identification of constitutional or acquired individual characteristics which may interact with environmental agents in the development of diseases. While there is no guarantee that such approaches will successfully discriminate between "weak" and "diluted" associations, it is likely that inconclusive epidemiological evidence will be very difficult to avoid if such approaches are neglected by environmental epidemiologists.

Can the standard model CP violation near the W bags explain the cosmological baryonic asymmetry?

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

Burnier, Yannis; Shuryak, Edward

2011-10-01

In the scenario of cold electroweak baryogenesis, oscillations of the Higgs field lead to metastable domains of unbroken phase where the Higgs field nearly vanishes. Those domains have also been identified with the W-t-t bags, a nontopological solitons made of large number ({approx}1000) of gauge quanta and heavy (top and antitop) quarks. As real-time numerical studies had shown, sphalerons (topological transition events violating the baryon number) occur only inside those bags. In this work we estimate the amount of CP violation in this scenario coming from the standard model, via the Cabibbo-Kobayashi-Maskawa (CKM) quark mixing matrix, resulting in top-minus-antitop differencemore » of the population in the bags. Since these tops/antitops are recycled by sphalerons, this population difference leads directly to the baryonic asymmetry of the Universe. We look at the effect appearing in the 4th order in weak W diagrams describing interference of different quark flavor contributions. We found that there are multiple cancellations of diagrams and clearly sign-definite effect appears only in the 6th-order expansion over flavor-dependent phases. We then estimate contributions to these diagrams in which weak interaction occurs (i) inside, (ii) near and (iii) far from the W-t-t b-bags, optimizing the contributions in each of them. We conclude that the second (near) scenario is the dominant one, producing CP violation of the order of 10{sup -10}, in our crude estimates. Together with the baryon violation rate of about 10{sup -2}, previously demonstrated for this scenario, it puts the resulting asymmetry close to what is needed to explain the observed baryonic asymmetry in the Universe. Our answer also has a definite sign, which apparently seems to be the correct one.« less

Phonon dynamics of graphene on metals

NASA Astrophysics Data System (ADS)

Taleb, Amjad Al; Farías, Daniel

2016-03-01

The study of surface phonon dispersion curves is motivated by the quest for a detailed understanding of the forces between the atoms at the surface and in the bulk. In the case of graphene, additional motivation comes from the fact that thermal conductivity is dominated by contributions from acoustic phonons, while optical phonon properties are essential to understand Raman spectra. In this article, we review recent progress made in the experimental determination of phonon dispersion curves of graphene grown on several single-crystal metal surfaces. The two main experimental techniques usually employed are high-resolution electron energy loss spectroscopy (HREELS) and inelastic helium atom scattering (HAS). The different dispersion branches provide a detailed insight into the graphene-substrate interaction. Softening of optical modes and signatures of the substrate‧s Rayleigh wave are observed for strong graphene-substrate interactions, while acoustic phonon modes resemble those of free-standing graphene for weakly interacting systems. The latter allows determining the bending rigidity and the graphene-substrate coupling strength. A comparison between theory and experiment is discussed for several illustrative examples. Perspectives for future experiments are discussed.

Surface plasmon effects in the absorption enhancements of amorphous silicon solar cells with periodical metal nanowall and nanopillar structures.

PubMed

Lin, Hung-Yu; Kuo, Yang; Liao, Cheng-Yuan; Yang, C C; Kiang, Yean-Woei

2012-01-02

The authors numerically investigate the absorption enhancement of an amorphous Si solar cell, in which a periodical one-dimensional nanowall or two-dimensional nanopillar structure of the Ag back-reflector is fabricated such that a dome-shaped grating geometry is formed after Si deposition and indium-tin-oxide coating. In this investigation, the effects of surface plasmon (SP) interaction in such a metal nanostructure are of major concern. Absorption enhancement in most of the solar spectral range of significant amorphous Si absorption (320-800 nm) is observed in a grating solar cell. In the short-wavelength range of high amorphous Si absorption, the weakly wavelength-dependent absorption enhancement is mainly caused by the broadband anti-reflection effect, which is produced through the surface nano-grating structures. In the long-wavelength range of diminishing amorphous Si absorption, the highly wavelength-sensitive absorption enhancement is mainly caused by Fabry-Perot resonance and SP interaction. The SP interaction includes the contributions of surface plasmon polariton and localized surface plasmon.

Radiative and Physiological Effects of Increased CO2: How Does This Interaction Affect Climate?

NASA Technical Reports Server (NTRS)

Bounoua, Lahouari

2011-01-01

Several climate models indicate that in a 2xCO2 environment, temperature and precipitation would increase and runoff would increase faster than precipitation. These models, however, did not allow the vegetation to increase its leaf density as a response to the physiological effects of increased CO2 and consequent changes in climate. Other assessments included these interactions but did not account for the vegetation downregulation to reduce plant's photosynthetic activity and as such resulted in a weak vegetation negative response. When we combine these interactions in climate simulations with 2xCO2, the associated increase in precipitation contributes primarily to increase evapotranspiration rather than surface runoff, consistent with observations, and results in an additional cooling effect not fully accounted for in previous 2xCO2 simulations. By accelerating the water cycle, this feedback slows but does not alleviate the projected warming, reducing the land surface warming by 0.6 C. Compared to previous studies, these results imply that long term negative feedback from CO2-induced increases in vegetation density could reduce temperature following a stabilization of CO2 concentration.

Supersymmetric contributions to weak decay correlation coefficients

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

Profumo, S.; Ramsey-Musolf, M. J.; Tulin, S.

2007-04-01

We study supersymmetric contributions to correlation coefficients that characterize the spectral shape and angular distribution for polarized {mu}- and {beta}-decays. In the minimal supersymmetric standard model (MSSM), one-loop box graphs containing superpartners can give rise to non-(V-Ax(V-A) four-fermion operators in the presence of left-right or flavor mixing between sfermions. We analyze the present phenomenological constraints on such mixing and determine the range of allowed contributions to the weak decay correlation coefficients. We discuss the prospective implications for future {mu}- and {beta}-decay experiments, and argue that they may provide unique probes of left-right mixing in the first generation scalar fermion sector.

Electrostatic attraction of weak monoacid anions increases probability for protonation and passage through aquaporins.

PubMed

Rothert, Monja; Rönfeldt, Deike; Beitz, Eric

2017-06-02

A positive electrostatic field emanating from the center of the aquaporin (AQP) water and solute channel is responsible for the repulsion of cations. At the same time, however, a positive field will attract anions. In this regard, l-lactate/lactic acid permeability has been shown for various isoforms of the otherwise highly water and neutral substrate selective AQP family. The structural requirements rendering certain AQPs permeable for weak monoacids and the mechanism of conduction have remained unclear. Here, we show by profiling pH-dependent substrate permeability, measurements of media alkalization, and proton decoupling that AQP9 acts as a channel for the protonated, neutral monocarboxylic acid species. Intriguingly, the obtained permeability rates indicate an up to 10 times higher probability of passage via AQP9 than given by the fraction of the protonated acid substrate at a certain pH. We generated AQP9 point mutants showing that this effect is independent from properties of the channel interior but caused by the protein surface electrostatics. Monocarboxylic acid-conducting AQPs thus employ a mechanism similar to the family of formate-nitrite transporters for weak monoacids. On a more general basis, our data illustrate semiquantitatively the contribution of surface electrostatics to the interaction of charged molecule substrates or ligands with target proteins, such as channels, transporters, enzymes, or receptors. © 2017 by The American Society for Biochemistry and Molecular Biology, Inc.

Magnetic anisotropy in binuclear complexes in the weak-exchange limit: From the multispin to the giant-spin Hamiltonian

NASA Astrophysics Data System (ADS)

Maurice, Rémi; de Graaf, Coen; Guihéry, Nathalie

2010-06-01

This paper studies the physical basis of the giant-spin Hamiltonian, which is usually used to describe the anisotropy of single-molecule magnets. A rigorous extraction of the model has been performed in the weak-exchange limit of a binuclear centrosymmetric Ni(II) complex, using correlated ab initio calculations and effective Hamiltonian theory. It is shown that the giant-spin Hamiltonian is not appropriate to describe polynuclear complexes as soon as spin mixing becomes non-negligible. A relevant model is proposed involving fourth-order operators, different from the traditionally used Stevens operators. The new giant-spin Hamiltonian correctly reproduces the effects of the spin mixing in the weak-exchange limit. A procedure to switch on and off the spin mixing in the extraction has been implemented in order to separate this effect from other anisotropic effects and to numerically evaluate both contributions to the tunnel splitting. Furthermore, the new giant-spin Hamiltonian has been derived analytically from the multispin Hamiltonian at the second order of perturbation and the theoretical link between the two models is studied to gain understanding concerning the microscopic origin of the fourth-order interaction in terms of axial, rhombic, or mixed (axial-rhombic) character. Finally, an adequate method is proposed to extract the proper magnetic axes frame for polynuclear anisotropic systems.

Resolving the conundrum of inbreeding depression but no inbreeding avoidance: Estimating sex‐specific selection on inbreeding by song sparrows (Melospiza melodia)

PubMed Central

Reid, Jane M.; Arcese, Peter; Bocedi, Greta; Duthie, A. Bradley; Wolak, Matthew E.; Keller, Lukas F.

2015-01-01

Inbreeding avoidance among interacting females and males is not always observed despite inbreeding depression in offspring fitness, creating an apparent “inbreeding paradox.” This paradox could be resolved if selection against inbreeding was in fact weak, despite inbreeding depression. However, the net magnitude and direction of selection on the degree to which females and males inbreed by pairing with relatives has not been explicitly estimated. We used long‐term pedigree data to estimate phenotypic selection gradients on the degree of inbreeding that female and male song sparrows (Melospiza melodia) expressed by forming socially persistent breeding pairs with relatives. Fitness was measured as the total numbers of offspring and grand offspring contributed to the population, and as corresponding expected numbers of identical‐by‐descent allele copies, thereby accounting for variation in offspring survival, reproduction, and relatedness associated with variation in parental inbreeding. Estimated selection gradients on the degree to which individuals paired with relatives were weakly positive in females, but negative in males that formed at least one socially persistent pairing. However, males that paired had higher mean fitness than males that remained socially unpaired. These analyses suggest that net selection against inbreeding may be weak in both sexes despite strong inbreeding depression, thereby resolving the “inbreeding paradox.” PMID:26420476

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)

Weak ferromagnetism along the third-order axis of the FeBO3 crystals caused by Fe2+ impurity ions

NASA Astrophysics Data System (ADS)

Ovchinnikov, S. G.; Rudenko, V. V.; Vorotynov, A. M.

2018-05-01

Using the single-ion approximation, the weak ferromagnetic moment σZ(Fe2+) along the third-order axis of FeBO3 crystals, which is caused by the contribution of Fe2+ ions, has been investigated in the framework of the model Fe2+ impurity ion -BO3 vacancy. The extreme low-temperature behavior of the total magnetic moment due to the strong dependence of the Fe2+ion contribution is predicted.

Neutron Reflectometry Study of the Conformation of HIV Nef Bound to Lipid Membranes

PubMed Central

Kent, Michael S.; Murton, Jaclyn K.; Sasaki, Darryl Y.; Satija, Sushil; Akgun, Bulent; Nanda, Hirsh; Curtis, Joseph E.; Majewski, Jaroslaw; Morgan, Christopher R.; Engen, John R.

2010-01-01

Nef is an HIV-1 accessory protein that directly contributes to AIDS progression. Nef is myristoylated on the N-terminus, associates with membranes, and may undergo a transition from a solution conformation to a membrane-associated conformation. It has been hypothesized that conformational rearrangement enables membrane-associated Nef to interact with cellular proteins. Despite its medical relevance, to our knowledge there is no direct information about the conformation of membrane-bound Nef. In this work, we used neutron reflection to reveal what we believe are the first details of the conformation of membrane-bound Nef. The conformation of Nef was probed upon binding to Langmuir monolayers through the interaction of an N-terminal His tag with a synthetic metal-chelating lipid, which models one of the possible limiting cases for myr-Nef. The data indicate that residues are inserted into the lipid headgroups during interaction, and that the core domain lies directly against the lipid headgroups, with a thickness of ∼40 Å. Binding of Nef through the N-terminal His tag apparently facilitates insertion of residues, as no insertion occurred upon binding of Nef through weak electrostatic interactions in the absence of the specific interaction through the His tag. PMID:20858440

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.

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.

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

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.

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.

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.

Intra- and intersegmental influences among central pattern generating networks in the walking system of the stick insect.

PubMed

Mantziaris, Charalampos; Bockemühl, Till; Holmes, Philip; Borgmann, Anke; Daun, Silvia; Büschges, Ansgar

2017-10-01

To efficiently move around, animals need to coordinate their limbs. Proper, context-dependent coupling among the neural networks underlying leg movement is necessary for generating intersegmental coordination. In the slow-walking stick insect, local sensory information is very important for shaping coordination. However, central coupling mechanisms among segmental central pattern generators (CPGs) may also contribute to this. Here, we analyzed the interactions between contralateral networks that drive the depressor trochanteris muscle of the legs in both isolated and interconnected deafferented thoracic ganglia of the stick insect on application of pilocarpine, a muscarinic acetylcholine receptor agonist. Our results show that depressor CPG activity is only weakly coupled between all segments. Intrasegmental phase relationships differ between the three isolated ganglia, and they are modified and stabilized when ganglia are interconnected. However, the coordination patterns that emerge do not resemble those observed during walking. Our findings are in line with recent studies and highlight the influence of sensory input on coordination in slowly walking insects. Finally, as a direct interaction between depressor CPG networks and contralateral motoneurons could not be observed, we hypothesize that coupling is based on interactions at the level of CPG interneurons. NEW & NOTEWORTHY Maintaining functional interleg coordination is vitally important as animals locomote through changing environments. The relative importance of central mechanisms vs. sensory feedback in this process is not well understood. We analyzed coordination among the neural networks generating leg movements in stick insect preparations lacking phasic sensory feedback. Under these conditions, the networks governing different legs were only weakly coupled. In stick insect, central connections alone are thus insufficient to produce the leg coordination observed behaviorally. Copyright © 2017 the American Physiological Society.

Weak interactions at high energies. [Lectures, review

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

Ellis, J.

1978-08-01

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

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

DOE PAGES

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

2015-07-22

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

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

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

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

2015-07-22

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

Phase Diagram of the Bose Hubbard Model with Weak Links

NASA Astrophysics Data System (ADS)

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

2012-02-01

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

Quantum weak turbulence with applications to semiconductor lasers

NASA Astrophysics Data System (ADS)

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

1998-10-01

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

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.

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.

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

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.

The effect of extracellular weak acids and bases on the intracellular buffering power of snail neurones.

PubMed Central

Szatkowski, M S

1989-01-01

1. Intracellular pH (pHi) was measured in snail neurones using pH-sensitive glass microelectrodes. The influence of externally applied weak acids and bases on the total intracellular buffering power (beta T) was investigated by monitoring the pHi changes caused by the intracellular ionophoretic injection of HCl. 2. In the absence of weak acids or bases a reduction in the extracellular HEPES concentration had no effect on pHi or on beta T. It did, however, reduce slightly the rate of pHi recovery following HCl injection. 3. The presence of CO2 greatly increased beta T. However, as predicted for an open buffer system, the contributions to intracellular buffering by CO2 (beta CO2) decreased as pHi decreased. 4. When added to the superfusate, procaine, 4-aminopyridine, trimethylamine and NH4Cl (1-10 mM) all increased steady-state pHi. Procaine was fastest at increasing pHi and 4-aminopyridine the slowest. All four of these weak bases increased beta T. 5. The intracellular buffering action by these weak bases varied. HCl injection in the presence of procaine usually resulted in steady-state pHi changes with no pHi transients. In the presence of the other three weak bases HCl injections resulted in intracellular acidifications which were followed by pHi recovery-like transients. However, these were not blocked by SITS (4-acetamido-4'-isothiocyanatostilbene-2,2'-disulphonic acid) or by CaCl2 and I thus conclude that these transients were as a result of slow or incomplete intracellular buffering by the weak bases. 6. In many cells there was a good correlation between the measured contributions to intracellular buffering by the weak bases (beta base) and those predicted assuming a simple two-compartment open system. In all cases, as predicted, beta base increased as pHi decreased. 7. I found a clear relationship between the concentration of external buffer (HEPES) and the rate at which weak bases, applied to the superfusate, were able to increase pHi. The greater the extracellular buffer concentration the greater was the speed of intracellular alkalinization. 8. Lowering the extracellular buffer concentration reduced the efficiency of intracellular buffering by weak bases in response to an intracellular acid load. HCl injection in the presence of weak base caused a larger initial intracellular acidification if the extracellular HEPES concentration was reduced. 9. In conclusion, both weak acids and weak bases can make very large, pHi-dependent contributions to intracellular buffering by way of open buffer systems.(ABSTRACT TRUNCATED AT 400 WORDS) PMID:2555474

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.

Semiclassical transport in nearly symmetric quantum dots. II. Symmetry breaking due to asymmetric leads.

PubMed

Whitney, Robert S; Schomerus, Henning; Kopp, Marten

2009-11-01

In this work-the second of a pair of articles-we consider transport through spatially symmetric quantum dots with leads whose widths or positions do not obey the spatial symmetry. We use the semiclassical theory of transport to find the symmetry-induced contributions to weak localization corrections and universal conductance fluctuations for dots with left-right, up-down, inversion, and fourfold symmetries. We show that all these contributions are suppressed by asymmetric leads; however, they remain finite whenever leads intersect with their images under the symmetry operation. For an up-down symmetric dot, this means that the contributions can be finite even if one of the leads is completely asymmetric. We find that the suppression of the contributions to universal conductance fluctuations is the square of the suppression of contributions to weak localization. Finally, we develop a random-matrix theory model which enables us to numerically confirm these results.

The tracking analysis in the Q-weak experiment

DOE PAGES

Pan, J.; Androic, D.; Armstrong, D. S.; ...

2016-11-21

Here, the Q-weak experiment at Jefferson Laboratory measured the parity violating asymmetry (Amore » $$_{PV}$$ ) in elastic electron-proton scattering at small momentum transfer squared (Q$$^{2}$$=0.025 (G e V/c)$$^{2}$$), with the aim of extracting the proton’s weak charge ( $${Q^p_W}$$ ) to an accuracy of 5 %. As one of the major uncertainty contribution sources to $${Q^p_W}$$ , Q$$^{2}$$ needs to be determined to ~1 % so as to reach the proposed experimental precision. For this purpose, two sets of high resolution tracking chambers were employed in the experiment, to measure tracks before and after the magnetic spectrometer. Data collected by the tracking system were then reconstructed with dedicated software into individual electron trajectories for experimental kinematics determination. The Q-weak kinematics and the analysis scheme for tracking data are briefly described here. The sources that contribute to the uncertainty of Q$$^{2}$$ are discussed, and the current analysis status is reported.« less

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

Clinical investigation into feed-related hypervitaminosis D in a captive flock of budgerigars (Melopsittacus undulatus): morbidity, mortalities, and pathologic lesions.

PubMed

Olds, June E; Burrough, Eric; Madison, Darin; Ensley, Steve; Horst, Ronald; Janke, Bruce H; Schwartz, Kent; Stevenson, Gregory W; Gauger, Phillip; Cooper, Vickie L; Arruda, Paulo; Opriessnig, Tanja

2015-03-01

The Blank Park Zoo began suffering mortalities in the spring of 2012 within a flock of 229 captive budgerigars (Melopsittacus undulatus) housed in an interactive public-feeding aviary. Clinical signs in affected birds included weakness, posterior paresis, inability to fly, or acute death. Gross and microscopic lesions were not initially apparent in acutely affected deceased birds. Many birds had evidence of trauma, which is now hypothesized to have been related to the birds' weakness. Investigation into the cause(s) of morbidity and mortality were complicated by the opening of a new interactive enclosure. For this reason, environmental conditions and husbandry protocols were heavily scrutinized. Microscopic examination of dead budgies later in the course of the investigation revealed mineralization of soft tissues consistent with hypervitaminosis D. Pooled serum analysis of deceased birds identified elevated vitamin D3 levels. Vitamin D3 analysis was performed on the feed sticks offered by the public and the formulated maintenance diet fed to the flock. This analysis detected elevated levels of vitamin D3 that were 22.5-times the manufacturer's labeled content in the formulated diet. These findings contributed to a manufacturer recall of more than 100 formulated diets fed to a wide variety of domestic and captive wild animal species throughout the United States and internationally. This case report discusses the complexities of determining the etiology of a toxic event in a zoologic institution.

Influence of long-term social interaction on chirping behavior, steroid levels and neurogenesis in weakly electric fish.

PubMed

Dunlap, Kent D; Chung, Michael; Castellano, James F

2013-07-01

Social interactions dramatically affect the brain and behavior of animals. Studies in birds and mammals indicate that socially induced changes in adult neurogenesis participate in the regulation of social behavior, but little is known about this relationship in fish. Here, we review studies in electric fish (Apteronotus leptorhychus) that link social stimulation, changes in electrocommunication behavior and adult neurogenesis in brain regions associated with electrocommunication. Compared with isolated fish, fish living in pairs have greater production of chirps, an electrocommunication signal, during dyadic interactions and in response to standardized artificial social stimuli. Social interaction also promotes neurogenesis in the periventricular zone, which contributes born cells to the prepacemaker nucleus, the brain region that regulates chirping. Both long-term chirp rate and periventricular cell addition depend on the signal dynamics (amplitude and waveform variation), modulations (chirps) and novelty of the stimuli from the partner fish. Socially elevated cortisol levels and cortisol binding to glucocorticoid receptors mediate, at least in part, the effect of social interaction on chirping behavior and brain cell addition. In a closely related electric fish (Brachyhypopomus gauderio), social interaction enhances cell proliferation specifically in brain regions for electrocommunication and only during the breeding season, when social signaling is most elaborate. Together, these studies demonstrate a consistent correlation between brain cell addition and environmentally regulated chirping behavior across many social and steroidal treatments and suggest a causal relationship.

Quantum Counterfactual Information Transmission Without a Weak Trace

NASA Astrophysics Data System (ADS)

Arvidsson Shukur, David; Barnes, Crispin

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

Universes without the weak force: Astrophysical processes with stable neutrons

NASA Astrophysics Data System (ADS)

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

2018-02-01

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

John Wheeler, 1933 - 1959: Particles and Weapons

NASA Astrophysics Data System (ADS)

Ford, Kenneth

2009-05-01

During the early part of his career, John Archibald Wheeler made an astonishing number of contributions to nuclear and particle physics, as well as to classical electrodynamics, often in collaboration with another physicist. He was also a major contributor to the Manhattan Project (in Chicago and Hanford rather than Los Alamos), and, following World War II, became an influential scientific cold warrior. His early achievements in physics include the calculated scattering of light by light (with Gregory Breit), the prediction of nuclear rotational states (with Edward Teller), the theory of fission (with Niels Bohr), action-at-a-distance electrodynamics (with Richard Feynman), the theory of positronium, the universal weak interaction (with Jayme Tiomno), and the proposed use of the muon as a nuclear probe particle. He gained modest fame as the person who identified xenon 135 as a reactor poison. His Project Matterhorn contributed significantly to the design of the H bomb, and his Project 137, which he had hoped would flower into a major defense lab, served as the precursor to the Jason group.

Myopathy With SQSTM1 and TIA1 Variants: Clinical and Pathological Features.

PubMed

Niu, Zhiyv; Pontifex, Carly Sabine; Berini, Sarah; Hamilton, Leslie E; Naddaf, Elie; Wieben, Eric; Aleff, Ross A; Martens, Kristina; Gruber, Angela; Engel, Andrew G; Pfeffer, Gerald; Milone, Margherita

2018-01-01

The aim of this study is to identify the molecular defect of three unrelated individuals with late-onset predominant distal myopathy; to describe the spectrum of phenotype resulting from the contributing role of two variants in genes located on two different chromosomes; and to highlight the underappreciated complex forms of genetic myopathies. Clinical and laboratory data of three unrelated probands with predominantly distal weakness manifesting in the sixth-seventh decade of life, and available affected and unaffected family members were reviewed. Next-generation sequencing panel, whole exome sequencing, and targeted analyses of family members were performed to elucidate the genetic etiology of the myopathy. Genetic analyses detected two contributing variants located on different chromosomes in three unrelated probands: a heterozygous pathogenic mutation in SQSTM1 (c.1175C>T, p.Pro392Leu) and a heterozygous variant in TIA1 (c.1070A>G, p.Asn357Ser). The affected fraternal twin of one proband also carries both variants, while the unaffected family members harbor one or none. Two unrelated probands (family 1, II.3, and family 3, II.1) have a distal myopathy with rimmed vacuoles that manifested with index extensor weakness; the other proband (family 2, I.1) has myofibrillar myopathy manifesting with hypercapnic respiratory insufficiency and distal weakness. The findings indicate that all the affected individuals have a myopathy associated with both variants in SQSTM1 and TIA1 , respectively, suggesting that the two variants determine the phenotype and likely functionally interact. We speculate that the TIA1 variant is a modifier of the SQSTM1 mutation. We identify the combination of SQSTM1 and TIA1 variants as a novel genetic defect associated with myofibrillar myopathy and suggest to consider sequencing both genes in the molecular investigation of myopathy with rimmed vacuoles and myofibrillar myopathy although additional studies are needed to investigate the digenic nature of the disease.

A Survey of Aspartate Phenylalanine and Glutamate Phenylalanine Interactions in the Protein Data Bank: Searching for Anion Pairs

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

Philip, Vivek M; Harris, Jason B; Adams, Rachel M

Protein structures are stabilized using noncovalent interactions. In addition to the traditional noncovalent interactions, newer types of interactions are thought to be present in proteins. One such interaction, an anion pair, in which the positively charged edge of an aromatic ring interacts with an anion, forming a favorable anion quadrupole interaction, has been previously proposed [Jackson, M. R., et al. (2007) J. Phys. Chem. B111, 8242 8249]. To study the role of anion interactions in stabilizing protein structure, we analyzed pairwise interactions between phenylalanine (Phe) and the anionic amino acids, aspartate (Asp) and glutamate (Glu). Particular emphasis was focused onmore » identification of Phe Asp or Glu pairs separated by less than 7 in the high-resolution, nonredundant Protein Data Bank. Simplifying Phe to benzene and Asp or Glu to formate molecules facilitated in silico analysis of the pairs. Kitaura Morokuma energy calculations were performed on roughly 19000 benzene formate pairs and the resulting energies analyzed as a function of distance and angle. Edgewise interactions typically produced strongly stabilizing interaction energies (2 to 7.3 kcal/mol), while interactions involving the ring face resulted in weakly stabilizing to repulsive interaction energies. The strongest, most stabilizing interactions were identified as preferentially occurring in buried residues. Anion pairs are found throughout protein structures, in helices as well as strands. Numerous pairs also had nearby cation interactions as well as potential stacking. While more than 1000 structures did not contain an anion pair, the 3134 remaining structures contained approximately 2.6 anion pairs per protein, suggesting it is a reasonably common motif that could contribute to the overall structural stability of a protein.« less

A Survey of Aspartate-Phenylalanine and Glutamate-Phenylalanine Interactions in the Protein Data Bank: Searching for Anion-pi Pairs

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

Philip, Vivek M; Harris, Jason B; Adams, Rachel M

Protein structures are stabilized using noncovalent interactions. In addition to the traditional noncovalent interactions, newer types of interactions are thought to be present in proteins. One such interaction, an anion-{pi} pair, in which the positively charged edge of an aromatic ring interacts with an anion, forming a favorable anion-quadrupole interaction, has been previously proposed [Jackson, M. R., et al. (2007) J. Phys. Chem. B111, 8242-8249]. To study the role of anion-{pi} interactions in stabilizing protein structure, we analyzed pairwise interactions between phenylalanine (Phe) and the anionic amino acids, aspartate (Asp) and glutamate (Glu). Particular emphasis was focused on identification ofmore » Phe-Asp or -Glu pairs separated by less than 7 {angstrom} in the high-resolution, nonredundant Protein Data Bank. Simplifying Phe to benzene and Asp or Glu to formate molecules facilitated in silico analysis of the pairs. Kitaura-Morokuma energy calculations were performed on roughly 19000 benzene-formate pairs and the resulting energies analyzed as a function of distance and angle. Edgewise interactions typically produced strongly stabilizing interaction energies (-2 to -7.3 kcal/mol), while interactions involving the ring face resulted in weakly stabilizing to repulsive interaction energies. The strongest, most stabilizing interactions were identified as preferentially occurring in buried residues. Anion-{pi} pairs are found throughout protein structures, in helices as well as {beta} strands. Numerous pairs also had nearby cation-{pi} interactions as well as potential {pi}-{pi} stacking. While more than 1000 structures did not contain an anion-{pi} pair, the 3134 remaining structures contained approximately 2.6 anion-{pi} pairs per protein, suggesting it is a reasonably common motif that could contribute to the overall structural stability of a protein.« less

A survey of aspartate-phenylalanine and glutamate-phenylalanine interactions in the protein data bank: searching for anion-π pairs.

PubMed

Philip, Vivek; Harris, Jason; Adams, Rachel; Nguyen, Don; Spiers, Jeremy; Baudry, Jerome; Howell, Elizabeth E; Hinde, Robert J

2011-04-12

Protein structures are stabilized using noncovalent interactions. In addition to the traditional noncovalent interactions, newer types of interactions are thought to be present in proteins. One such interaction, an anion-π pair, in which the positively charged edge of an aromatic ring interacts with an anion, forming a favorable anion-quadrupole interaction, has been previously proposed [Jackson, M. R., et al. (2007) J. Phys. Chem. B111, 8242-8249]. To study the role of anion-π interactions in stabilizing protein structure, we analyzed pairwise interactions between phenylalanine (Phe) and the anionic amino acids, aspartate (Asp) and glutamate (Glu). Particular emphasis was focused on identification of Phe-Asp or -Glu pairs separated by less than 7 Å in the high-resolution, nonredundant Protein Data Bank. Simplifying Phe to benzene and Asp or Glu to formate molecules facilitated in silico analysis of the pairs. Kitaura-Morokuma energy calculations were performed on roughly 19000 benzene-formate pairs and the resulting energies analyzed as a function of distance and angle. Edgewise interactions typically produced strongly stabilizing interaction energies (-2 to -7.3 kcal/mol), while interactions involving the ring face resulted in weakly stabilizing to repulsive interaction energies. The strongest, most stabilizing interactions were identified as preferentially occurring in buried residues. Anion-π pairs are found throughout protein structures, in helices as well as β strands. Numerous pairs also had nearby cation-π interactions as well as potential π-π stacking. While more than 1000 structures did not contain an anion-π pair, the 3134 remaining structures contained approximately 2.6 anion-π pairs per protein, suggesting it is a reasonably common motif that could contribute to the overall structural stability of a protein.

Direction-specific van der Waals attraction between rutile TiO2 nanocrystals

NASA Astrophysics Data System (ADS)

Zhang, Xin; He, Yang; Sushko, Maria L.; Liu, Jia; Luo, Langli; De Yoreo, James J.; Mao, Scott X.; Wang, Chongmin; Rosso, Kevin M.

2017-04-01

Mutual lattice orientations dictate the types and magnitudes of forces between crystalline particles. When lattice polarizability is anisotropic, the van der Waals dispersion attraction can, in principle, contribute to this direction dependence. We report measurement of this attraction between rutile nanocrystals, as a function of their mutual orientation and surface hydration extent. At tens of nanometers of separation, the attraction is weak and shows no dependence on azimuthal alignment or surface hydration. At separations of approximately one hydration layer, the attraction is strongly dependent on azimuthal alignment and systematically decreases as intervening water density increases. Measured forces closely agree with predictions from Lifshitz theory and show that dispersion forces can generate a torque between particles interacting in solution and between grains in materials.

Plasmon-Polariton Properties in Metallic Nanosphere Chains

PubMed Central

Jacak, Witold Aleksander; Krasnyj, Jurij; Chepok, Andrej

2015-01-01

The propagation of collective wave type plasmonic excitations along infinite chains of metallic nanospheres has been analyzed, including near-, medium- and far-field contributions to the plasmon dipole interaction with all retardation effects taken into account. It is proven that there exist weakly-damped self-modes of plasmon-polaritons in the chain for which the propagation range is limited by relatively small Ohmic losses only. In this regime, the Lorentz friction irradiation losses on each nanosphere in the chain are ideally compensated by the energy income from the rest of the chain. The completely undamped collective waves were identified in the case of the presence of persistent external excitation of some fragment of the chain. The obtained characteristics of these excitations fit the experimental observations well. PMID:28793415

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.

Silver(I) complexes of the weakly coordinating solvents SO(2) and CH(2)Cl(2): crystal structures, bonding, and energetics of [Ag(OSO)][Al{OC(CF(3))(3)}(4)], [Ag(OSO)(2/2)][SbF(6)], and [Ag(CH(2)Cl(2))(2)][SbF(6)].

PubMed

Decken, Andreas; Knapp, Carsten; Nikiforov, Grigori B; Passmore, Jack; Rautiainen, J Mikko; Wang, Xinping; Zeng, Xiaoqing

2009-06-22

Pushing the limits of coordination chemistry: The most weakly coordinated silver complexes of the very weakly coordinating solvents dichloromethane and liquid sulfur dioxide were prepared. Special techniques at low temperatures and the use of weakly coordinating anions allowed structural characterization of [Ag(OSO)][Al{OC(CF(3))(3)}(4)], [Ag(OSO)(2/2)][SbF(6)], and [Ag(Cl(2)CH(2))(2)][SbF(6)] (see figure). An investigation of the bonding shows that these complexes are mainly stabilized by electrostatic monopole-dipole interactions.The synthetically useful solvent-free silver(I) salt Ag[Al(pftb)(4)] (pftb=--OC(CF(3))(3)) was prepared by metathesis reaction of Li[Al(pftb)(4)] with Ag[SbF(6)] in liquid SO(2). The solvated complexes [Ag(OSO)][Al(pftb)(4)], [Ag(OSO)(2/2)][SbF(6)], and [Ag(CH(2)Cl(2))(2)][SbF(6)] were prepared and isolated by special techniques at low temperatures and structurally characterized by single-crystal X-ray diffraction. The SO(2) complexes provide the first examples of coordination of the very weak Lewis base SO(2) to silver(I). The SO(2) molecule in [Ag(OSO)][Al(pftb)(4)] is eta(1)-O coordinated to Ag(+), while the SO(2) ligands in [Ag(OSO)(2/2)][SbF(6)] bridge two Ag(+) ions in an eta(2)-O,O' (trans,trans) manner. [Ag(CH(2)Cl(2))(2)][SbF(6)] contains [Ag(CH(2)Cl(2))(2)](+) ions linked through [SbF(6)](-) ions to give a polymeric structure. The solid-state silver(I) ion affinities (SIA) of SO(2) and CH(2)Cl(2), based on bond lengths and corresponding valence units in the corresponding complexes and tensimetric titrations of Ag[Al(pftb)(4)] and Ag[SbF(6)] with SO(2) vapor, show that SO(2) is a weaker ligand to Ag(+) than the commonly used weakly coordinating solvent CH(2)Cl(2) and indicated that binding strength of SO(2) to silver(I) in the silver(I) salts increases with increasing size of the corresponding counteranion ([Al(pftb)(4)](-)>[SbF(6)](-)). The experimental findings are in good agreement with theoretical gas-phase ligand-binding energies of [Ag(L)(n)](+) (L=SO(2), CH(2)Cl(2); n=1, 2) and solid-state enthalpies obtained from Born-Fajans-Haber cycles by using the volume-based thermodynamics (VBT) approach. Bonding analysis (VB, NBO, MO) of [Ag(L)(n)](+) suggests that these complexes are almost completely stabilized by electrostatic interaction, that is, monopole-dipole interaction, with almost no covalent contribution by electron donation from the ligand orbitals into the vacant 5s orbital of Ag(+). All experimental findings and theoretical considerations demonstrate that SO(2) is less covalently bound to Ag(+) than CH(2)Cl(2) and support the thesis that SO(2) is a polar but non-coordinating solvent towards Ag(+).

A Critique of Behavioral Psychotherapy: The Groundwork for an Integrated Model of Intervention.

ERIC Educational Resources Information Center

Wright, John; Sabourin, Stephane

1984-01-01

Discusses several strengths and weaknesses of the behavioral approach in psychotherapy. Possible remediation of some of the weaknesses are explored through integration of contributions from client-centered or psychodynamic approaches. Risks associated with an integrated model of psychotherapy are considered. (Author)

Adsorption of aromatic hydrocarbons and ozone at environmental aqueous surfaces.

PubMed

Vácha, Robert; Cwiklik, Lukasz; Rezác, Jan; Hobza, Pavel; Jungwirth, Pavel; Valsaraj, Kalliat; Bahr, Stephan; Kempter, Volker

2008-06-05

Adsorption of environmentally important aromatic molecules on a water surface is studied by means of classical and ab initio molecular dynamics simulations and by reflection-absorption infrared spectroscopy. Both techniques show strong activity and orientational preference of these molecules at the surface. Benzene and naphthalene, which bind weakly to water surface with a significant contribution of dispersion interactions, prefer to lie flat on water but retain a large degree of orientational flexibility. Pyridine is more rigid at the surface. It is tilted with the nitrogen end having strong hydrogen bonding interactions with water molecules. The degree of adsorption and orientation of aromatic molecules on aqueous droplets has atmospheric implications for heterogeneous ozonolysis, for which the Langmuir-Hinshelwood kinetics mechanism is discussed. At higher coverages of aromatic molecules the incoming ozone almost does not come into contact with the underlying aqueous phase. This may rationalize the experimental insensitivity of the ozonolysis on the chemical nature of the substrate on which the aromatic molecules adsorb.

Broadband electromagnetic dipole scattering by coupled multiple nanospheres

NASA Astrophysics Data System (ADS)

Jing, Xufeng; Ye, Qiufeng; Hong, Zhi; Zhu, Dongshuo; Shi, Guohua

2017-11-01

With the development of nanotechnology, the ability to manipulate light at the nanoscale is critical to future optical functional devices. The use of high refractive index dielectric single silicon nanoparticle can achieve electromagnetic dipole resonant properties. Compared with single nanosphere, the use of dimer and trimer introduces an additional dimension (gap size) for improving the performance of dielectric optical devices through the coupling between closely connected silicon nanospheres. When changing the gap size between the nanospheres, the interaction between the particles can be from weak to strong. Compared with single nanospheres, dimerized or trimeric nanospheres exhibit more pronounced broadband scattering properties. In addition, by introducing more complex interaction, the trimericed silicon nanospheres exhibit a more significant increase in bandwidth than expected. In addition, the presence of the substrate will also contribute to the increase in the bandwidth of the nanospheres. The broadband response in dielectric nanostructures can be effectively applied to broadband applications such as dielectric nanoantennas or solar cells.

Resolution of 2-chloromandelic acid with (R)-(+)-N-benzyl-1-phenylethylamine: chiral discrimination mechanism.

PubMed

Peng, Yangfeng; He, Quan; Rohani, Sohrab; Jenkins, Hilary

2012-05-01

During the resolution of 2-chloromandelic acid with (R)-(+)-N-benzyl-1-phenylethylamine, the crystals of the less soluble salt were grown, and their structure were determined and presented. The chiral discrimination mechanism was investigated by examining the weak intermolecular interactions (such as hydrogen bond, CH/π, and van der Waals interactions) and molecular packing mode in crystal structure of the less soluble diastereomeric salt. A one-dimensional double-chain hydrogen-bonding network and a "lock-and-key" supramolecular packing mode are disclosed. The investigation demonstrates that hydrophobic layers with corrugated surfaces can fit into the grooves of one another to realize a compact packing, when the molecular structure of resolving agent is much larger than that of the racemate. This "lock-and-key" assembly is recognized to be another characteristic of molecular packing contributing to the chiral discrimination, in addition to the well-known sandwich-like packing by hydrophobic layers with planar boundary surfaces. Copyright © 2012 Wiley Periodicals, Inc.

Greenhouse effect in planetary atmospheres caused by molecular symmetry breaking in intermolecular interactions

NASA Astrophysics Data System (ADS)

Vigasin, A. A.; Mokhov, I. I.

2017-03-01

It is believed that the greenhouse effect is related to the parameters of absorption spectra of polyatomic molecules, usually trace gases, in planetary atmospheres. The main components of all known atmospheres of celestial bodies are symmetrical molecules that do not possess the dipole-allowed purely rotational (and in the case of diatomic molecules, vibrational-rotational) absorption spectrum. Upon increased pressure, a weak absorption appears, induced by intermolecular interaction, which can lead to a greenhouse effect. The contribution of the induced absorption in radiative forcing of a dense atmosphere may amount to a few or even tens of W/m2. In conditions typical for the atmospheres of terrestrial planets (including paleoatmospheres), the collision-induced absorption and associated greenhouse effect may lead to an increase in surface temperature above the freezing point of water. There is a correlation between the temperature of an atmosphere and the intermolecular bonding energy of gases that dominate in planetary atmospheres of the Solar System.

Z boson mediated dark matter beyond the effective theory

DOE PAGES

Kearney, John; Orlofsky, Nicholas; Pierce, Aaron

2017-02-17

Here, direct detection bounds are beginning to constrain a very simple model of weakly interacting dark matter—a Majorana fermion with a coupling to the Z boson. In a particularly straightforward gauge-invariant realization, this coupling is introduced via a higher-dimensional operator. While attractive in its simplicity, this model generically induces a large ρ parameter. An ultraviolet completion that avoids an overly large contribution to ρ is the singlet-doublet model. We revisit this model, focusing on the Higgs blind spot region of parameter space where spin-independent interactions are absent. This model successfully reproduces dark matter with direct detection mediated by the Zmore » boson but whose cosmology may depend on additional couplings and states. Future direct detection experiments should effectively probe a significant portion of this parameter space, aside from a small coannihilating region. As such, Z-mediated thermal dark matter as realized in the singlet-doublet model represents an interesting target for future searches.« less

Trapped one-dimensional ideal Fermi gas with a single impurity

NASA Astrophysics Data System (ADS)

Astrakharchik, G. E.; Brouzos, I.

2013-08-01

Ground-state properties of a single impurity in a one-dimensional Fermi gas are investigated in uniform and trapped geometries. The energy of a trapped system is obtained (i) by generalizing the McGuire expression from a uniform to trapped system (ii) within the local density approximation (iii) using the perturbative approach in the case of a weakly interacting impurity and (iv) diffusion Monte Carlo method. We demonstrate that there is a closed formula based on the exact solution of the homogeneous case which provides a precise estimation for the energy of a trapped system even for a small number of fermions and arbitrary coupling constant of the impurity. Using this expression, we analyze energy contributions from kinetic, interaction, and potential components, as well as spatial properties such as the system size and the pair-correlation function. Finally, we calculate the frequency of the breathing mode. Our analysis is directly connected and applicable to the recent experiments in microtraps.

Waveform Analysis Optimization for the 45Ca Beta Decay Experiment

NASA Astrophysics Data System (ADS)

Whitehead, Ryan; ⁴⁵Ca Collaboration

2017-09-01

The 45Ca experiment is searching for a non-zero Fierz interference term, which would imply a tensor type contribution to the low-energy weak interaction, possibly signaling Beyond-the-Standard-Model (BSM) physics. Beta spectrum measurements are being performed at LANL, using the segmented, large area, Si detectors developed for the Nab and UCNB experiments. 109 events have been recorded, with 38 of the 254 pixels instrumented, during the summers of 2016 and 2017. An important step to extracting the energy spectra is the correction of the waveform for pile-up events. A set of analysis tools has been developed to address this issue. A trapezoidal filter has been characterized and optimized for the experimental waveforms. This filter is primarily used for energy extraction, but, by adjusting certain parameters, it has been modified to identify pile-up events. The efficiency varies with the total energy of the particle and the amount deposited with each detector interaction. Preliminary results of this analysis will be presented.

Oligonucleotide Length-Dependent Formation of Virus-Like Particles.

PubMed

Maassen, Stan J; de Ruiter, Mark V; Lindhoud, Saskia; Cornelissen, Jeroen J L M

2018-05-23

Understanding the assembly pathway of viruses can contribute to creating monodisperse virus-based materials. In this study, the cowpea chlorotic mottle virus (CCMV) is used to determine the interactions between the capsid proteins of viruses and their cargo. The assembly of the capsid proteins in the presence of different lengths of short, single-stranded (ss) DNA is studied at neutral pH, at which the protein-protein interactions are weak. Chromatography, electrophoresis, microscopy, and light scattering data show that the assembly efficiency and speed of the particles increase with increasing length of oligonucleotides. The minimal length required for assembly under the conditions used herein is 14 nucleotides. Assembly of particles containing such short strands of ssDNA can take almost a month. This slow assembly process enabled the study of intermediate states, which confirmed a low cooperative assembly for CCMV and allowed for further expansion of current assembly theories. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

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

PubMed

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

2017-09-12

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

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

PubMed Central

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

2014-01-01

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

Cation specific binding with protein surface charges

PubMed Central

Hess, Berk; van der Vegt, Nico F. A.

2009-01-01

Biological organization depends on a sensitive balance of noncovalent interactions, in particular also those involving interactions between ions. Ion-pairing is qualitatively described by the law of “matching water affinities.” This law predicts that cations and anions (with equal valence) form stable contact ion pairs if their sizes match. We show that this simple physical model fails to describe the interaction of cations with (molecular) anions of weak carboxylic acids, which are present on the surfaces of many intra- and extracellular proteins. We performed molecular simulations with quantitatively accurate models and observed that the order K+ < Na+ < Li+ of increasing binding affinity with carboxylate ions is caused by a stronger preference for forming weak solvent-shared ion pairs. The relative insignificance of contact pair interactions with protein surfaces indicates that thermodynamic stability and interactions between proteins in alkali salt solutions is governed by interactions mediated through hydration water molecules. PMID:19666545

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.

Consume, Modify, Share (CMS): The Interplay between Individual Decisions and Structural Network Properties in the Diffusion of Information

PubMed Central

Koren, Hila; Kaminer, Ido

2016-01-01

Widely used information diffusion models such as Independent Cascade Model, Susceptible Infected Recovered (SIR) and others fail to acknowledge that information is constantly subject to modification. Some aspects of information diffusion are best explained by network structural characteristics while in some cases strong influence comes from individual decisions. We introduce reinvention, the ability to modify information, as an individual level decision that affects the diffusion process as a whole. Based on a combination of constructs from the Diffusion of Innovations and the Critical Mass Theories, the present study advances the CMS (consume, modify, share) model which accounts for the interplay between network structure and human behavior and interactions. The model's building blocks include processes leading up to and following the formation of a critical mass of information adopters and disseminators. We examine the formation of an inflection point, information reach, sustainability of the diffusion process and collective value creation. The CMS model is tested on two directed networks and one undirected network, assuming weak or strong ties and applying constant and relative modification schemes. While all three networks are designed for disseminating new knowledge they differ in structural properties. Our findings suggest that modification enhances the diffusion of information in networks that support undirected connections and carries the biggest effect when information is shared via weak ties. Rogers' diffusion model and traditional information contagion models are fine tuned. Our results show that modifications not only contribute to a sustainable diffusion process, but also aid information in reaching remote areas of the network. The results point to the importance of cultivating weak ties, allowing reciprocal interaction among nodes and supporting the modification of information in promoting diffusion processes. These results have theoretical and practical implications for designing networks aimed at accelerating the creation and diffusion of information. PMID:27798636

Consume, Modify, Share (CMS): The Interplay between Individual Decisions and Structural Network Properties in the Diffusion of Information.

PubMed

Koren, Hila; Kaminer, Ido; Raban, Daphne Ruth

2016-01-01

Widely used information diffusion models such as Independent Cascade Model, Susceptible Infected Recovered (SIR) and others fail to acknowledge that information is constantly subject to modification. Some aspects of information diffusion are best explained by network structural characteristics while in some cases strong influence comes from individual decisions. We introduce reinvention, the ability to modify information, as an individual level decision that affects the diffusion process as a whole. Based on a combination of constructs from the Diffusion of Innovations and the Critical Mass Theories, the present study advances the CMS (consume, modify, share) model which accounts for the interplay between network structure and human behavior and interactions. The model's building blocks include processes leading up to and following the formation of a critical mass of information adopters and disseminators. We examine the formation of an inflection point, information reach, sustainability of the diffusion process and collective value creation. The CMS model is tested on two directed networks and one undirected network, assuming weak or strong ties and applying constant and relative modification schemes. While all three networks are designed for disseminating new knowledge they differ in structural properties. Our findings suggest that modification enhances the diffusion of information in networks that support undirected connections and carries the biggest effect when information is shared via weak ties. Rogers' diffusion model and traditional information contagion models are fine tuned. Our results show that modifications not only contribute to a sustainable diffusion process, but also aid information in reaching remote areas of the network. The results point to the importance of cultivating weak ties, allowing reciprocal interaction among nodes and supporting the modification of information in promoting diffusion processes. These results have theoretical and practical implications for designing networks aimed at accelerating the creation and diffusion of information.

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.

Waiting for the W and the Higgs

DOE PAGES

Tannenbaum, Michael J.

2016-10-06

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

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

NASA Astrophysics Data System (ADS)

Anishetty, Ramesh; Sreeraj, T. P.

2018-04-01

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

Waiting for the W. and the Higgs

NASA Astrophysics Data System (ADS)

Tannenbaum, M. J.

2016-12-01

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

Weak measurements beyond the Aharonov-Albert-Vaidman formalism

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

Wu Shengjun; Li Yang

2011-05-15

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

Topology association analysis in weighted protein interaction network for gene prioritization

NASA Astrophysics Data System (ADS)

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

2016-11-01

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

The intermolecular interaction in D2 - CX4 and O2 - CX4 (X = F, Cl) systems: Molecular beam scattering experiments as a sensitive probe of the selectivity of charge transfer component.

PubMed

Cappelletti, David; Falcinelli, Stefano; Pirani, Fernando

2016-10-07

Gas phase collisions of a D 2 projectile by CF 4 and by CCl 4 targets have been investigated with the molecular beam technique. The integral cross section, Q, has been measured for both collisional systems in the thermal energy range and oscillations due to the quantum "glory" interference have been resolved in the velocity dependence of Q. The analysis of the measured Q(v) data provided novel information on the anisotropic potential energy surfaces of the studied systems at intermediate and large separation distances. The relative role of the most relevant types of contributions to the global interaction has been characterized. Extending the phenomenology of a weak intermolecular halogen bond, the present work demonstrates that while D 2 - CF 4 is basically bound through the balance between size (Pauli) repulsion and dispersion attraction, an appreciable intermolecular bond stabilization by charge transfer is operative in D 2 - CCl 4 . We also demonstrated that the present analysis is consistent with that carried out for the F( 2 P)-D 2 and Cl( 2 P)-D 2 systems, previously characterized by scattering experiments performed with state-selected halogen atom beams. A detailed comparison of the present and previous results on O 2 -CF 4 and O 2 -CCl 4 systems pinpointed striking differences in the behavior of hydrogen and oxygen molecules when they interact with the same partner, mainly due to the selectivity of the charge transfer component. The present work contributes to cast light on the nature and role of the intermolecular interaction in prototype systems, involving homo-nuclear diatoms and symmetric halogenated molecules.

Lysines in the RNA Polymerase II C-Terminal Domain Contribute to TAF15 Fibril Recruitment.

PubMed

Janke, Abigail M; Seo, Da Hee; Rahmanian, Vahid; Conicella, Alexander E; Mathews, Kaylee L; Burke, Kathleen A; Mittal, Jeetain; Fawzi, Nicolas L

2018-05-01

Many cancer-causing chromosomal translocations result in transactivating protein products encoding FET family (FUS, EWSR1, TAF15) low-complexity (LC) domains fused to a DNA binding domain from one of several transcription factors. Recent work demonstrates that higher-order assemblies of FET LC domains bind the carboxy-terminal domain of the large subunit of RNA polymerase II (RNA pol II CTD), suggesting FET oncoproteins may mediate aberrant transcriptional activation by recruiting RNA polymerase II to promoters of target genes. Here we use nuclear magnetic resonance (NMR) spectroscopy and hydrogel fluorescence microscopy localization and fluorescence recovery after photobleaching to visualize atomic details of a model of this process, interactions of RNA pol II CTD with high-molecular weight TAF15 LC assemblies. We report NMR resonance assignments of the intact degenerate repeat half of human RNA pol II CTD alone and verify its predominant intrinsic disorder by molecular simulation. By measuring NMR spin relaxation and dark-state exchange saturation transfer, we characterize the interaction of RNA pol II CTD with amyloid-like hydrogel fibrils of TAF15 and hnRNP A2 LC domains and observe that heptads far from the acidic C-terminal tail of RNA pol II CTD bind TAF15 fibrils most avidly. Mutation of CTD lysines in heptad position 7 to consensus serines reduced the overall level of TAF15 fibril binding, suggesting that electrostatic interactions contribute to complex formation. Conversely, mutations of position 7 asparagine residues and truncation of the acidic tail had little effect. Thus, weak, multivalent interactions between TAF15 fibrils and heptads throughout RNA pol II CTD collectively mediate complex formation.

Planetary and synoptic-scale interactions during the life cycle of a mid-latitude blocking anticyclone over the North Atlantic

NASA Technical Reports Server (NTRS)

Smith, Phillip J.

1995-01-01

The formation of a blocking anticyclone over the North Atlantic has been examined over its entire life-CyCle using the Zwack-Okossi (Z-O) equation as the diagnostic tool. This blocking anticyclone occurred in late October and early November of 1985. The data used were provided by the NASA Goddard Laboratory for Atmospheres on a global 2.O degree latitude by 2.5 degree longitudinal grid. The horizontal distribution of the atmospheric forcing mechanisms that were important to 500 mb block formation, maintenance and decay were examined. A scale-partitioned form of the Z-O equation was then used to examine the relative importance of forcing on the planetary and synoptic scales, and their interactions. As seen in previous studies, the results presented here show that upper tropospheric anticyclonic vorticity advection was the most important contributor to block formation and maintenance. However, adiabatic warming, and vorticity tilting were also important at various times during the block lifetime. In association with precursor surface cyclogenesis, the 300 mb jet streak in the downstream (upstream) from a long-wave trough (ridge) amplified significantly. This strengthening of the jet streak enhanced the anti-cyclonic vorticity advection field that aided the amplification of a 500 mb short-wave ridge. Tile partitioned height tendency results demonstrate that the interactions between the planetary and sn,noptic-scale through vorticity advection was the most important contributor to block formation. Planetary-scale, synoptic-scale. and their interactions contributed weakly to the maintenance of the blocking anticyclone with the advection of synoptic-scale vorticity by the planetary-scale flow playing a more important role. Planetary-scale decay ofthe long-wave ridge contributed to the demise of this blocking event.

Electrostatic study of Alanine mutational effects on transcription: application to GATA-3:DNA interaction complex.

PubMed

El-Assaad, Atlal; Dawy, Zaher; Nemer, Georges

2015-01-01

Protein-DNA interaction is of fundamental importance in molecular biology, playing roles in functions as diverse as DNA transcription, DNA structure formation, and DNA repair. Protein-DNA association is also important in medicine; understanding Protein-DNA binding kinetics can assist in identifying disease root causes which can contribute to drug development. In this perspective, this work focuses on the transcription process by the GATA Transcription Factor (TF). GATA TF binds to DNA promoter region represented by `G,A,T,A' nucleotides sequence, and initiates transcription of target genes. When proper regulation fails due to some mutations on the GATA TF protein sequence or on the DNA promoter sequence (weak promoter), deregulation of the target genes might lead to various disorders. In this study, we aim to understand the electrostatic mechanism behind GATA TF and DNA promoter interactions, in order to predict Protein-DNA binding in the presence of mutations, while elaborating on non-covalent binding kinetics. To generate a family of mutants for the GATA:DNA complex, we replaced every charged amino acid, one at a time, with a neutral amino acid like Alanine (Ala). We then applied Poisson-Boltzmann electrostatic calculations feeding into free energy calculations, for each mutation. These calculations delineate the contribution to binding from each Ala-replaced amino acid in the GATA:DNA interaction. After analyzing the obtained data in view of a two-step model, we are able to identify potential key amino acids in binding. Finally, we applied the model to GATA-3:DNA (crystal structure with PDB-ID: 3DFV) binding complex and validated it against experimental results from the literature.

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

Sticky ions in biological systems.

PubMed Central

Collins, K D

1995-01-01

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

Weak localization of magnons in chiral magnets

NASA Astrophysics Data System (ADS)

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

2018-05-01

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

Quantum counterfactual communication without a weak trace

NASA Astrophysics Data System (ADS)

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

2016-12-01

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

Guided-mode interactions in thin films with surface corrugation

NASA Astrophysics Data System (ADS)

Seshadri, S. R.

1994-12-01

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

REMARKS ON COMPOUND MODELS, CONSERVED CURRENTS AND WEAK INTERACTIONS

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

Mayer, M.E.

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

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

NASA Astrophysics Data System (ADS)

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

2018-04-01

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

Exploring the limits of the self-consistent Born approximation for inelastic electronic transport

NASA Astrophysics Data System (ADS)

Lee, William; Jean, Nicola; Sanvito, Stefano

2009-02-01

The nonequilibrium Green’s function formalism is today the standard computational method for describing elastic transport in molecular devices. This can be extended to include inelastic scattering by the so-called self-consistent Born approximation (SCBA), where the interaction of the electrons with the vibrations of the molecule is assumed to be weak and it is treated perturbatively. The validity of such assumption and therefore of the SCBA is difficult to establish with certainty. In this work we explore the limitations of the SCBA by using a simple tight-binding model with the electron-phonon coupling strength α chosen as a free parameter. As model devices we consider Au monatomic chains and a H2 molecule sandwiched between Pt electrodes. In both cases, our self-consistent calculations demonstrate a breakdown of the SCBA for large α and we identify a weak and a strong-coupling regime. For weak coupling our SCBA results compare closely with those obtained with exact scattering theory. However in the strong-coupling regime large deviations are found. In particular we demonstrate that there is a critical coupling strength, characteristic of the materials system, beyond which multiple self-consistent solutions can be found depending on the initial conditions in the simulation. These are entirely due to the large contribution of the Hartree self-energy and completely disappear when this is neglected. We attribute this feature to the breakdown of the perturbative expansion leading to the SCBA.

Resolving the conundrum of inbreeding depression but no inbreeding avoidance: Estimating sex-specific selection on inbreeding by song sparrows (Melospiza melodia).

PubMed

Reid, Jane M; Arcese, Peter; Bocedi, Greta; Duthie, A Bradley; Wolak, Matthew E; Keller, Lukas F

2015-11-01

Inbreeding avoidance among interacting females and males is not always observed despite inbreeding depression in offspring fitness, creating an apparent "inbreeding paradox." This paradox could be resolved if selection against inbreeding was in fact weak, despite inbreeding depression. However, the net magnitude and direction of selection on the degree to which females and males inbreed by pairing with relatives has not been explicitly estimated. We used long-term pedigree data to estimate phenotypic selection gradients on the degree of inbreeding that female and male song sparrows (Melospiza melodia) expressed by forming socially persistent breeding pairs with relatives. Fitness was measured as the total numbers of offspring and grand offspring contributed to the population, and as corresponding expected numbers of identical-by-descent allele copies, thereby accounting for variation in offspring survival, reproduction, and relatedness associated with variation in parental inbreeding. Estimated selection gradients on the degree to which individuals paired with relatives were weakly positive in females, but negative in males that formed at least one socially persistent pairing. However, males that paired had higher mean fitness than males that remained socially unpaired. These analyses suggest that net selection against inbreeding may be weak in both sexes despite strong inbreeding depression, thereby resolving the "inbreeding paradox." © 2015 The Author(s). Evolution published by Wiley Periodicals, Inc. on behalf of The Society for the Study of Evolution.

Electronic Structure and Magnetic Interactions in the Radical Salt [BEDT-TTF]2[CuCl4].

PubMed

Calzado, Carmen J; Rodríguez-García, Bárbara; Galán Mascarós, José Ramón; Hernández, Norge Cruz

2018-06-07

The magnetic behavior and electric properties of the hybrid radical salt [BEDT-TTF] 2 [CuCl 4 ] have been revisited through extended experimental analyses and DDCI and periodic DFT plane waves calculations. Single crystal X-ray diffraction data have been collected at different temperatures, discovering a phase transition occurring in the 250-300 K range. The calculations indicate the presence of intradimer, interdimer, and organic-inorganic π-d interactions in the crystal, a magnetic pattern much more complex than the Bleaney-Bowers model initially assigned to this material. Although this simple model was good enough to reproduce the magnetic susceptibility data, our calculations demonstrate that the actual magnetic structure is significantly more intricate, with alternating antiferromagnetic 1D chains of the organic BEDT-TTF + radical, connected through weak antiferromagnetic interactions with the CuCl 4 2- ions. Combination of experiment and theory allowed us to unambiguously determine and quantify the leading magnetic interactions in the system. The density-of-states curves confirm the semiconductor nature of the system and the dominant organic contribution of the valence and conduction band edges. This general and combined approach appears to be fundamental in order to properly understand the magnetic structure of these complex materials, where experimental data can actually be fitted from a variety of models and parameters.

Structure-Energy Relationships of Halogen Bonds in Proteins.

PubMed

Scholfield, Matthew R; Ford, Melissa Coates; Carlsson, Anna-Carin C; Butta, Hawera; Mehl, Ryan A; Ho, P Shing

2017-06-06

The structures and stabilities of proteins are defined by a series of weak noncovalent electrostatic, van der Waals, and hydrogen bond (HB) interactions. In this study, we have designed and engineered halogen bonds (XBs) site-specifically to study their structure-energy relationship in a model protein, T4 lysozyme. The evidence for XBs is the displacement of the aromatic side chain toward an oxygen acceptor, at distances that are equal to or less than the sums of their respective van der Waals radii, when the hydroxyl substituent of the wild-type tyrosine is replaced by a halogen. In addition, thermal melting studies show that the iodine XB rescues the stabilization energy from an otherwise destabilizing substitution (at an equivalent noninteracting site), indicating that the interaction is also present in solution. Quantum chemical calculations show that the XB complements an HB at this site and that solvent structure must also be considered in trying to design molecular interactions such as XBs into biological systems. A bromine substitution also shows displacement of the side chain, but the distances and geometries do not indicate formation of an XB. Thus, we have dissected the contributions from various noncovalent interactions of halogens introduced into proteins, to drive the application of XBs, particularly in biomolecular design.

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.

Chemical Interactions of Polyethylene Glycols (PEG) and Glycerol with Protein Functional Groups: Applications to PEG, Glycerol Effects on Protein Processes

PubMed Central

Knowles, DB; Shkel, Irina A; Phan, Noel M; Sternke, Matt; Lingeman, Emily; Cheng, Xian; Cheng, Lixue; O’Connor, Kevin; Record, M. Thomas

2015-01-01

Here we obtain the data needed to predict chemical interactions of polyethylene glycols (PEGs) and glycerol with proteins and related organic compounds, and thereby interpret or predict chemical effects of PEGs on protein processes. To accomplish this we determine interactions of glycerol and tetraEG with >30 model compounds displaying the major C, N, and O functional groups of proteins. Analysis of these data yields coefficients (α-values) quantifying interactions of glycerol, tetraEG and PEG end (-CH2OH) and interior (-CH2OCH2-) groups with these groups, relative to interactions with water. TetraEG (strongly) and glycerol (weakly) interact favorably with aromatic C, amide N, and cationic N, but unfavorably with amide O, carboxylate O and salt ions. Strongly unfavorable O and salt anion interactions help make both small and large PEGs effective protein precipitants. Interactions of tetraEG and PEG interior groups with aliphatic C are quite favorable, while interactions of glycerol and PEG end groups with aliphatic C are not. Hence tetraEG and PEG 300 favor unfolding of the DNA-binding domain of lac repressor (lacDBD) while glycerol, di- and mono-ethylene glycol are stabilizers. Favorable interactions with aromatic and aliphatic C explain why PEG400 greatly increases the solubility of aromatic hydrocarbons and steroids. PEG400-steroid interactions are unusually favorable, presumably because of simultaneous interactions of multiple PEG interior groups with the fused ring system of the steroid. Using α-values reported here, chemical contributions to PEG m-values can be predicted or interpreted in terms of changes in water-accessible surface area (ΔASA), and separated from excluded volume effects. PMID:25962980

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.

Estrogenic Activities of Fatty Acids and a Sterol Isolated from Royal Jelly

PubMed Central

Isohama, Yoichiro; Maruyama, Hiroe; Yamada, Yayoi; Narita, Yukio; Ohta, Shozo; Araki, Yoko; Miyata, Takeshi; Mishima, Satoshi

2008-01-01

We have previously reported that royal jelly (RJ) from honeybees (Apis mellifera) has weak estrogenic activity mediated by interaction with estrogen receptors that leads to changes in gene expression and cell proliferation. In this study, we isolated four compounds from RJ that exhibit estrogenic activity as evaluated by a ligand-binding assay for the estrogen receptor (ER) β. These compounds were identified as 10-hydroxy-trans-2-decenoic acid, 10-hydroxydecanoic acid, trans-2-decenoic acid and 24-methylenecholesterol. All these compounds inhibited binding of 17β-estradiol to ERβ, although more weakly than diethylstilbestrol or phytoestrogens. However, these compounds had little or no effect on the binding of 17β-estradiol to ERα. Expression assays suggested that these compounds activated ER, as evidenced by enhanced transcription of a reporter gene containing an estrogen-responsive element. Treatment of MCF-7 cells with these compounds enhanced their proliferation, but concomitant treatment with tamoxifen blocked this effect. Exposure of immature rats to these compounds by subcutaneous injection induced mild hypertrophy of the luminal epithelium of the uterus, but was not associated with an increase in uterine weight. These findings provide evidence that these compounds contribute to the estrogenic effect of RJ. PMID:18830443

The MOLLER Experiment: ``An Ultra-precise Measurement of the Weak Charge of the Electron using moller Scattering''

NASA Astrophysics Data System (ADS)

Beminiwattha, Rakitha; Moller Collaboration

2017-09-01

Parity Violating Electron Scattering (PVES) is an extremely successful precision frontier tool that has been used for testing the Standard Model (SM) and understanding nucleon structure. Several generations of highly successful PVES programs at SLAC, MIT-Bates, MAMI-Mainz, and Jefferson Lab have contributed to the understanding of nucleon structure and testing the SM. But missing phenomena like matter-antimatter asymmetry, neutrino flavor oscillations, and dark matter and energy suggest that the SM is only a `low energy' effective theory. The MOLLER experiment at Jefferson Lab will measure the weak charge of the electron, QWe = 1 - 4sin2θW , with a precision of 2.4 % by measuring the parity violating asymmetry in electron-electron () scattering and will be sensitive to subtle but measurable deviations from precisely calculable predictions from the SM. The MOLLER experiment will provide the best contact interaction search for leptons at low OR high energy makes it a probe of physics beyond the Standard Model with sensitivities to mass-scales of new PV physics up to 7.5 TeV. Overview of the experiment and recent pre-R&D progress will be reported.

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.

Molecular Theory and Simulation of Water-Oil Contacts

NASA Astrophysics Data System (ADS)

Tan, Liang

The statistical mechanical theory of hydrophobic interactions was initiated decades ago for purely repulsive hydrophobic species, in fact, originally for hard-sphere solutes in liquid water. Systems which treat only repulsive solute-water interactions obviously differ from the real world situation. The issue of the changes to be expected from inclusion of realistic attractive solute-water interactions has been of specific interest also for decades. We consider the local molecular field (LMF) theory for the effects of solute attractive forces on hydrophobic interactions. The principal result of LMF theory is outlined, then tested by obtaining radial distribution functions (rdfs) for Ar atoms in water, with and without attractive interactions distinguished by the Weeks-Chandler-Andersen (WCA) separation. Change from purely repulsive atomic solute interactions to include realistic attractive interactions substantially diminishes the strength of hydrophobic bonds. Since attractions make a big contribution to hydrophobic interactions, Pratt-Chandler theory, which did not include attractions, should not be naively compared to computer simulation results with general physical interactions, including attractions. Lack of general appreciation of this point has lead to mistaken comparisons throughout the history of this subject. The rdfs permit evaluation of osmotic second virial coefficients B2. Those B 2 are consistent with the conclusion that incorporation of attractive interactions leads to more positive (repulsive) values. In all cases here, B2 becomes more attractive with increasing temperature below T = 360K, the so-call inverse temperature behavior. In 2010, the Gulf of Mexico Macondo well (Deepwater Horizon) oil spill focused the attention of the world on water-oil phase equilibrium. In response to the disaster, chemical dispersants were applied to break oil slicks into droplets and thus to avoid large-scale fouling of beaches and to speed up biodegradation. Eventually the dispersant COREXIT 9500 was used predominantly in responding to this accident. The formulation of COREXIT dispersants is somewhat complicated and the various constituents (and their interactions) deserve exhaustive study. Here we focus on sorbitan monooleate (SPAN80), one important component of COREXIT 9500, and we investigate its behavior in oil-water-surfactant systems. Extensive all-atom molecular dynamics calculations on the water-squalane interface for nine different loadings with SPAN80, at T = 300K, are analyzed for the surface tension equation of state, desorption free energy profiles as they depend on loading, and to evaluate escape times for absorbed SPAN80 into the bulk phases. These results suggest that loading only weakly affects accommodation of a SPAN80 molecule by this squalane-water interface. Specifically, the surface tension equation of state is simple from conditions of low loading (high tension) to high loading (lower tension) studied, and the desorption free energy profiles are weakly dependent on loading here. The perpendicular motion of the centroid of the SPAN80 head-group ring is well-described by a diffusional model near the minimum of the desorption free energy profile. Lateral diffusional motion is weakly dependent on loading. Escape times evaluated on the basis of a diffusional model and the desorption free energies are 0.07 s (into the squalane) and 300 h (into the water). The latter value is consistent with irreversible absorption observed by related experimental work.

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.

Molecular insight into the enhancement of benzene-carbon nanotube interactions by surface modification for drug delivery systems (DDS)

NASA Astrophysics Data System (ADS)

Zhao, Jianghao; Liu, Xiaoshan; Zhu, Zhu; Wang, Ning; Sun, Wenjing; Chen, Congmei; He, Zhiwei

2017-09-01

Anthracyclines are effective anticancer drugs but have drawbacks including systemic toxicity and drug resistance. Delivering them directly to the tumor may improve therapeutic efficacy and reduce adverse effects. Carbon nanotubes (CNTs) can act as excellent drug delivery systems (DDS), but pristine CNTs have inert surfaces, which contributes poor drug loading capacity and limits dispersion. In this study, we designed a series of functionalized CNTs (f-CNTs) with anchored hydrophilic groups (OH, COOH, and NH2) by substitutional doping of the CNT lattice (DNT) using N or B atoms or the combination of both. The aromatic compound benzene (Ben) was selected as a model for anthracycline drugs. The effect of CNT curvature, chemical groups (CGs), and doping on the Ben-CNTs interactions was studied using quantum chemistry calculations. Our results show that π-π interactions between Ben and CNTs are influenced by CNT curvature. When the CNTs were functionalized only with CGs and not doped, the system was unstable, resulting in weak Ben-CNT interactions. However, anchoring CGs on DNTs greatly enhanced the Ben-CNT interactions. CNTs with good affinity for drug molecules, improved solubility, and lower tendency to aggregate have potential as DDS for enhancing the efficacy of medicines. We believe that these studies have general applicability and anticipate that our findings will motivate additional theoretical and experimental studies on the biology and chemistry of CNTs as DDS.

Orbital-dependent Electron-Hole Interaction in Graphene and Associated Multi-Layer Structures

PubMed Central

Deng, Tianqi; Su, Haibin

2015-01-01

We develop an orbital-dependent potential to describe electron-hole interaction in materials with structural 2D character, i.e. quasi-2D materials. The modulated orbital-dependent potentials are also constructed with non-local screening, multi-layer screening, and finite gap due to the coupling with substrates. We apply the excitonic Hamiltonian in coordinate-space with developed effective electron-hole interacting potentials to compute excitons’ binding strength at M (π band) and Γ (σ band) points in graphene and its associated multi-layer forms. The orbital-dependent potential provides a range-separated property for regulating both long- and short-range interactions. This accounts for the existence of the resonant π exciton in single- and bi-layer graphenes. The remarkable strong electron-hole interaction in σ orbitals plays a decisive role in the existence of σ exciton in graphene stack at room temperature. The interplay between gap-opening and screening from substrates shed a light on the weak dependence of σ exciton binding energy on the thickness of graphene stacks. Moreover, the analysis of non-hydrogenic exciton spectrum in quasi-2D systems clearly demonstrates the remarkable comparable contribution of orbital dependent potential with respect to non-local screening process. The understanding of orbital-dependent potential developed in this work is potentially applicable for a wide range of materials with low dimension. PMID:26610715

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.

Let's get technical! Gaming and technology for weight control and health promotion in children.

PubMed

Baranowski, Tom; Frankel, Leslie

2012-02-01

Most children, including lower socioeconomic status and ethnic minority children, play video games, use computers, and have cell phones, and growing numbers have smart phones and electronic tablets. They are comfortable with, even prefer, electronic media. Many expect to be entertained and have a low tolerance for didactic methods. Thus, health promotion with children needs to incorporate more interactive media. Interactive media for weight control and health promotion among children can be broadly classified into web-based educational/therapeutic programs, tailored motivational messaging systems, data monitoring and feedback systems, active video games, and diverse forms of interactive multimedia experiences involving games. This article describes the primary characteristics of these different technological methods; presents the strengths and weaknesses of each in meeting the needs of children of different ages; emphasizes that we are in the earliest stages of knowing how best to design these systems, including selecting the optimal requisite behavioral change theories; and identifies high-priority research issues. Gaming and technology offer many exciting, innovative opportunities for engaging children and promoting diet and physical activity changes that can contribute to obesity prevention and weight loss maintenance. Research needs to clarify optimal procedures for effectively promoting change with each change procedure.

Resonant electronic excitation energy transfer by exchange mechanism in the quantum dot system

NASA Astrophysics Data System (ADS)

Chikalova-Luzina, O. P.; Samosvat, D. M.; Vyatkin, V. M.; Zegrya, G. G.

2017-11-01

A microscopic theory of nonradiative resonance energy transfer between spherical A3B5 semiconductor quantum dots by the exchange mechanism is suggested. The interdot Coulomb interaction is taken into consideration. It is assumed that the quantum dot-donor and the quantum dot-acceptor are made from the same A3B5 compound and are embedded in the matrix of another material that produces potential barriers for electrons and holes. The dependences of the energy transfer rate on the quantum-dot system parameters are found in the frame of the Kane model that provides the most adequate description of the real spectra of A3B5 semiconductors. The analytical treatment is carried out with using the density matrix method, which enabled us to perform an energy transfer analysis both in the weak-interaction approximation and in the strong-interaction approximation. The numerical calculations showed the saturation of the energy transfer rate at the distances between the donor and the acceptor approaching the contact one. The contributions of the exchange and direct Coulomb intractions can be of the same order at the small distances and can have the same value in the saturation range.

Early Exercise Rehabilitation of Muscle Weakness in Acute Respiratory Failure Patients

PubMed Central

Berry, Michael J.; Morris, Peter E.

2013-01-01

Acute Respiratory Failure patients experience significant muscle weakness which contributes to prolonged hospitalization and functional impairments post-hospital discharge. Based on our previous work, we hypothesize that an exercise intervention initiated early in the intensive care unit aimed at improving skeletal muscle strength could decrease hospital stay and attenuate the deconditioning and skeletal muscle weakness experienced by these patients. Summary Early exercise has the potential to decrease hospital length of stay and improve function in Acute Respiratory Failure patients. PMID:23873130

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.

Rehabilitation in practice: management of lower motor neuron weakness.

PubMed

Ramdharry, Gita M

2010-05-01

This series of articles for rehabilitation in practice aims to cover a knowledge element of the rehabilitation medicine curriculum. Nevertheless they are intended to be of interest to a multidisciplinary audience. The competency addressed in this article is 'The trainee consistently demonstrates a knowledge of the pathophysiology of various specific impairments including lower motor neuron weakness' and 'management approaches for specific impairments including lower motor neuron weakness'.This article explores weakness as a lower motor symptom. Weakness as a primary impairment of neuromuscular diseases is addressed, with recognition of the phenomenon of disuse atrophy, and how weakness impacts on the functional abilities of people with myopathy and neuropathy. Interventions to reduce weakness or address the functional consequences of weakness are evaluated with consideration of safety and clinical application. This paper will allow readers to: (1) appraise the contribution of research in rehabilitation of lower motor neuron weakness to clinical decision making and (2) engage with the issues that arise when researching rehabilitation interventions for lower motor neuron weakness. Impairments associated with neuromuscular conditions can lead to significant functional difficulties that can impact on a person's daily participation. This article focuses on the primary impairment of weakness and explores the research evidence for rehabilitation interventions that directly influence weakness or address the impact of weakness on function.

Role of analgesics, sedatives, neuromuscular blockers, and delirium.

PubMed

Hall, Jesse B; Schweickert, William; Kress, John P

2009-10-01

A major focus on critical care medicine concerns the institution of life-support therapies, such as mechanical ventilation, during periods of organ failure to permit a window of opportunity to diagnose and treat underlying disorders so that patients may be returned to their prior functional status upon recovery. With the growing success of these intensive care unit-based therapies and longer-term follow-up of patients, severe weakness involving the peripheral nervous system and muscles has been identified in many recovering patients, often confounding the time course or magnitude of recovery. Mechanical ventilation is often accompanied by pharmacologic treatments including analgesics, sedatives, and neuromuscular blockers. These drugs and the encephalopathies accompanying some forms of critical illness result in a high prevalence of delirium in mechanically ventilated patients. These drug effects likely contribute to an impaired ability to assess the magnitude of intensive care unit-acquired weakness, to additional time spent immobilized and mechanically ventilated, and to additional weakness from the patient's relative immobility and bedridden state. This review surveys recent literature documenting these relationships and identifying approaches to minimize pharmacologic contributions to intensive care unit-acquired weakness.

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.

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.…

Impaired Organization and Function of Myofilaments in Single Muscle Fibers from a Mouse Model of Pompe Disease

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

Xu, S.; Galperin, M; Melvin, G

Pompe disease, a deficiency of lysosomal acid {alpha}-glucosidase, is a disorder of glycogen metabolism that can affect infants, children, or adults. In all forms of the disease, there is progressive muscle pathology leading to premature death. The pathology is characterized by accumulation of glycogen in lysosomes, autophagic buildup, and muscle atrophy. The purpose of the present investigation was to determine if myofibrillar dysfunction in Pompe disease contributes to muscle weakness beyond that attributed to atrophy. The study was performed on isolated myofibers dissected from severely affected fast glycolytic muscle in the {alpha}-glucosidase knockout mouse model. Psoas muscle fibers were firstmore » permeabilized, so that the contractile proteins could be directly relaxed or activated by control of the composition of the bathing solution. When normalized by cross-sectional area, single fibers from knockout mice produced 6.3 N/cm{sup 2} of maximum Ca{sup 2+}-activated tension compared with 12.0 N/cm{sup 2} produced by wild-type fibers. The total protein concentration was slightly higher in the knockout mice, but concentrations of the contractile proteins myosin and actin remained unchanged. Structurally, X-ray diffraction showed that the actin and myosin filaments, normally arranged in hexagonal arrays, were disordered in the knockout muscle, and a lower fraction of myosin cross bridges was near the actin filaments in the relaxed muscle. The results are consistent with a disruption of actin and myosin interactions in the knockout muscles, demonstrating that impaired myofibrillar function contributes to weakness in the diseased muscle fibers.« less

Using the Weak-Temperature Gradient Approximation to Evaluate Parameterizations: An Example of the Transition From Suppressed to Active Convection

NASA Astrophysics Data System (ADS)

Daleu, C. L.; Plant, R. S.; Woolnough, S. J.

2017-10-01

Two single-column models are fully coupled via the weak-temperature gradient approach. The coupled-SCM is used to simulate the transition from suppressed to active convection under the influence of an interactive large-scale circulation. The sensitivity of this transition to the value of mixing entrainment within the convective parameterization is explored. The results from these simulations are compared with those from equivalent simulations using coupled cloud-resolving models. Coupled-column simulations over nonuniform surface forcing are used to initialize the simulations of the transition, in which the column with suppressed convection is forced to undergo a transition to active convection by changing the local and/or remote surface forcings. The direct contributions from the changes in surface forcing are to induce a weakening of the large-scale circulation which systematically modulates the transition. In the SCM, the contributions from the large-scale circulation are dominated by the heating effects, while in the CRM the heating and moistening effects are about equally divided. A transition time is defined as the time when the rain rate in the dry column is halfway to the value at equilibrium after the transition. For the control value of entrainment, the order of the transition times is identical to that obtained in the CRM, but the transition times are markedly faster. The locally forced transition is strongly delayed by a higher entrainment. A consequence is that for a 50% higher entrainment the transition times are reordered. The remotely forced transition remains fast while the locally forced transition becomes slow, compared to the CRM.

Comparative Analysis of Arabidopsis Ecotypes Reveals a Role for Brassinosteroids in Root Hydrotropism1[OPEN

PubMed Central

Wang, Meng; Yuan, Wei; Ren, Yan; Li, Ying; Zhang, Na; Kronzucker, Herbert J.

2018-01-01

Plant roots respond to soil moisture gradients and remodel their growth orientation toward water through hydrotropism, a process vital for acclimation to a changing soil environment. Mechanisms underlying the root hydrotropic response, however, remain poorly understood. Here, we examined hydrotropism in 31 Arabidopsis (Arabidopsis thaliana) ecotypes collected from different parts of the world and grown along moisture gradients in a specially designed soil-simulation system. Comparative transcriptome profiling and physiological analyses were carried out on three selected ecotypes, Wassilewskija (Ws), Columbia (Col-0) (strongly hydrotropic), Col-0 (moderately hydrotropic), and C24 (weakly hydrotropic), and in mutant lines with altered root hydrotropic responses. We show that H+ efflux, Ca2+ influx, redox homeostasis, epigenetic regulation, and phytohormone signaling may contribute to root hydrotropism. Among phytohormones, the role of brassinosteroids (BRs) was examined further. In the presence of an inhibitor of BR biosynthesis, the strong hydrotropic response observed in Ws was reduced. The root H+ efflux and primary root elongation also were inhibited when compared with C24, an ecotype that showed a weak hydrotropic response. The BR-insensitive mutant bri1-5 displayed higher rates of root growth inhibition and root curvature on moisture gradients in vertical or oblique orientation when compared with wild-type Ws. We also demonstrate that BRI1 (a BR receptor) interacts with AHA2 (a plasma membrane H+-ATPase) and that their expression patterns are highly coordinated. This synergistic action may contribute to the strong hydrotropism observed in Ws. Our results suggest that BR-associated H+ efflux is critical in the hydrotropic response of Arabidopsis roots. PMID:29439211

Selective functional interactions between excitatory and inhibitory cortical neurons and differential contribution to persistent activity of the slow oscillation.

PubMed

Tahvildari, Babak; Wölfel, Markus; Duque, Alvaro; McCormick, David A

2012-08-29

The neocortex depends upon a relative balance of recurrent excitation and inhibition for its operation. During spontaneous Up states, cortical pyramidal cells receive proportional barrages of excitatory and inhibitory synaptic potentials. Many of these synaptic potentials arise from the activity of nearby neurons, although the identity of these cells is relatively unknown, especially for those underlying the generation of inhibitory synaptic events. To address these fundamental questions, we developed an in vitro submerged slice preparation of the mouse entorhinal cortex that generates robust and regular spontaneous recurrent network activity in the form of the slow oscillation. By performing whole-cell recordings from multiple cell types identified with green fluorescent protein expression and electrophysiological and/or morphological properties, we show that distinct functional subpopulations of neurons exist in the entorhinal cortex, with large variations in contribution to the generation of balanced excitation and inhibition during the slow oscillation. The most active neurons during the slow oscillation are excitatory pyramidal and inhibitory fast spiking interneurons, receiving robust barrages of both excitatory and inhibitory synaptic potentials. Weak action potential activity was observed in stellate excitatory neurons and somatostatin-containing interneurons. In contrast, interneurons containing neuropeptide Y, vasoactive intestinal peptide, or the 5-hydroxytryptamine (serotonin) 3a receptor, were silent. Our data demonstrate remarkable functional specificity in the interactions between different excitatory and inhibitory cortical neuronal subtypes, and suggest that it is the large recurrent interaction between pyramidal neurons and fast spiking interneurons that is responsible for the generation of persistent activity that characterizes the depolarized states of the cortex.

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.

Structure and stability of the N-hydroxyurea dimer: Post-Hartree-Fock quantum mechanical study

NASA Astrophysics Data System (ADS)

Jabalameli, Ali; Venkatraman, Ramaiyer; Nowek, Andrzej; Sullivan, Richard H.

2000-10-01

The potential energy surface (PES) search of the N-hydroxyurea dimer was searched with second-order Møller-Plesset perturbation theory (MP2) and the 6-31G(d,p) basis set. Eight local minimum energy structures have been found. Four of them have relatively strong (ΔE˜-10 to -13 kcal/mol) intermolecular interactions and the others are moderately strongly interacting species (ΔE˜-3 to -7 kcal/mol). Final estimation of interaction energies was performed using the larger 6-311G(df,pd) and 6-311G(2df,2pd) basis sets. The predicted interaction energies are ΔE=-14.26 kcal/mol and -3.43 kcal/mol for the strongest and the weakest interacting forms of the studied complex, respectively, at the MP2/6-311G(2df,2pd)//MP2/6-31G(d,p) level of theory. The self-consistent field (SCF) interaction energy decomposition indicates the important influence of the deformation term magnitude on ΔE(SCF). The calculated electron correlation contribution to ΔE(MP2) depends on the geometry of the system and varies from -0.5 to -5 kcal/mol. The estimated influence of water on the stability (free energy of hydration) of N-hydroxyurea dimers using the self-consistent isodensity polarized continuum (SCI-PCM) model of solvation varies from ˜-11 kcal/mol to ˜-21 kcal/mol. The forms predicted to be more strongly interacting species in gas phase are less influenced by hydration than the more weakly interacting ones.

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.

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.

Influence of long-term social interaction on chirping behavior, steroid levels and neurogenesis in weakly electric fish

PubMed Central

Dunlap, Kent D.; Chung, Michael; Castellano, James F.

2013-01-01

Summary Social interactions dramatically affect the brain and behavior of animals. Studies in birds and mammals indicate that socially induced changes in adult neurogenesis participate in the regulation of social behavior, but little is known about this relationship in fish. Here, we review studies in electric fish (Apteronotus leptorhychus) that link social stimulation, changes in electrocommunication behavior and adult neurogenesis in brain regions associated with electrocommunication. Compared with isolated fish, fish living in pairs have greater production of chirps, an electrocommunication signal, during dyadic interactions and in response to standardized artificial social stimuli. Social interaction also promotes neurogenesis in the periventricular zone, which contributes born cells to the prepacemaker nucleus, the brain region that regulates chirping. Both long-term chirp rate and periventricular cell addition depend on the signal dynamics (amplitude and waveform variation), modulations (chirps) and novelty of the stimuli from the partner fish. Socially elevated cortisol levels and cortisol binding to glucocorticoid receptors mediate, at least in part, the effect of social interaction on chirping behavior and brain cell addition. In a closely related electric fish (Brachyhypopomus gauderio), social interaction enhances cell proliferation specifically in brain regions for electrocommunication and only during the breeding season, when social signaling is most elaborate. Together, these studies demonstrate a consistent correlation between brain cell addition and environmentally regulated chirping behavior across many social and steroidal treatments and suggest a causal relationship. PMID:23761468

Using porphyrin-amino acid pairs to model the electrochemistry of heme proteins: experimental and theoretical investigations.

PubMed

Samajdar, Rudra N; Manogaran, Dhivya; Yashonath, S; Bhattacharyya, Aninda J

2018-04-18

Quasi reversibility in electrochemical cycling between different oxidation states of iron is an often seen characteristic of iron containing heme proteins that bind dioxygen. Surprisingly, the system becomes fully reversible in the bare iron-porphyrin complex: hemin. This leads to the speculation that the polypeptide bulk (globin) around the iron-porphyrin active site in these heme proteins is probably responsible for the electrochemical quasi reversibility. To understand the effect of such polypeptide bulk on iron-porphyrin, we study the interaction of specific amino acids with the hemin center in solution. We choose three representative amino acids-histidine (a well-known iron coordinator in bio-inorganic systems), tryptophan (a well-known fluoroprobe for proteins), and cysteine (a redox-active organic molecule). The interactions of these amino acids with hemin are studied using electrochemistry, spectroscopy, and density functional theory. The results indicate that among these three, the interaction of histidine with the iron center is strongest. Further, histidine maintains the electrochemical reversibility of iron. On the other hand, tryptophan and cysteine interact weakly with the iron center but disturb the electrochemical reversibility by contributing their own redox active processes to the system. Put together, this study attempts to understand the molecular interactions that can control electrochemical reversibility in heme proteins. The results obtained here from the three representative amino acids can be scaled up to build a heme-amino acid interaction database that may predict the electrochemical properties of any protein with a defined polypeptide sequence.

Weird Science: Teaching Composition in an Antifoundational World.

ERIC Educational Resources Information Center

Bernard-Donals, Michael

The antifoundational or "hermeneutic" paradigm, particularly as it has been internalized by the field of composition studies, exists in a weak version or a strong version. The weak version stresses interactive consensus-building pedagogical practices where discourse is remade by negotiating it with others. The strong version suggests…

Drag suppression in anomalous chiral media

DOE PAGES

Sadofyev, Andrey V.; Yin, Yi

2016-06-01

We study a heavy impurity moving longitudinal with the direction of an external magnetic field in an anomalous chiral medium. Such system would carry a non-dissipative current of chiral magnetic effect associated with the anomaly. We show, by generalizing Landau's criterion for super fluidity, that the "anomalous component" which gives rise to the anomalous transport will not contribute to the drag experienced by an impurity. We argue on a very general basis that those systems with a strong magnetic field would exhibit an interesting transport phenomenon$-$the motion of the heavy impurity is frictionless, in analogy to the case of amore » super fluid. Finally, we demonstrate and confirm our general results with two complementary examples: weakly coupled chiral fermion gases and strongly interacting chiral liquids.« less

Bidirectional negative differential thermal resistance in three-segment Frenkel-Kontorova lattices.

PubMed

Ou, Ya-Li; Lu, Shi-Cai; Hu, Cai-Tian; Ai, Bao-Quan

2016-12-14

By coupling three nonlinear 1D lattice segments, we demonstrate a thermal insulator model, where the system acts like an insulator for large temperature bias and a conductor for very small temperature bias. We numerically investigate the parameter range of the thermal insulator and find that the nonlinear response (the role of on-site potential), the weakly coupling interaction between each segment, and the small system size collectively contribute to the appearance of bidirectional negative differential thermal resistance (BNDTR). The corresponding exhibition of BNDTR can be explained in terms of effective phonon-band shifts. Our results can provide a new perspective for understanding the microscopic mechanism of negative differential thermal resistance and also would be conducive to further developments in designing and fabricating thermal devices and functional materials.

Meta-atom cluster acoustic metamaterial with broadband negative effective mass density

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

Chen, Huaijun; Zhai, Shilong; Ding, Changlin

2014-02-07

We design a resonant meta-atom cluster, via which a two-dimensional (2D) acoustic metamaterial (AM) with broadband negative effective mass density from 1560 Hz to 5580 Hz is fabricated. Experimental results confirm that there is only weak interaction among the meta-atoms in the cluster. And then the meta-atoms in the cluster independently resonate, resulting in the cluster becoming equivalent to a broadband resonance unit. Extracted effective refractive indices from reflection and transmission measurements of the 2D AM appear to be negative from 1500 Hz to 5480 Hz. The broadband negative refraction has also been demonstrated by our further experiments. We expectmore » that this meta-atom cluster AM will significantly contribute to the design of broadband negative effective mass density AM.« less

CURRENT CONCEPTS AND TREATMENT OF PATELLOFEMORAL COMPRESSIVE ISSUES.

PubMed

Mullaney, Michael J; Fukunaga, Takumi

2016-12-01

Patellofemoral disorders, commonly encountered in sports and orthopedic rehabilitation settings, may result from dysfunction in patellofemoral joint compression. Osseous and soft tissue factors, as well as the mechanical interaction of the two, contribute to increased patellofemoral compression and pain. Treatment of patellofemoral compressive issues is based on identification of contributory impairments. Use of reliable tests and measures is essential in detecting impairments in hip flexor, quadriceps, iliotibial band, hamstrings, and gastrocnemius flexibility, as well as in joint mobility, myofascial restrictions, and proximal muscle weakness. Once relevant impairments are identified, a combination of manual techniques, instrument-assisted methods, and therapeutic exercises are used to address the impairments and promote functional improvements. The purpose of this clinical commentary is to describe the clinical presentation, contributory considerations, and interventions to address patellofemoral joint compressive issues.

CURRENT CONCEPTS AND TREATMENT OF PATELLOFEMORAL COMPRESSIVE ISSUES

PubMed Central

Fukunaga, Takumi

2016-01-01

Patellofemoral disorders, commonly encountered in sports and orthopedic rehabilitation settings, may result from dysfunction in patellofemoral joint compression. Osseous and soft tissue factors, as well as the mechanical interaction of the two, contribute to increased patellofemoral compression and pain. Treatment of patellofemoral compressive issues is based on identification of contributory impairments. Use of reliable tests and measures is essential in detecting impairments in hip flexor, quadriceps, iliotibial band, hamstrings, and gastrocnemius flexibility, as well as in joint mobility, myofascial restrictions, and proximal muscle weakness. Once relevant impairments are identified, a combination of manual techniques, instrument-assisted methods, and therapeutic exercises are used to address the impairments and promote functional improvements. The purpose of this clinical commentary is to describe the clinical presentation, contributory considerations, and interventions to address patellofemoral joint compressive issues. PMID:27904792

Interparticle interactions effects on the magnetic order in surface of FeO4 nanoparticles.

PubMed

Lima, E; Vargas, J M; Rechenberg, H R; Zysler, R D

2008-11-01

We report interparticle interactions effects on the magnetic structure of the surface region in Fe3O4 nanoparticles. For that, we have studied a desirable system composed by Fe3O4 nanoparticles with (d) = 9.3 nm and a narrow size distribution. These particles present an interesting morphology constituted by a crystalline core and a broad (approximately 50% vol.) disordered superficial shell. Two samples were prepared with distinct concentrations of the particles: weakly-interacting particles dispersed in a polymer and strongly-dipolar-interacting particles in a powder sample. M(H, T) measurements clearly show that strong dipolar interparticle interaction modifies the magnetic structure of the structurally disordered superficial shell. Consequently, we have observed drastically distinct thermal behaviours of magnetization and susceptibility comparing weakly- and strongly-interacting samples for the temperature range 2 K < T < 300 K. We have also observed a temperature-field dependence of the hysteresis loops of the dispersed sample that is not observed in the hysteresis loops of the powder one.

Fluctuating selection across years and phenotypic variation in food-deceptive orchids.

PubMed

Scopece, Giovanni; Juillet, Nicolas; Lexer, Christian; Cozzolino, Salvatore

2017-01-01

Nectarless flowers that deceive pollinators offer an opportunity to study asymmetric plant-insect interactions. Orchids are a widely used model for studying these interactions because they encompass several thousand species adopting deceptive pollination systems. High levels of intra-specific phenotypic variation have been reported in deceptive orchids, suggesting a reduced consistency of pollinator-mediated selection on their floral traits. Nevertheless, several studies report on widespread directional selection mediated by pollinators even in these deceptive orchids. In this study we test the hypothesis that the observed selection can fluctuate across years in strength and direction thus likely contributing to the phenotypic variability of this orchid group. We performed a three-year study estimating selection differentials and selection gradients for nine phenotypic traits involved in insect attraction in two Mediterranean orchid species, namely Orchis mascula and O. pauciflora , both relying on a well-described food-deceptive pollination strategy. We found weak directional selection and marginally significant selection gradients in the two investigated species with significant intra-specific differences in selection differentials across years. Our data do not link this variation with a specific environmental cause, but our results suggest that pollinator-mediated selection in food-deceptive orchids can change in strength and in direction over time. In perennial plants, such as orchids, different selection differentials in the same populations in different flowering seasons can contribute to the maintenance of phenotypic variation often reported in deceptive orchids.

Social interactions between live and artificial weakly electric fish: Electrocommunication and locomotor behavior of Mormyrus rume proboscirostris towards a mobile dummy fish

PubMed Central

Kirschbaum, Frank; von der Emde, Gerhard

2017-01-01

Mormyrid weakly electric fish produce short, pulse-type electric organ discharges for actively probing their environment and to communicate with conspecifics. Animals emit sequences of pulse-trains that vary in overall frequency and temporal patterning and can lead to time-locked interactions with the discharge activity of other individuals. Both active electrolocation and electrocommunication are additionally accompanied by stereotypical locomotor patterns. However, the concrete roles of electrical and locomotor patterns during social interactions in mormyrids are not well understood. Here we used a mobile fish dummy that was emitting different types of electrical playback sequences to study following behavior and interaction patterns (electrical and locomotor) between individuals of weakly electric fish. We confronted single individuals of Mormyrus rume proboscirostris with a mobile dummy fish designed to attract fish from a shelter and recruit them into an open area by emitting electrical playbacks of natural discharge sequences. We found that fish were reliably recruited by the mobile dummy if it emitted electrical signals and followed it largely independently of the presented playback patterns. While following the dummy, fish interacted with it spatially by displaying stereotypical motor patterns, as well as electrically, e.g. through discharge regularizations and by synchronizing their own discharge activity to the playback. However, the overall emission frequencies of the dummy were not adopted by the following fish. Instead, social signals based on different temporal patterns were emitted depending on the type of playback. In particular, double pulses were displayed in response to electrical signaling of the dummy and their expression was positively correlated with an animals' rank in the dominance hierarchy. Based on additional analysis of swimming trajectories and stereotypical locomotor behavior patterns, we conclude that the reception and emission of electrical communication signals play a crucial role in mediating social interactions in mormyrid weakly electric fish. PMID:28902915

Contribution of Large Region Joint Associations to Complex Traits Genetics

PubMed Central

Paré, Guillaume; Asma, Senay; Deng, Wei Q.

2015-01-01

A polygenic model of inheritance, whereby hundreds or thousands of weakly associated variants contribute to a trait’s heritability, has been proposed to underlie the genetic architecture of complex traits. However, relatively few genetic variants have been positively identified so far and they collectively explain only a small fraction of the predicted heritability. We hypothesized that joint association of multiple weakly associated variants over large chromosomal regions contributes to complex traits variance. Confirmation of such regional associations can help identify new loci and lead to a better understanding of known ones. To test this hypothesis, we first characterized the ability of commonly used genetic association models to identify large region joint associations. Through theoretical derivation and simulation, we showed that multivariate linear models where multiple SNPs are included as independent predictors have the most favorable association profile. Based on these results, we tested for large region association with height in 3,740 European participants from the Health and Retirement Study (HRS) study. Adjusting for SNPs with known association with height, we demonstrated clustering of weak associations (p = 2x10-4) in regions extending up to 433.0 Kb from known height loci. The contribution of regional associations to phenotypic variance was estimated at 0.172 (95% CI 0.063-0.279; p < 0.001), which compared favorably to 0.129 explained by known height variants. Conversely, we showed that suggestively associated regions are enriched for known height loci. To extend our findings to other traits, we also tested BMI, HDLc and CRP for large region associations, with consistent results for CRP. Our results demonstrate the presence of large region joint associations and suggest these can be used to pinpoint weakly associated SNPs. PMID:25856144

The Charm and Beauty of Strong Interactions

NASA Astrophysics Data System (ADS)

El-Bennich, Bruno

2018-01-01

We briefly review common features and overlapping issues in hadron and flavor physics focussing on continuum QCD approaches to heavy bound states, their mass spectrum and weak decay constants in different strong interaction models.

Genetics Home Reference: nemaline myopathy

MedlinePlus

... nemaline myopathy interact within the sarcomere to facilitate muscle contraction. When the skeletal muscle cells of people with ... The disorganized proteins cannot interact normally, which disrupts muscle contraction. Inefficient muscle contraction leads to muscle weakness and ...

Interactive calculation procedures for mixed compression inlets

NASA Technical Reports Server (NTRS)

Reshotko, Eli

1983-01-01

The proper design of engine nacelle installations for supersonic aircraft depends on a sophisticated understanding of the interactions between the boundary layers and the bounding external flows. The successful operation of mixed external-internal compression inlets depends significantly on the ability to closely control the operation of the internal compression portion of the inlet. This portion of the inlet is one where compression is achieved by multiple reflection of oblique shock waves and weak compression waves in a converging internal flow passage. However weak these shocks and waves may seem gas-dynamically, they are of sufficient strength to separate a laminar boundary layer and generally even strong enough for separation or incipient separation of the turbulent boundary layers. An understanding was developed of the viscous-inviscid interactions and of the shock wave boundary layer interactions and reflections.

Critical exponents and universal magnetic behavior of noncentrosymmetric Fe0.6Co0.4Si

NASA Astrophysics Data System (ADS)

Shanmukharao Samatham, S.; Suresh, K. G.

2018-05-01

The critical magnetic properties of a non-centrosymmetric B20 cubic helimagnet Fe0.6Co0.4Si are investigated using magnetization isotherms. It belongs to the 3D-Heisenberg universality class with short range magnetic coupling as inferred from the self-consistent critical exponents , , and in combination with exchange interaction . Itinerant magnetic nature of the compound is realized by the Rhodes–Wholfarth analysis. Field-induced weak first (parahelical) to second (parafield-polarized) order transition is reported to occur at low critical field due to the weak spin–orbit coupling arising from the weak Dzyaloshinksii–Moriya interactions. Our study suggests the distinct phenomenological magnetic structures for Fe-based cubic magnets (Fe1‑x Co x Si and FeGe) and MnSi which cause contrasting physical properties.

Partially composite particle physics with and without supersymmetry

NASA Astrophysics Data System (ADS)

Kramer, Thomas A.

Theories in which the Standard Model fields are partially compositeness provide elegant and phenomenologically viable solutions to the Hierarchy Problem. In this thesis we will study types of models from two different perspectives. We first derive an effective field theory describing the interactions of the Standard Models fields with their lightest composite partners based on two weakly coupled sectors. Technically, via the AdS/CFT correspondence, our model is dual to a highly deconstructed theory with a single warped extra-dimension. This two sector theory provides a simplified approach to the phenomenology of this important class of theories. We then use this effective field theoretic approach to study models with weak scale accidental supersymmetry. Particularly, we will investigate the possibility that the Standard Model Higgs field is a member of a composite supersymmetric sector interacting weakly with the known Standard Model fields.

Can biological homochirality result from a phase transition?

PubMed

Figureau, A; Duval, E; Boukenter, A

1995-06-01

The problem of chiral purity in living organisms is still one of the prominent difficulties in the study of the origins of life. In particular the parity non-conservation known to occur in weak interactions could not be related to this lack of symmetry: these physical forces, though universal, are very weak and up to now no amplification process had been proposed. In 1991, A. Salam remarked that, due to the attractive character of the parity violating force in electro-weak interactions, a phase transition at low temperature should exist, leading eventually to enantiomeric purity. We undertook then a series of experimental tests, looking for a sizeable change in the optical activity of cystine molecules. We found no evidence for the phase transition down to 0.01 K. The interpretation of these negative results will be discussed, and future experiments proposed.

Weak Interactions Govern the Viscosity of Concentrated Antibody Solutions: High-Throughput Analysis Using the Diffusion Interaction Parameter

PubMed Central

Connolly, Brian D.; Petry, Chris; Yadav, Sandeep; Demeule, Barthélemy; Ciaccio, Natalie; Moore, Jamie M.R.; Shire, Steven J.; Gokarn, Yatin R.

2012-01-01

Weak protein-protein interactions are thought to modulate the viscoelastic properties of concentrated antibody solutions. Predicting the viscoelastic behavior of concentrated antibodies from their dilute solution behavior is of significant interest and remains a challenge. Here, we show that the diffusion interaction parameter (kD), a component of the osmotic second virial coefficient (B2) that is amenable to high-throughput measurement in dilute solutions, correlates well with the viscosity of concentrated monoclonal antibody (mAb) solutions. We measured the kD of 29 different mAbs (IgG1 and IgG4) in four different solvent conditions (low and high ion normality) and found a linear dependence between kD and the exponential coefficient that describes the viscosity concentration profiles (|R| ≥ 0.9). Through experimentally measured effective charge measurements, under low ion normality where the electroviscous effect can dominate, we show that the mAb solution viscosity is poorly correlated with the mAb net charge (|R| ≤ 0.6). With this large data set, our results provide compelling evidence in support of weak intermolecular interactions, in contrast to the notion that the electroviscous effect is important in governing the viscoelastic behavior of concentrated mAb solutions. Our approach is particularly applicable as a screening tool for selecting mAbs with desirable viscosity properties early during lead candidate selection. PMID:22828333

J. J. Sakurai Prize: Astrophysics, Cosmology and PQ Symmetry--Linking the Very Small and the Very Large

NASA Astrophysics Data System (ADS)

Quinn, Helen

2013-04-01

The symmetry between the laws of physics for matter and those for antimatter (technically known as CP symmetry) is broken in the weak interaction but maintained to a high level of precision in the strong interaction. In the context of the Standard Model theory of particles and their interactions this is a puzzle --what protects the strong interaction from being more ``infected'' by the lack of a symmetry of the weak interaction? I will review the history of the idea we had to solve this puzzle, its consequences, and its evolution into the versions still viable today. Our answer to this puzzle, adding a further symmetry now known as PQ symmetry, arose from thinking about the effects of quark-Higgs couplings as in the early Universe, in the phase transition that gives quarks their masses. Not only did this modification of the Standard Model arise from cosmological thinking, it turns out to have possible cosmological consequences in the form of a light, weakly-coupled particle known as the axion, a possible dark matter candidate. Furthermore astrophysical constraints on such a particle have played a role in the subsequent evolution of theories with PQ symmetry. I will review the early history of this fascinating linkage of large scale and small scale physics, leaving later developments for my collaborator and co-recipient of this prize, Roberto Peccei, to talk about.

Randomly organized lipids and marginally stable proteins: a coupling of weak interactions to optimize membrane signaling.

PubMed

Rice, Anne M; Mahling, Ryan; Fealey, Michael E; Rannikko, Anika; Dunleavy, Katie; Hendrickson, Troy; Lohese, K Jean; Kruggel, Spencer; Heiling, Hillary; Harren, Daniel; Sutton, R Bryan; Pastor, John; Hinderliter, Anne

2014-09-01

Eukaryotic lipids in a bilayer are dominated by weak cooperative interactions. These interactions impart highly dynamic and pliable properties to the membrane. C2 domain-containing proteins in the membrane also interact weakly and cooperatively giving rise to a high degree of conformational plasticity. We propose that this feature of weak energetics and plasticity shared by lipids and C2 domain-containing proteins enhance a cell's ability to transduce information across the membrane. We explored this hypothesis using information theory to assess the information storage capacity of model and mast cell membranes, as well as differential scanning calorimetry, carboxyfluorescein release assays, and tryptophan fluorescence to assess protein and membrane stability. The distribution of lipids in mast cell membranes encoded 5.6-5.8bits of information. More information resided in the acyl chains than the head groups and in the inner leaflet of the plasma membrane than the outer leaflet. When the lipid composition and information content of model membranes were varied, the associated C2 domains underwent large changes in stability and denaturation profile. The C2 domain-containing proteins are therefore acutely sensitive to the composition and information content of their associated lipids. Together, these findings suggest that the maximum flow of signaling information through the membrane and into the cell is optimized by the cooperation of near-random distributions of membrane lipids and proteins. This article is part of a Special Issue entitled: Interfacially Active Peptides and Proteins. Guest Editors: William C. Wimley and Kalina Hristova. Copyright © 2014 Elsevier B.V. All rights reserved.

pH-responsive ion transport in polyelectrolyte multilayers of poly(diallyldimethylammonium chloride) (PDADMAC) and poly(4-styrenesulfonic acid-co-maleic acid) (PSS-MA) bearing strong- and weak anionic groups.

PubMed

Maza, Eliana; Tuninetti, Jimena S; Politakos, Nikolaos; Knoll, Wolfgang; Moya, Sergio; Azzaroni, Omar

2015-11-28

The layer-by-layer construction of interfacial architectures displaying stimuli-responsive control of mass transport is attracting increasing interest in materials science. In this work, we describe the creation of interfacial architectures displaying pH-dependent ionic transport properties which until now have not been observed in polyelectrolyte multilayers. We describe a novel approach to create pH-controlled ion-rectifying systems employing polyelectrolyte multilayers assembled from a copolymer containing both weakly and strongly charged pendant groups, poly(4-styrenesulfonic acid-co-maleic acid) (PSS-MA), alternately deposited with poly(diallyldimethylammonium chloride) (PDADMAC). The conceptual framework is based on the very contrasting and differential interactions of PSS and MA units with PDADMAC. In our setting, sulfonate groups play a structural role by conferring stability to the multilayer due to the strong electrostatic interactions with the polycations, while the weakly interacting MA groups remain "silent" within the film and then act as on-demand pH-responsive units. When these multilayers are combined with a strong cationic capping layer that repels the passage of cationic probes, a pH-gateable rectified transport of anions is observed. Concomitantly, we also observed that these functional properties are significantly affected when multilayers are subjected to extensive pH cycling as a consequence of irreversible morphological changes taking place in the film. We envision that the synergy derived from combining weak and strong interactions within the same multilayer will play a key role in the construction of new interfacial architectures displaying tailorable ion transport properties.

The Born-Oppenheimer molecular simulations of infrared spectra of crystalline poly-(R)-3-hydroxybutyrate with analysis of weak Csbnd H⋯Odbnd C hydrogen bonds

NASA Astrophysics Data System (ADS)

Brela, Mateusz Z.; Boczar, Marek; Wójcik, Marek J.; Sato, Harumi; Nakajima, Takahito; Ozaki, Yukihiro

2017-06-01

In this letter we present results of study of weak Csbnd H⋯Odbnd C hydrogen bonds of crystalline poly-(R)-3-hydroxybutyrate (PHB) by using Born-Oppenheimer molecular dynamics. The polymeric structure and IR spectra of PHB result from the presence of the weak hydrogen bonds. We applied the post-molecular dynamics analysis to consider a Cdbnd O motion as indirectly involved in the hydrogen bonds. Quantization of the nuclear motion of the oxygens was done to perform detailed analysis of the strength and properties of the Cdbnd O bands involved in the weak hydrogen bonds. We have also shown the dynamic character of the weak hydrogen bond interactions.

Effect of gauge-field interaction on fermion transport in two dimensions: Hartree conductivity correction and dephasing

NASA Astrophysics Data System (ADS)

Ludwig, T.; Gornyi, I. V.; Mirlin, A. D.; Wölfle, P.

2008-06-01

We consider the quantum corrections to the conductivity of fermions interacting via a Chern Simons gauge field and concentrate on the Hartree-type contributions. The first-order Hartree approximation is only valid in the limit of weak coupling λ≪g-1/2 to the gauge field ( g≫1 is the dimensionless conductance) and results in an antilocalizing conductivity correction ˜λ2gln2T . In the case of strong coupling, an infinite summation of higher-order terms is necessary, which includes both the virtual (renormalization of the frequency) and real (dephasing) processes. At intermediate temperatures, T0≪T≪gT0 , where T0˜1/g2τ and τ is the elastic scattering time, the T dependence of the conductivity is determined by the Hartree correction, δσH(T)-δσH(gT0)∝g1/2-(T/T0)1/2[1+ln(gT0/T)1/2] , so that σ(T) increases with lowering T . At low temperatures, T≪T0 , the temperature-dependent part of the Hartree correction assumes a logarithmic form with a coefficient of order unity, δσH∝ln(1/T) . As a result, the negative exchange contribution δσex∝-lngln(1/T) becomes dominant, which yields localization in the limit of T→0 . We further discuss dephasing at strong coupling and show that the dephasing rates are of the order of T , owing to the interplay of inelastic scattering and renormalization. On the other hand, the dephasing length is anomalously short, Lφ≪LT , where LT is the thermal length. For the case of composite fermions with long-range Coulomb interaction, the gauge-field propagator is less singular. The resulting Hartree correction has the usual sign and temperature dependence, δσH∝lngln(1/T) , and for realistic g is overcompensated by the negative exchange contribution due to the gauge-boson and scalar parts of the interaction. In this case, the dephasing length Lφ is of the order of LT for not too low temperatures and exceeds LT for T≲gT0 .

Nonlinear optical and electroabsorption spectra of polydiacetylene crystals and films

NASA Astrophysics Data System (ADS)

Mukhopadhyay, D.; Soos, Z. G.

1996-01-01

Vibronic structure of nonlinear optical (NLO) coefficients is developed within the Condon approximation, displaced harmonic oscillators, and crude adiabatic states. The displacements of backbone modes of conjugated polymers are taken from vibrational data on the ground and 1B excited state. NLO resonances are modeled by three excitations and transition moments taken from Pariser-Parr-Pople (PPP) theory and optimized to polydiacetylene (PDA) spectra in crystals and films, with blue-shifted 1B exciton. The joint analysis of third-harmonic-generation, two-photon absorption, and nondegenerate four-wave-mixing spectra of PDA crystals and films shows weak two-photon absorption to 2A below 1B, leading to overlapping resonances in the THG spectrum, strong two-photon absorption to an nA state some 35% above 1B, and weak Raman resonances in nondegenerate FWM spectra. The full π-π* spectrum contributes to Stark shifts and field-induced transitions, as shown by PPP results for PDA oligomers. The Stark shift dominates high-resolution electroabsorption (EA) spectra of PDA crystals below 10 K. The close correspondence between EA and the first-derivative I'(ω) of the linear absorption above the 1B exciton in PDA crystals provides an experimental separation of vibrational and electronic contributions that limits any even-parity state in this 0.5 eV interval. An oscillator-strength sum rule is applied to the convergence of PDA oligomers with increasing length, N, and the crystal oscillator strengths are obtained without adjustable parameters. The sum rule for the 1B exciton implies large transition moments to higher-energy Ag states, whose locations in recent models are contrasted to PPP results. Joint analysis of NLO and EA spectra clarifies when a few electronic excitations are sufficient, distinguishes between vibrational and electronic contributions, and supports similar π-electron interactions in conjugated molecules and polymers.

Some peculiarities of interactions of weakly bound lithium nuclei at near-barrier energies

NASA Astrophysics Data System (ADS)

Kabyshev, A. M.; Kuterbekov, K. A.; Sobolev, Yu G.; Penionzhkevich, Yu E.; Kubenova, M. M.; Azhibekov, A. K.; Mukhambetzhan, A. M.; Lukyanov, S. M.; Maslov, V. A.; Kabdrakhimova, G. D.

2018-02-01

This paper presents new experimental data on the total cross sections of 9Li + 28Si reactions at low energies as well as the analysis of previously obtained data for 6,7Li. Based on a large collection of data (authors’ and literature data) we carried out a comparative analysis of the two main experimental interaction cross sections (angular distributions of the differential cross sections and total reaction cross sections) for weakly bound lithium (6-9Li, 11Li) nuclei in the framework of Kox parameterization and the macroscopic optical model. We identified specific features of these interactions and predicted the experimental trend in the total reaction cross sections for Li isotopes at energies close to the Coulomb barrier.

Weak incident shock interactions with Mach 8 laminar boundary layers. [of flat plate

NASA Technical Reports Server (NTRS)

Kaufman, L. G., II; Johnson, C. B.

1974-01-01

Weak shock-wave interactions with boundary layers on a flat plate were investigated experimentally in Mach 8 variable-density tunnel for plate-length Reynolds numbers. The undisturbed boundary layers were laminar over the entire plate length. Pressure and heat-transfer distributions were obtained for wedge-generated incident shock waves that resulted in pressure rises ranging from 1.36 to 4.46 (both nonseparated and separated boundary-layer flows). The resulting heat-transfer amplifications ranged from 1.45 to 14. The distributions followed established trends for nonseparated flows, for incipient separation, and for laminar free-interaction pressure rises. The experimental results corroborated established trends for the extent of the pressure rise and for certain peak heat-transfer correlations.

A novel model of interaction between high frequency electromagnetic non-ionizing fields and microtubules viewed as coupled two-degrees of freedom harmonic oscillators.

PubMed

Caligiuri, Luigi Maxmilian

2015-01-01

The question regarding the potential biological and adverse health effects of non-ionizing electromagnetic fields on living organisms is of primary importance in biophysics and medicine. Despite the several experimental evidences showing such occurrence in a wide frequency range from extremely low frequency to microwaves, a definitive theoretical model able to explain a possible mechanism of interaction between electromagnetic fields and living matter, especially in the case of weak and very weak intensities, is still missing. In this paper it has been suggested a possible mechanism of interaction involving the resonant absorption of electromagnetic radiation by microtubules. To this aim these have been modeled as non-dissipative forced harmonic oscillators characterized by two coupled "macroscopic" degrees of freedom, respectively describing longitudinal and transversal vibrations induced by the electromagnetic field. We have shown that the proposed model, although at a preliminary stage, is able to explain the ability of even weak electromagnetic radiating electromagnetic fields to transfer high quantities of energy to living systems by means of a resonant mechanism, so capable to easily damage microtubules structure.

Weakly and strongly coupled Belousov-Zhabotinsky patterns.

PubMed

Weiss, Stephan; Deegan, Robert D

2017-02-01

We investigate experimentally and numerically the synchronization of two-dimensional spiral wave patterns in the Belousov-Zhabotinsky reaction due to point-to-point coupling of two separate domains. Different synchronization modalities appear depending on the coupling strength and the initial patterns in each domain. The behavior as a function of the coupling strength falls into two qualitatively different regimes. The weakly coupled regime is characterized by inter-domain interactions that distorted but do not break wave fronts. Under weak coupling, spiral cores are pushed around by wave fronts in the other domain, resulting in an effective interaction between cores in opposite domains. In the case where each domain initially contains a single spiral, the cores form a bound pair and orbit each other at quantized distances. When the starting patterns consist of multiple randomly positioned spiral cores, the number of cores decreases with time until all that remains are a few cores that are synchronized with a partner in the other domain. The strongly coupled regime is characterized by interdomain interactions that break wave fronts. As a result, the wave patterns in both domains become identical.

Weakly and strongly coupled Belousov-Zhabotinsky patterns

NASA Astrophysics Data System (ADS)

Weiss, Stephan; Deegan, Robert D.

2017-02-01

We investigate experimentally and numerically the synchronization of two-dimensional spiral wave patterns in the Belousov-Zhabotinsky reaction due to point-to-point coupling of two separate domains. Different synchronization modalities appear depending on the coupling strength and the initial patterns in each domain. The behavior as a function of the coupling strength falls into two qualitatively different regimes. The weakly coupled regime is characterized by inter-domain interactions that distorted but do not break wave fronts. Under weak coupling, spiral cores are pushed around by wave fronts in the other domain, resulting in an effective interaction between cores in opposite domains. In the case where each domain initially contains a single spiral, the cores form a bound pair and orbit each other at quantized distances. When the starting patterns consist of multiple randomly positioned spiral cores, the number of cores decreases with time until all that remains are a few cores that are synchronized with a partner in the other domain. The strongly coupled regime is characterized by interdomain interactions that break wave fronts. As a result, the wave patterns in both domains become identical.

The Strength of Strong Ties for Older Rural Adults: Regional Distinctions in the Relationship between Social Interaction and Subjective Well-Being

ERIC Educational Resources Information Center

Mair, Christine A.; Thivierge-Rikard, R. V.

2010-01-01

Classic and contemporary sociological theories suggest that social interaction differs in rural and urban areas. Intimate, informal interactions (strong ties) are theorized to characterize rural areas while urban areas may possess more formal and rationalized interactions (weak ties). Aging and social support literature stresses social interaction…

An experimental test of a fundamental food web motif.

PubMed

Rip, Jason M K; McCann, Kevin S; Lynn, Denis H; Fawcett, Sonia

2010-06-07

Large-scale changes to the world's ecosystem are resulting in the deterioration of biostructure-the complex web of species interactions that make up ecological communities. A difficult, yet crucial task is to identify food web structures, or food web motifs, that are the building blocks of this baroque network of interactions. Once identified, these food web motifs can then be examined through experiments and theory to provide mechanistic explanations for how structure governs ecosystem stability. Here, we synthesize recent ecological research to show that generalist consumers coupling resources with different interaction strengths, is one such motif. This motif amazingly occurs across an enormous range of spatial scales, and so acts to distribute coupled weak and strong interactions throughout food webs. We then perform an experiment that illustrates the importance of this motif to ecological stability. We find that weak interactions coupled to strong interactions by generalist consumers dampen strong interaction strengths and increase community stability. This study takes a critical step by isolating a common food web motif and through clear, experimental manipulation, identifies the fundamental stabilizing consequences of this structure for ecological communities.

Teleportation of a Weak Coherent Cavity Field State

NASA Astrophysics Data System (ADS)

Cardoso, Wesley B.; Qiang, Wen-Chao; Avelar, Ardiley T.

2016-07-01

In this paper we propose a scheme to teleport a weak coherent cavity field state. The scheme relies on the resonant atom-field interaction inside a high-Q cavity. The mean photon-number of the cavity field is assumed much smaller than one, hence the field decay inside the cavity can be effectively suppressed.

Gossip and Distributed Kalman Filtering: Weak Consensus Under Weak Detectability

NASA Astrophysics Data System (ADS)

Kar, Soummya; Moura, José M. F.

2011-04-01

The paper presents the gossip interactive Kalman filter (GIKF) for distributed Kalman filtering for networked systems and sensor networks, where inter-sensor communication and observations occur at the same time-scale. The communication among sensors is random; each sensor occasionally exchanges its filtering state information with a neighbor depending on the availability of the appropriate network link. We show that under a weak distributed detectability condition: 1. the GIKF error process remains stochastically bounded, irrespective of the instability properties of the random process dynamics; and 2. the network achieves \\emph{weak consensus}, i.e., the conditional estimation error covariance at a (uniformly) randomly selected sensor converges in distribution to a unique invariant measure on the space of positive semi-definite matrices (independent of the initial state.) To prove these results, we interpret the filtered states (estimates and error covariances) at each node in the GIKF as stochastic particles with local interactions. We analyze the asymptotic properties of the error process by studying as a random dynamical system the associated switched (random) Riccati equation, the switching being dictated by a non-stationary Markov chain on the network graph.

Higgs gravitational interaction, weak boson scattering, and Higgs inflation in Jordan and Einstein frames

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

Ren, Jing; Xianyu, Zhong-Zhi; He, Hong-Jian, E-mail: jingren2004@gmail.com, E-mail: xianyuzhongzhi@gmail.com, E-mail: hjhe@tsinghua.edu.cn

2014-06-01

We study gravitational interaction of Higgs boson through the unique dimension-4 operator ξH{sup †}HR, with H  the Higgs doublet and R  the Ricci scalar curvature. We analyze the effect of this dimensionless nonminimal coupling ξ  on weak gauge boson scattering in both Jordan and Einstein frames. We explicitly establish the longitudinal-Goldstone equivalence theorem with nonzero ξ coupling in both frames, and analyze the unitarity constraints. We study the ξ-induced weak boson scattering cross sections at O(1−30) TeV scales, and propose to probe the Higgs-gravity coupling via weak boson scattering experiments at the LHC (14 TeV) and the next generation ppmore » colliders (50-100 TeV). We further extend our study to Higgs inflation, and quantitatively derive the perturbative unitarity bounds via coupled channel analysis, under large field background at the inflation scale. We analyze the unitarity constraints on the parameter space in both the conventional Higgs inflation and the improved models in light of the recent BICEP2 data.« less

Prize for a Faculty Member for Research in and Undergraduate Institution: Higher order corrections to positronium energies

NASA Astrophysics Data System (ADS)

Adkins, Gregory

2016-03-01

Positronium spectroscopy is of continuing interest as a high-precision test of our understanding of binding in QED. Positronium-the electron-positron bound state-represents the purest example of binding in QFT as the constituents are structureless and their interactions are dominated by QED with only negligible contributions from strong or weak effects. Positronium differs from other Coulombic bound systems such as hydrogen or muonium in having maximal recoil (the constituent mass ratio m / M is one) and being subject to real and virtual annihilation into photons. Positronium spectroscopy (n = 1 hyperfine splitting, n = 2 fine structure, and the 2 S - 1 S interval) has reached a precision of order 1MHz , and ongoing experimental efforts may lead to improved results. Theoretical calculations of positronium energies at order mα6 ~ 18 . 7MHz are complete, but only partial results are known at order mα7 ~ 0 . 14MHz . I will report on the status of the positronium energy calculations and present new results for order mα7 contributions. Support provided by the NSF through Grant No. PHY-1404268.

Rethinking antiparticles. Hermann Weyl's contribution to neutrino physics

NASA Astrophysics Data System (ADS)

De Bianchi, Silvia

2018-02-01

This paper focuses on Hermann Weyl's two-component theory and frames it within the early development of different theories of spinors and the history of the discovery of parity violation in weak interactions. In order to show the implications of Weyl's theory, the paper discusses the case study of Ettore Majorana's symmetric theory of electron and positron (1937), as well as its role in inspiring Case's formulation of parity violation for massive neutrinos in 1957. In doing so, this paper clarifies the relevance of Weyl's and Majorana's theories for the foundations of neutrino physics and emphasizes which conceptual aspects of Weyl's approach led to Lee's and Yang's works on neutrino physics and to the solution of the theta-tau puzzle in 1957. This contribution thus sheds a light on the alleged "re-discovery" of Weyl's and Majorana's theories in 1957, by showing that this did not happen all of a sudden. On the contrary, the scientific community was well versed in applying these theories in the 1950s on the ground of previous studies that involved important actors in both Europe and United States.

In-flight calibration of Hitomi Soft X-ray Spectrometer. (1) Background

NASA Astrophysics Data System (ADS)

Kilbourne, Caroline A.; Sawada, Makoto; Tsujimoto, Masahiro; Angellini, Lorella; Boyce, Kevin R.; Eckart, Megan E.; Fujimoto, Ryuichi; Ishisaki, Yoshitaka; Kelley, Richard L.; Koyama, Shu; Leutenegger, Maurice A.; Loewenstein, Michael; McCammon, Dan; Mitsuda, Kazuhisa; Nakashima, Shinya; Porter, Frederick S.; Seta, Hiromi; Takei, Yoh; Tashiro, Makoto S.; Terada, Yukikatsu; Yamada, Shinya; Yamasaki, Noriko Y.

2018-03-01

The X-Ray Spectrometer (XRS) instrument of Suzaku provided the first measurement of the non-X-ray background (NXB) of an X-ray calorimeter spectrometer, but the data set was limited. The Soft X-ray Spectrometer (SXS) instrument of Hitomi was able to provide a more detailed picture of X-ray calorimeter background, with more than 360 ks of data while pointed at the Earth, and a comparable amount of blank-sky data. These data are important not only for analyzing SXS science data, but also for categorizing the contributions to the NXB in X-ray calorimeters as a class. In this paper, we present the contributions to the SXS NXB, the types and effectiveness of the screening, the interaction of the screening with the broad-band redistribution, and the residual background spectrum as a function of magnetic cut-off rigidity. The orbit-averaged SXS NXB in the range 0.3-12 keV was 4 × 10-2 counts s-1 cm-2. This very low background in combination with groundbreaking spectral resolution gave SXS unprecedented sensitivity to weak spectral lines.

Electromagnetic Education in India

ERIC Educational Resources Information Center

Bajpai, Shrish; Asif, Siddiqui Sajida; Akhtar, Syed Adnan

2016-01-01

Out of the four fundamental interactions in nature, electromagnetics is one of them along with gravitation, strong interaction and weak interaction. The field of electromagnetics has made much of the modern age possible. Electromagnets are common in day-to-day appliances and are becoming more conventional as the need for technology increases.…

Elevated nitrogen allows the weak invasive plant Galinsoga quadriradiata to become more vigorous with respect to inter-specific competition.

PubMed

Liu, Gang; Yang, Ying-Bo; Zhu, Zhi-Hong

2018-02-16

Elevated nitrogen associated with global change is believed to promote the invasion of many vigorous exotic plants. However, it is unclear how a weak exotic plant will respond to elevated nitrogen in the future. In this study, the competitive outcome of a weak invasive plant (Galinsoga quadriradiata) and two non-invasive plants was detected. The plants were subjected to 3 types of culture (mixed, monoculture or one-plant), 2 levels of nitrogen (ambient or elevated at a rate of 2 g m -2 yr -1 ) and 2 levels of light (65% shade or full sunlight). The results showed that elevated nitrogen significantly promoted the growth of both the weak invader and the non-invasive plants in one-plant pots; however, growth promotion was not observed for the non-invasive species in the mixed culture pots. The presence of G. quadriradiata significantly inhibited the growth of the non-invasive plants, and a decreased negative species interaction was detected as a result of elevated nitrogen. Our results suggest that competitive interactions between G. quadriradiata and the non-invasive plants were altered by elevated nitrogen. It provides exceptional evidence that an initially weak invasive plant can become an aggressive invader through elevated nitrogen deposition.

Advances in wave turbulence: rapidly rotating flows

NASA Astrophysics Data System (ADS)

Cambon, C.; Rubinstein, R.; Godeferd, F. S.

2004-07-01

At asymptotically high rotation rates, rotating turbulence can be described as a field of interacting dispersive waves by the general theory of weak wave turbulence. However, rotating turbulence has some complicating features, including the anisotropy of the wave dispersion relation and the vanishing of the wave frequency on a non-vanishing set of 'slow' modes. These features prevent straightforward application of existing theories and lead to some interesting properties, including the transfer of energy towards the slow modes. This transfer competes with, and might even replace, the transfer to small scales envisioned in standard turbulence theories. In this paper, anisotropic spectra for rotating turbulence are proposed based on weak turbulence theory; some evidence for their existence is given based on numerical calculations of the wave turbulence equations. Previous arguments based on the properties of resonant wave interactions suggest that the slow modes decouple from the others. Here, an extended wave turbulence theory with non-resonant interactions is proposed in which all modes are coupled; these interactions are possible only because of the anisotropy of the dispersion relation. Finally, the vanishing of the wave frequency on the slow modes implies that these modes cannot be described by weak turbulence theory. A more comprehensive approach to rotating turbulence is proposed to overcome this limitation.

Enzymatic mechanisms of biological magnetic sensitivity.

PubMed

Letuta, Ulyana G; Berdinskiy, Vitaly L; Udagawa, Chikako; Tanimoto, Yoshifumi

2017-10-01

Primary biological magnetoreceptors in living organisms is one of the main research problems in magnetobiology. Intracellular enzymatic reactions accompanied by electron transfer have been shown to be receptors of magnetic fields, and spin-dependent ion-radical processes can be a universal mechanism of biological magnetosensitivity. Magnetic interactions in intermediate ion-radical pairs, such as Zeeman and hyperfine (HFI) interactions, in accordance with proposed strict quantum mechanical theory, can determine magnetic-field dependencies of reactions that produce biologically important molecules needed for cell growth. Hyperfine interactions of electrons with nuclear magnetic moments of magnetic isotopes can explain the most important part of biomagnetic sensitivities in a weak magnetic field comparable to the Earth's magnetic field. The theoretical results mean that magnetic-field dependencies of enzymatic reaction rates in a weak magnetic field that can be independent of HFI constant a, if H < a, and are determined by the rate constant of chemical transformations in the enzyme active site. Both Zeeman and HFI interactions predict strong magnetic-field dependence in weak magnetic fields and magnetic-field independence of enzymatic reaction rate constants in strong magnetic fields. The theoretical results can explain the magnetic sensitivity of E. coli cell and demonstrate that intracellular enzymatic reactions are primary magnetoreceptors in living organisms. Bioelectromagnetics. 38:511-521, 2017. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

An experiment to verify that the weak interactions satisfy the strong equivalence principle. [electron capture and gravitational potential

NASA Technical Reports Server (NTRS)

Eby, P. B.

1978-01-01

The construction of a clock based on the beta decay process is proposed to test for any violations by the weak interaction of the strong equivalence principle bu determining whether the weak interaction coupling constant beta is spatially constant or whether it is a function of gravitational potential (U). The clock can be constructed by simply counting the beta disintegrations of some suitable source. The total number of counts are to be taken a measure of elapsed time. The accuracy of the clock is limited by the statistical fluctuations in the number of counts, N, which is equal to the square root of N. Increasing N gives a corresponding increase in accuracy. A source based on the electron capture process can be used so as to avoid low energy electron discrimination problems. Solid state and gaseous detectors are being considered. While the accuracy of this type of beta decay clock is much less than clocks based on the electromagnetic interaction, there is a corresponding lack of knowledge of the behavior of beta as a function of gravitational potential. No predictions from nonmetric theories as to variations in beta are available as yet, but they may occur at the U/sg C level.

Thermal and FTIR spectroscopic analysis of the interactions of aniline adsorbed on to MCM-41 mesoporous material.

PubMed

Eimer, Griselda A; Gómez Costa, Marcos B; Pierella, Liliana B; Anunziata, Oscar A

2003-07-15

The adsorption of aniline on Na-AlMCM-41 synthesized by us has been characterized by infrared spectroscopy, temperature programmed desorption (TPD), and differential thermal analysis methods. Aniline would be mostly bound to the mesostructure through weak pi interactions. On the mesostructure containing adsorbed water, the co-adsorption of aniline could occur by weak hydrogen bonding through surface water molecules. For water, two possible modes of adsorption have been identified. Different associations between aniline and hydrated and nonhydrated mesostructures have been evaluated in order to favor the posterior in situ polymerization of adsorbed aniline.

Theoretical investigation of the weak interaction between graphene and alcohol solvents

NASA Astrophysics Data System (ADS)

Wang, Haining; Chen, Sian; Lu, Shanfu; Xiang, Yan

2017-05-01

The dispersion of graphene in five different alcohol solvents was investigated by evaluating the binding energy between graphene and alcohol molecules using DFT-D method. The calculation showed the most stable binding energy appeared at the distance of ∼3.5 Å between graphene and alcohol molecules and increased linearly as changing the alcohol from methanol to 1-pentanol. The weak interaction was further graphically illustrated using the reduced density gradient method. The theoretical study revealed alcohols with more carbon atoms could be a good starting point for screening suitable solvents for graphene dispersion.

The lanthanide contraction beyond coordination chemistry

DOE PAGES

Ferru, Geoffroy; Reinhart, Benjamin; Bera, Mrinal K.; ...

2016-04-06

Lanthanide chemistry is dominated by the ‘lanthanide contraction’, which is conceptualized traditionally through coordination chemistry. Here we break this mold, presenting evidence that the lanthanide contraction manifests outside of the coordination sphere, influencing weak interactions between groups of molecules that drive mesoscale-assembly and emergent behavior in an amphiphile solution. Furthermore, changes in these weak interactions correlate with differences in lanthanide ion transport properties, suggesting new forces to leverage rare earth separation and refining. Our results show that the lanthanide contraction paradigm extends beyond the coordination sphere, influencing structure and properties usually associated with soft matter science.

The lanthanide contraction beyond coordination chemistry

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

Ferru, Geoffroy; Reinhart, Benjamin; Bera, Mrinal K.

Lanthanide chemistry is dominated by the ‘lanthanide contraction’, which is conceptualized traditionally through coordination chemistry. Here we break this mold, presenting evidence that the lanthanide contraction manifests outside of the coordination sphere, influencing weak interactions between groups of molecules that drive mesoscale-assembly and emergent behavior in an amphiphile solution. Furthermore, changes in these weak interactions correlate with differences in lanthanide ion transport properties, suggesting new forces to leverage rare earth separation and refining. Our results show that the lanthanide contraction paradigm extends beyond the coordination sphere, influencing structure and properties usually associated with soft matter science.

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

NASA Astrophysics Data System (ADS)

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

2018-05-01

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

The Acid-Base Titration of a Very Weak Acid: Boric Acid

ERIC Educational Resources Information Center

Celeste, M.; Azevedo, C.; Cavaleiro, Ana M. V.

2012-01-01

A laboratory experiment based on the titration of boric acid with strong base in the presence of d-mannitol is described. Boric acid is a very weak acid and direct titration with NaOH is not possible. An auxiliary reagent that contributes to the release of protons in a known stoichiometry facilitates the acid-base titration. Students obtain the…

Current algebra formulation of radiative corrections in gauge theories and the universality of the weak interactions

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

Sirlin, A.

1978-07-01

A current algebra formulation of the radiative corrections in gauge theories, with special applications to the analysis of the universality of the weak interactions, is developed in the framework of quantum chromodynamics. For definiteness, we work in the SU(2) x U(1) model with four quark flavors, but the methods are quite general and can be applied to other theories. The explicit cancellation of ultraviolet divergences for arbitrary semileptonic processes is achieved relying solely on the Ward identities and general considerations, both in the W and Higgs sectors. The finite parts of order G/sub F/..cap alpha.. are then evaluated in themore » case of the superallowed Fermi transitions, including small effects proportional to g/sup -2//sub S/(kappa/sup 2/), which are induced by the strong interactions in the asymptotic domain. We consider here both the simplest version of the Weinberg--Salam model in which the Higgs scalars transform as a single isospinsor, as well as the case of general symmetry breaking. Except for the small effects proportional to g/sup -2//sub S/(kappa/sup 2/), the results are identical to the answers previously found on the basis of heuristic arguments. The phenomenological verification of Cabibbo universality on the basis of these corrections and the superallowed Fermi transitions has been discussed before and found to be in very good agreement with present experimental evidence. The analogous calculation for the transition rate of pion ..beta.. decay is given. Theoretical alternatives to quantum chromdynamics as a framework for the evaluate ion of the radiative corrections are briefly discussed. The appendixes contain a generalization of an important result in the theory of radiative corrections, an analysis of the hadronic contributions to the W and phi propagators, mathematical methods for evaluating the g/sup -2//sub S/(kappa/sup 2/) corrections, and discussions of quark mass renormalization and the absence of operator ''seagulls'' in the hadronic correlation functions.« less

Influence of exchange group of modified glycidyl methacrylate polymer on phenol removal: A study by batch and continuous flow processes.

PubMed

Aversa, Thiago Muza; da Silva, Carla Michele Frota; da Rocha, Paulo Cristiano Silva; Lucas, Elizabete Fernandes

2016-11-01

Contamination of water by phenol is potentially a serious problem due to its high toxicity and its acid character. In this way some treatment process to remove or reduce the phenol concentration before contaminated water disposal on the environment is required. Currently, phenol can be removed by charcoal adsorption, but this process does not allow easy regeneration of the adsorbent. In contrast, polymeric resins are easily regenerated and can be reused in others cycles of adsorption process. In this work, the interaction of phenol with two polymeric resins was investigated, one of them containing a weakly basic anionic exchange group (GD-DEA) and the other, a strongly basic group (GD-QUAT). Both ion exchange resins were obtained through chemical modifications from a base porous resin composed of glycidyl methacrylate (GMA) and divinyl benzene (DVB). Evaluation tests with resins were carried out with 30 mg/L of phenol in water solution, at pH 6 and 10, employing two distinct processes: (i) batch, to evaluate the effect of temperature, and (ii) continuous flow, to assess the breakthrough of the resins. Batch tests revealed that the systems did not follow the model proposed by Langmuir due to the negative values obtained for the constant b and for the maximum adsorption capacity, Q0. However, satisfactory results for the constants KF and n allowed assuming that the behavior of systems followed the Freundlich model, leading to the conclusion that resin GD-DEA had the best interaction with the phenol when in a solution having pH 10 (phenoxide ions). The continuous flow tests corroborated this conclusion since the performance of GD-DEA in removing phenol was also best at pH 10, indicating that the greater availability of the electron pair in the resin with the weakly basic donor group contributed to enhance the resin's interaction with the phenoxide ions. Copyright © 2016 Elsevier Ltd. All rights reserved.

Physical origins of weak H 2 binding on carbon nanostructures: Insight from ab initio studies of chemically functionalized graphene nanoribbons

DOE PAGES

Ulman, Kanchan; Bhaumik, Debarati; Wood, Brandon C.; ...

2014-05-05

Here, we have performed ab initio density functional theory calculations, incorporating London dispersion corrections, to study the absorption of molecular hydrogen on zigzag graphene nanoribbons whose edges have been functionalized by OH, NH 2, COOH, NO 2, or H 2PO 3. We find that hydrogen molecules always preferentially bind at or near the functionalized edge, and display induced dipole moments. Binding is generally enhanced by the presence of polar functional groups. Furthermore, the largest gains are observed for groups with oxygen lone pairs that can facilitate local charge reorganization, with the biggest single enhancement in adsorption energy found for “strongmore » functionalization” by H 2PO 3 (115 meV/H 2 versus 52 meV/H 2 on bare graphene). We show that for binding on the “outer edge” near the functional group, the presence of the group can introduce appreciable contributions from Debye interactions and higher-order multipole electrostatic terms, in addition to the dominant London dispersion interactions. For those functional groups that contain the OH moiety, the adsorption energy is linearly proportional to the number of lone pairs on oxygen atoms. Mixed functionalization with two different functional groups on a graphene edge can also have a synergistic effect, particularly when electron-donating and electron-withdrawing groups are combined. For binding on the “inner edge” somewhat farther from the functional group, most of the binding again arises from London interactions; however, there is also significant charge redistribution in the π manifold, which directly reflects the electron donating or withdrawing capacity of the functional group. These results offer insight into the specific origins of weak binding of gas molecules on graphene, and suggest that edge functionalization could perhaps be used in combination with other strategies to increase the uptake of hydrogen in graphene. They also have relevance for the storage of hydrogen in porous carbon materials, such as activated carbons.« less

Integrated structural biology to unravel molecular mechanisms of protein-RNA recognition.

PubMed

Schlundt, Andreas; Tants, Jan-Niklas; Sattler, Michael

2017-04-15

Recent advances in RNA sequencing technologies have greatly expanded our knowledge of the RNA landscape in cells, often with spatiotemporal resolution. These techniques identified many new (often non-coding) RNA molecules. Large-scale studies have also discovered novel RNA binding proteins (RBPs), which exhibit single or multiple RNA binding domains (RBDs) for recognition of specific sequence or structured motifs in RNA. Starting from these large-scale approaches it is crucial to unravel the molecular principles of protein-RNA recognition in ribonucleoprotein complexes (RNPs) to understand the underlying mechanisms of gene regulation. Structural biology and biophysical studies at highest possible resolution are key to elucidate molecular mechanisms of RNA recognition by RBPs and how conformational dynamics, weak interactions and cooperative binding contribute to the formation of specific, context-dependent RNPs. While large compact RNPs can be well studied by X-ray crystallography and cryo-EM, analysis of dynamics and weak interaction necessitates the use of solution methods to capture these properties. Here, we illustrate methods to study the structure and conformational dynamics of protein-RNA complexes in solution starting from the identification of interaction partners in a given RNP. Biophysical and biochemical techniques support the characterization of a protein-RNA complex and identify regions relevant in structural analysis. Nuclear magnetic resonance (NMR) is a powerful tool to gain information on folding, stability and dynamics of RNAs and characterize RNPs in solution. It provides crucial information that is complementary to the static pictures derived from other techniques. NMR can be readily combined with other solution techniques, such as small angle X-ray and/or neutron scattering (SAXS/SANS), electron paramagnetic resonance (EPR), and Förster resonance energy transfer (FRET), which provide information about overall shapes, internal domain arrangements and dynamics. Principles of protein-RNA recognition and current approaches are reviewed and illustrated with recent studies. Copyright © 2017 Elsevier Inc. All rights reserved.

Volatile anesthetic binding to proteins is influenced by solvent and aliphatic residues.

PubMed

Streiff, John H; Jones, Keith A

2008-10-01

The main objective of this work was to characterize VA binding sites in multiple anesthetic target proteins. A computational algorithm was used to quantify the solvent exclusion and aliphatic character of amphiphilic pockets in the structures of VA binding proteins. VA binding sites in the protein structures were defined as the pockets with solvent exclusion and aliphatic character that exceeded minimum values observed in the VA binding sites of serum albumin, firefly luciferase, and apoferritin. We found that the structures of VA binding proteins are enriched in these pockets and that the predicted binding sites were consistent with experimental determined binding locations in several proteins. Autodock3 was used to dock the simulated molecules of 1,1,1,2,2-pentafluoroethane, difluoromethyl 1,1,1,2-tetrafluoroethyl ether, and sevoflurane and the isomers of halothane and isoflurane into these potential binding sites. We found that the binding of the various VA molecules to the amphiphilic pockets is driven primarily by VDW interactions and to a lesser extent by weak hydrogen bonding and electrostatic interactions. In addition, the trend in Delta G binding values follows the Meyer-Overton rule. These results suggest that VA potencies are related to the VDW interactions between the VA ligand and protein target. It is likely that VA bind to sites with a high degree of solvent exclusion and aliphatic character because aliphatic residues provide favorable VDW contacts and weak hydrogen bond donors. Water molecules occupying these sites maintain pocket integrity, associate with the VA ligand, and diminish the unfavorable solvation enthalpy of the VA. Water molecules displaced into the bulk by the VA ligand may provide an additional favorable enthalpic contribution to VA binding. Anesthesia is a component of many health related procedures, the outcomes of which could be improved with a better understanding of the molecular targets and mechanisms of anesthetic action.

Theoretical Modeling of the Magnetic Behavior of Thiacalix[4]arene Tetranuclear Mn(II)2Gd(III)2 and Co(II)2Eu(III)2 Complexes.

PubMed

Aldoshin, Sergey M; Sanina, Nataliya A; Palii, Andrew V; Tsukerblat, Boris S

2016-04-04

In view of a wide perspective of 3d-4f complexes in single-molecule magnetism, here we propose an explanation of the magnetic behavior of the two thiacalix[4]arene tetranuclear heterometallic complexes Mn(II)2Gd(III)2 and Co(II)2Eu(III)2. The energy pattern of the Mn(II)2Gd(III)2 complex evaluated in the framework of the isotropic exchange model exhibits a rotational band of the low-lying spin excitations within which the Landé intervals are affected by the biquadratic spin-spin interactions. The nonmonotonic temperature dependence of the χT product observed for the Mn(II)2Gd(III)2 complex is attributed to the competitive influence of the ferromagnetic Mn-Gd and antiferromagnetic Mn-Mn exchange interactions, the latter being stronger (J(Mn, Mn) = -1.6 cm(-1), Js(Mn, Gd) = 0.8 cm(-1), g = 1.97). The model for the Co(II)2Eu(III)2 complex includes uniaxial anisotropy of the seven-coordinate Co(II) ions and an isotropic exchange interaction in the Co(II)2 pair, while the Eu(III) ions are diamagnetic in their ground states. Best-fit analysis of χT versus T showed that the anisotropic contribution (arising from a large zero-field splitting in Co(II) ions) dominates (weak-exchange limit) in the Co(II)2Eu(III)2 complex (D = 20.5 cm(-1), J = -0.4 cm(-1), gCo = 2.22). This complex is concluded to exhibit an easy plane of magnetization (arising from the Co(II) pair). It is shown that the low-lying part of the spectrum can be described by a highly anisotropic effective spin-(1)/2 Hamiltonian that is deduced for the Co(II)2 pair in the weak-exchange limit.

Aerosol cloud interactions in southeast Pacific stratocumulus: satellite observations, in situ data and regional modeling

NASA Astrophysics Data System (ADS)

George, Rhea

The influence of anthropogenic aerosols on cloud radiative properties in the persistent southeast Pacific stratocumulus deck is investigated using MODIS satellite observations, in situ data from the VAMOS Ocean-Cloud-Atmosphere-Land Study Regional Experiment (VOCALS-REx), and WRF-Chem, a regional model with interactive chemistry and aerosols. An albedo proxy is derived based on the fractional coverage of low cloud (a macrophysical field) and the cloud albedo, with the latter broken down into contributions from microphysics (cloud droplet concentration, Nd and macrophysics (liquid water path). Albedo variability is dominated by low cloud fraction variability, except within 10-15° of the South American coast, where cloud albedo variability contributes significantly. Covariance between cloud fraction and cloud albedo also contributes significantly to the variance in albedo, which highlights how complex and inseparable the factors controlling albedo are. N d variability contributes only weakly, which emphasizes that attributing albedo variability to the indirect effects of aerosols against the backdrop of natural meteorological variability is extremely challenging. Specific cases of aerosol changes can have strong impacts on albedo. We identify a pathway for periodic anthropogenic aerosol transport to the unpolluted marine stratocumulus >1000 km offshore, which strongly enhances Nd and albedo in zonally-elongated 'hook'-shaped arc. Hook development occurs with Nd increasing to polluted levels over the remote ocean primarily due to entrainment of a large number of small aerosols from the free troposphere that contribute a relatively small amount of aerosol mass to the marine boundary layer. Strong, deep offshore flow needed to transport continental aerosols to the remote ocean is favored by a trough approaching the South American coast and a southeastward shift of the climatological subtropical high pressure system. DMS significantly influences the aerosol number and size distributions, but does not cause hooks. The Twomey effect contributes 50-80% of the total aerosol indirect effect (AIE) both near sources and offshore during hook events. Meteorological variability between simulations can swamp the signal of AIEs, particularly due to the binary model cloud fraction field and distinguishing AIE requires determination of appropriate spatial and temporal averaging scales over which AIE is significant above this noise.

Quantifying the Negative Feedback of Vegetation to Greenhouse Warming: A Modeling Approach

NASA Technical Reports Server (NTRS)

Bounous, L.; Hall, F. G.; Sellers, P. J.; Kumar, A.; Collatz, G. J.; Tucker, C. J.; Imhoff, M. L.

2010-01-01

Several climate models indicate that in a 2 x CO2 environment, temperature and precipitation would increase and runoff would increase faster than precipitation. These models, however, did not allow the vegetation to increase its leaf density as a response to the physiological effects of increased CO2 and consequent changes in climate. Other assessments included these interactions but did not account for the vegetation down-regulation to reduce plant's photosynthetic activity and as such resulted in a weak vegetation negative response. When we combine these interactions in climate simulations with 2 x CO2, the associated increase in precipitation contributes primarily to increase evapotranspiration rather than surface runoff, consistent with observations, and results in an additional cooling effect not fully accounted for in previous simulations with elevated CO2. By accelerating the water cycle, this feedback slows but does not alleviate the projected warming, reducing the land surface warming by 0.6 C. Compared to previous studies, these results imply that long term negative feedback from CO2-induced increases in vegetation density could reduce temperature following a stabilization of CO2 concentration.

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.

A comprehensive conceptual framework for road safety strategies.

PubMed

Hughes, B P; Anund, A; Falkmer, T

2016-05-01

Road safety strategies (generally called Strategic Highway Safety Plans in the USA) provide essential guidance for actions to improve road safety, but often lack a conceptual framework that is comprehensive, systems theory based, and underpinned by evidence from research and practice. This paper aims to incorporate all components, policy tools by which they are changed, and the general interactions between them. A framework of nine mutually interacting components that contribute to crashes and ten generic policy tools which can be applied to reduce the outcomes of these crashes was developed and used to assess 58 road safety strategies from 22 countries across 15 years. The work identifies the policy tools that are most and least widely applied to components, highlighting the potential for improvements to any individual road safety strategy, and the potential strengths and weaknesses of road safety strategies in general. The framework also provides guidance for the development of new road safety strategies, identifying potential consequences of policy tool based measures with regard to exposure and risk, useful for both mobility and safety objectives. Copyright © 2016 Elsevier Ltd. All rights reserved.

A bottom-up approach to the strong CP problem

NASA Astrophysics Data System (ADS)

Diaz-Cruz, J. L.; Hollik, W. G.; Saldana-Salazar, U. J.

2018-05-01

The strong CP problem is one of many puzzles in the theoretical description of elementary particle physics that still lacks an explanation. While top-down solutions to that problem usually comprise new symmetries or fields or both, we want to present a rather bottom-up perspective. The main problem seems to be how to achieve small CP violation in the strong interactions despite the large CP violation in weak interactions. In this paper, we show that with minimal assumptions on the structure of mass (Yukawa) matrices, they do not contribute to the strong CP problem and thus we can provide a pathway to a solution of the strong CP problem within the structures of the Standard Model and no extension at the electroweak scale is needed. However, to address the flavor puzzle, models based on minimal SU(3) flavor groups leading to the proposed flavor matrices are favored. Though we refrain from an explicit UV completion of the Standard Model, we provide a simple requirement for such models not to show a strong CP problem by construction.

Structural and electronic properties of graphene nanoflakes on Au(111) and Ag(111)

PubMed Central

Tesch, Julia; Leicht, Philipp; Blumenschein, Felix; Gragnaniello, Luca; Fonin, Mikhail; Marsoner Steinkasserer, Lukas Eugen; Paulus, Beate; Voloshina, Elena; Dedkov, Yuriy

2016-01-01

We investigate the electronic properties of graphene nanoflakes on Ag(111) and Au(111) surfaces by means of scanning tunneling microscopy and spectroscopy as well as density functional theory calculations. Quasiparticle interference mapping allows for the clear distinction of substrate-derived contributions in scattering and those originating from graphene nanoflakes. Our analysis shows that the parabolic dispersion of Au(111) and Ag(111) surface states remains unchanged with the band minimum shifted to higher energies for the regions of the metal surface covered by graphene, reflecting a rather weak interaction between graphene and the metal surface. The analysis of graphene-related scattering on single nanoflakes yields a linear dispersion relation E(k), with a slight p-doping for graphene/Au(111) and a larger n-doping for graphene/Ag(111). The obtained experimental data (doping level, band dispersions around EF, and Fermi velocity) are very well reproduced within DFT-D2/D3 approaches, which provide a detailed insight into the site-specific interaction between graphene and the underlying substrate. PMID:27002297

Elastic interaction among transition metals in one-dimensional spin-crossover solids

NASA Astrophysics Data System (ADS)

Boukheddaden, K.; Miyashita, S.; Nishino, M.

2007-03-01

We present an exact examination of a one-dimensional (1D) spin-phonon model describing the thermodynamical properties of spin-crossover (SC) solids. This model has the advantage of giving a physical mechanism for the interaction between the SC units. The origin of the interaction comes from the fact that the elastic constant of the spring linking two atoms depends on their electronic states. This leads to local variation of the elastic constant. Up to now, all the statistical studies of this model have been performed in the frame of the mean-field (MF) approach, which is not adequate to describe 1D systems with short-range interactions. An alternative method, based on the variational approach and taking into account the short-range correlations between neighboring molecules, was also suggested, but it consists in an extension of the previous MF approximation. Here, we solve exactly this Hamiltonian in the frame of classical statistical mechanics using the transfer-matrix technique. The temperature dependence of the high spin fraction and that of the total energy are obtained analytically. Our results clearly show that there is a clear tendency to a sharp transition when we tune the elastic constants adequately, which indicates that first-order phase transition takes place at higher dimensions. In addition, we demonstrate the existence of an interesting isomorphism between the present model and Ising model under effective interaction and effective ligand field energy, in which both depend linearly on temperature and both come from the phonon contribution. We have also studied the effect of the pressure (the tension) on the thermodynamical properties of the high spin (HS) fraction and have found a nontrivial pressure effect that while for weak tension values, the low spin state is stabilized for the pressure above a threshold value, it enhances the interaction between the HS states. Finally, we have also introduced elastic interactions between the chains. Treating exactly (in mean field) the intrachain (interchain) contributions, we found that our model leads us to obtain first-order spin transitions when both short- and long-range interactions are ferroelastic. We show also that competing (antiferroelastic short-range and ferroelastic long-range) interactions between spin-state ions reproduce qualitatively the two-step-like spin-crossover transitions.

Ciprofloxacin and statin interaction: a cautionary tale of rhabdomyolysis.

PubMed

Goldie, Fraser Charles; Brogan, Amy; Boyle, James Graham

2016-07-28

A 62-year-old woman presented to hospital, on general practitioner (GP) advice, with a 15-day history of slowly progressing muscle weakness. Results showed newly deranged liver function and creatine kinase (CK) of >24 000. Prior medical history includes previous myocardial infarction and recurrent urinary tract infection. 4 days prior to symptom onset, the patient developed typical urinary tract infection symptoms, treated with ciprofloxacin. The patient had been taking simvastatin (40 mg nocte) for 13 years and had never previously taken ciprofloxacin. Initial management included intravenous crystalloid fluids and discontinuation of simvastatin. CK level fell, liver function slowly improved and renal function remained stable. Muscle weakness improved and the patient became independently able to perform activities of daily living. While the interactions between statins and other antibiotics are well documented, the interaction between statins and ciprofloxacin is less so. The consequences of this interaction can have potentially serious outcomes. 2016 BMJ Publishing Group Ltd.

Two Impurities in a Bose-Einstein Condensate: From Yukawa to Efimov Attracted Polarons

NASA Astrophysics Data System (ADS)

Naidon, Pascal

2018-04-01

The well-known Yukawa and Efimov potentials are two different mediated interaction potentials. The first one arises in quantum field theory from the exchange of virtual particles. The second one is mediated by a real particle resonantly interacting with two other particles. This Letter shows how two impurities immersed in a Bose-Einstein condensate can exhibit both phenomena. For a weak attraction with the condensate, the two impurities form two polarons that interact through a weak Yukawa attraction mediated by virtual excitations. For a resonant attraction with the condensate, the exchanged excitation becomes a real boson and the mediated interaction changes to a strong Efimov attraction that can bind the two polarons. The resulting bipolarons turn into in-medium Efimov trimers made of the two impurities and one boson. Evidence of this physics could be seen in ultracold mixtures of atoms.

Soliton interactions, Bäcklund transformations, Lax pair for a variable-coefficient generalized dispersive water-wave system

NASA Astrophysics Data System (ADS)

Liu, Lei; Tian, Bo; Zhen, Hui-Ling; Liu, De-Yin; Xie, Xi-Yang

2018-04-01

Under investigation in this paper is a variable-coefficient generalized dispersive water-wave system, which can simulate the propagation of the long weakly non-linear and weakly dispersive surface waves of variable depth in the shallow water. Under certain variable-coefficient constraints, by virtue of the Bell polynomials, Hirota method and symbolic computation, the bilinear forms, one- and two-soliton solutions are obtained. Bäcklund transformations and new Lax pair are also obtained. Our Lax pair is different from that previously reported. Based on the asymptotic and graphic analysis, with different forms of the variable coefficients, we find that there exist the elastic interactions for u, while either the elastic or inelastic interactions for v, with u and v as the horizontal velocity field and deviation height from the equilibrium position of the water, respectively. When the interactions are inelastic, we see the fission and fusion phenomena.

Energy economy in the actomyosin interaction: lessons from simple models.

PubMed

Lehman, Steven L

2010-01-01

The energy economy of the actomyosin interaction in skeletal muscle is both scientifically fascinating and practically important. This chapter demonstrates how simple cross-bridge models have guided research regarding the energy economy of skeletal muscle. Parameter variation on a very simple two-state strain-dependent model shows that early events in the actomyosin interaction strongly influence energy efficiency, and late events determine maximum shortening velocity. Addition of a weakly-bound state preceding force production allows weak coupling of cross-bridge mechanics and ATP turnover, so that a simple three-state model can simulate the velocity-dependence of ATP turnover. Consideration of the limitations of this model leads to a review of recent evidence regarding the relationship between ligand binding states, conformational states, and macromolecular structures of myosin cross-bridges. Investigation of the fine structure of the actomyosin interaction during the working stroke continues to inform fundamental research regarding the energy economy of striated muscle.

A Spectroscopic and Theoretical Study of Weak Intramolecular OH\\cdots π Interactions in Allyl Carbinol and Methallyl Carbinol

NASA Astrophysics Data System (ADS)

Schroeder, Sidsel D.; Mackeprang, Kasper; Kjaergaard, Henrik G.

2013-06-01

The weak intramolecular OH\\cdots π interactions in allyl carbinol and methallyl carbinol have been studied using a combination of NIR spectroscopy and theory. The third OH-stretching overtone region of vapor phase allyl carbinol and methallyl carbinol have been recorded with intracavity laser photoacoustic spectroscopy to study the effect of an enhanced OH\\cdots π interaction in methallyl carbinol arising from the electron donating methyl group. Local mode calculations were employed to assign the observed bands. The OH-stretching transition frequency of methallyl carbinol was observed to be red shifted relative to the OH-stretching transition frequency of allyl carbinol. A red shift of the transition frequency is in this context normally interpreted as a signature of hydrogen bonding. Whether the OH\\cdots π interaction can be categorized as a hydrogen bond will be discussed in this talk.

How weak values emerge in joint measurements on cloned quantum systems.

PubMed

Hofmann, Holger F

2012-07-13

A statistical analysis of optimal universal cloning shows that it is possible to identify an ideal (but nonpositive) copying process that faithfully maps all properties of the original Hilbert space onto two separate quantum systems, resulting in perfect correlations for all observables. The joint probabilities for noncommuting measurements on separate clones then correspond to the real parts of the complex joint probabilities observed in weak measurements on a single system, where the measurements on the two clones replace the corresponding sequence of weak measurement and postselection. The imaginary parts of weak measurement statics can be obtained by replacing the cloning process with a partial swap operation. A controlled-swap operation combines both processes, making the complete weak measurement statistics accessible as a well-defined contribution to the joint probabilities of fully resolved projective measurements on the two output systems.

Distinct effects of anthropogenic aerosols on the East Asian summer monsoon between multidecadal strong and weak monsoon stages

DOE PAGES

Xie, Xiaoning; Wang, Hongli; Liu, Xiaodong; ...

2016-06-18

Industrial emissions of anthropogenic aerosols over East Asia have greatly increased in recent decades, and so the interactions between atmospheric aerosols and the East Asian summer monsoon (EASM) have attracted enormous attention. In order to further understand the aerosol-EASM interaction, we investigate the impacts of anthropogenic aerosols on the EASM during the multidecadal strong (1950–1977) and weak (1978–2000) EASM stages using the Community Atmospheric Model 5.1. Numerical experiments are conducted for the whole period, including the two different EASM stages, with present day (PD, year 2000) and preindustrial (PI, year 1850) aerosol emissions, as well as the observed time-varying aerosolmore » emissions. A comparison of the results from PD and PI shows that, with the increase in anthropogenic aerosols, the large-scale EASM intensity is weakened to a greater degree (-9.8%) during the weak EASM stage compared with the strong EASM stage (-4.4%). The increased anthropogenic aerosols also result in a significant reduction in precipitation over North China during the weak EASM stage, as opposed to a statistically insignificant change during the strong EASM stage. Because of greater aerosol loading and the larger sensitivity of the climate system during weak EASM stages, the aerosol effects are more significant during these EASM stages. Moreover, these results suggest that anthropogenic aerosols from the same aerosol emissions have distinct effects on the EASM and the associated precipitation between the multidecadal weak and strong EASM stages.« less

A study of the b-quark fragmentation function with the DELPHI detector at LEP I and an averaged distribution obtained at the Z Pole

NASA Astrophysics Data System (ADS)

Abdallah, J.; Abreu, P.; Adam, W.; Adzic, P.; Albrecht, T.; Alemany-Fernandez, R.; Allmendinger, T.; Allport, P. P.; Amaldi, U.; Amapane, N.; Amato, S.; Anashkin, E.; Andreazza, A.; Andringa, S.; Anjos, N.; Antilogus, P.; Apel, W.-D.; Arnoud, Y.; Ask, S.; Asman, B.; Augustin, J. E.; Augustinus, A.; Baillon, P.; Ballestrero, A.; Bambade, P.; Barbier, R.; Bardin, D.; Barker, G. J.; Baroncelli, A.; Battaglia, M.; Baubillier, M.; Becks, K.-H.; Begalli, M.; Behrmann, A.; Ben-Haim, E.; Benekos, N.; Benvenuti, A.; Berat, C.; Berggren, M.; Bertrand, D.; Besancon, M.; Besson, N.; Bloch, D.; Blom, M.; Bluj, M.; Bonesini, M.; Boonekamp, M.; Booth, P. S. L.; Borisov, G.; Botner, O.; Bouquet, B.; Bowcock, T. J. V.; Boyko, I.; Bracko, M.; Brenner, R.; Brodet, E.; Bruckman, P.; Brunet, J. M.; Buschbeck, B.; Buschmann, P.; Calvi, M.; Camporesi, T.; Canale, V.; Carena, F.; Castro, N.; Cavallo, F.; Chapkin, M.; Charpentier, Ph.; Checchia, P.; Chierici, R.; Chliapnikov, P.; Chudoba, J.; Chung, S. U.; Cieslik, K.; Collins, P.; Contri, R.; Cosme, G.; Cossutti, F.; Costa, M. J.; Crennell, D.; Cuevas, J.; D'Hondt, J.; da Silva, T.; Da Silva, W.; Della Ricca, G.; De Angelis, A.; De Boer, W.; De Clercq, C.; De Lotto, B.; De Maria, N.; De Min, A.; de Paula, L.; Di Ciaccio, L.; Di Simone, A.; Doroba, K.; Drees, J.; Eigen, G.; Ekelof, T.; Ellert, M.; Elsing, M.; Espirito Santo, M. C.; Fanourakis, G.; Fassouliotis, D.; Feindt, M.; Fernandez, J.; Ferrer, A.; Ferro, F.; Flagmeyer, U.; Foeth, H.; Fokitis, E.; Fulda-Quenzer, F.; Fuster, J.; Gandelman, M.; Garcia, C.; Gavillet, Ph.; Gazis, E.; Gokieli, R.; Golob, B.; Gomez-Ceballos, G.; Goncalves, P.; Graziani, E.; Grosdidier, G.; Grzelak, K.; Guy, J.; Haag, C.; Hallgren, A.; Hamacher, K.; Hamilton, K.; Haug, S.; Hauler, F.; Hedberg, V.; Hennecke, M.; Hoffman, J.; Holmgren, S.-O.; Holt, P. J.; Houlden, M. A.; Jackson, J. N.; Jarlskog, G.; Jarry, P.; Jeans, D.; Johansson, E. K.; Jonsson, P.; Joram, C.; Jungermann, L.; Kapusta, F.; Katsanevas, S.; Katsoufis, E.; Kernel, G.; Kersevan, B. P.; Kerzel, U.; King, B. T.; Kjaer, N. J.; Kluit, P.; Kokkinias, P.; Kourkoumelis, C.; Kouznetsov, O.; Krumstein, Z.; Kucharczyk, M.; Lamsa, J.; Leder, G.; Ledroit, F.; Leinonen, L.; Leitner, R.; Lemonne, J.; Lepeltier, V.; Lesiak, T.; Liebig, W.; Liko, D.; Lipniacka, A.; Lopes, J. H.; Lopez, J. M.; Loukas, D.; Lutz, P.; Lyons, L.; MacNaughton, J.; Malek, A.; Maltezos, S.; Mandl, F.; Marco, J.; Marco, R.; Marechal, B.; Margoni, M.; Marin, J.-C.; Mariotti, C.; Markou, A.; Martinez-Rivero, C.; Masik, J.; Mastroyiannopoulos, N.; Matorras, F.; Matteuzzi, C.; Mazzucato, F.; Mazzucato, M.; Mc Nulty, R.; Meroni, C.; Migliore, E.; Mitaroff, W.; Mjoernmark, U.; Moa, T.; Moch, M.; Moenig, K.; Monge, R.; Montenegro, J.; Moraes, D.; Moreno, S.; Morettini, P.; Mueller, U.; Muenich, K.; Mulders, M.; Mundim, L.; Murray, W.; Muryn, B.; Myatt, G.; Myklebust, T.; Nassiakou, M.; Navarria, F.; Nawrocki, K.; Nemecek, S.; Nicolaidou, R.; Nikolenko, M.; Oblakowska-Mucha, A.; Obraztsov, V.; Olshevski, A.; Onofre, A.; Orava, R.; Osterberg, K.; Ouraou, A.; Oyanguren, A.; Paganoni, M.; Paiano, S.; Palacios, J. P.; Palka, H.; Papadopoulou, Th. D.; Pape, L.; Parkes, C.; Parodi, F.; Parzefall, U.; Passeri, A.; Passon, O.; Peralta, L.; Perepelitsa, V.; Perrotta, A.; Petrolini, A.; Piedra, J.; Pieri, L.; Pierre, F.; Pimenta, M.; Piotto, E.; Podobnik, T.; Poireau, V.; Pol, M. E.; Polok, G.; Pozdniakov, V.; Pukhaeva, N.; Pullia, A.; Radojicic, D.; Rebecchi, P.; Rehn, J.; Reid, D.; Reinhardt, R.; Renton, P.; Richard, F.; Ridky, J.; Rivero, M.; Rodriguez, D.; Romero, A.; Ronchese, P.; Roudeau, P.; Rovelli, T.; Ruhlmann-Kleider, V.; Ryabtchikov, D.; Sadovsky, A.; Salmi, L.; Salt, J.; Sander, C.; Savoy-Navarro, A.; Schwickerath, U.; Sekulin, R.; Siebel, M.; Sisakian, A.; Smadja, G.; Smirnova, O.; Sokolov, A.; Sopczak, A.; Sosnowski, R.; Spassov, T.; Stanitzki, M.; Stocchi, A.; Strauss, J.; Stugu, B.; Szczekowski, M.; Szeptycka, M.; Szumlak, T.; Tabarelli, T.; Tegenfeldt, F.; Timmermans, J.; Tkatchev, L.; Tobin, M.; Todorovova, S.; Tome, B.; Tonazzo, A.; Tortosa, P.; Travnicek, P.; Treille, D.; Tristram, G.; Trochimczuk, M.; Troncon, C.; Turluer, M.-L.; Tyapkin, I. A.; Tyapkin, P.; Tzamarias, S.; Uvarov, V.; Valenti, G.; Van Dam, P.; Van Eldik, J.; van Remortel, N.; Van Vulpen, I.; Vegni, G.; Veloso, F.; Venus, W.; Verdier, P.; Verzi, V.; Vilanova, D.; Vitale, L.; Vrba, V.; Wahlen, H.; Washbrook, A. J.; Weiser, C.; Wicke, D.; Wickens, J.; Wilkinson, G.; Winter, M.; Witek, M.; Yushchenko, O.; Zalewska, A.; Zalewski, P.; Zavrtanik, D.; Zhuravlov, V.; Zimin, N. I.; Zintchenko, A.; Zupan, M.

2011-02-01

The nature of b-quark jet hadronisation has been investigated using data taken at the Z peak by the DELPHI detector at LEP. Two complementary methods are used to reconstruct the energy of weakly decaying b-hadrons, EB^{weak}. The average value of x^{weak}B = EB^{weak}/E_{beam} is measured to be 0.699±0.011. The resulting x^{weak}B distribution is then analysed in the framework of two choices for the perturbative contribution (parton shower and Next to Leading Log QCD calculation) in order to extract measurements of the non-perturbative contribution to be used in studies of b-hadron production in other experimental environments than LEP. In the parton shower framework, data favour the Lund model ansatz and corresponding values of its parameters have been determined within PYTHIA 6.156 from DELPHI data: a= 1.84^{+0.23}_{-0.21}quadandquad b=0.642^{+0.073}_{-0.063} GeV^{-2}, with a correlation factor ρ=92.2%. Combining the data on the b-quark fragmentation distributions with those obtained at the Z peak by ALEPH, OPAL and SLD, the average value of x^{weak}B is found to be 0.7092±0.0025 and the non-perturbative fragmentation component is extracted. Using the combined distribution, a better determination of the Lund parameters is also obtained: a= 1.48^{+0.11}_{-0.10}quadandquad b=0.509^{+0.024}_{-0.023} GeV^{-2}, with a correlation factor ρ=92.6%.

Critical exponents and universal magnetic behavior of noncentrosymmetric Fe0.6Co0.4Si.

PubMed

Samatham, S Shanmukharao; Suresh, K G

2018-05-31

The critical magnetic properties of a non-centrosymmetric B20 cubic helimagnet Fe 0.6 Co 0.4 Si are investigated using magnetization isotherms. It belongs to the 3D-Heisenberg universality class with short range magnetic coupling as inferred from the self-consistent critical exponents [Formula: see text], [Formula: see text], [Formula: see text] and [Formula: see text] in combination with exchange interaction [Formula: see text]. Itinerant magnetic nature of the compound is realized by the Rhodes-Wholfarth analysis. Field-induced weak first (para[Formula: see text]helical) to second (para[Formula: see text]field-polarized) order transition is reported to occur at low critical field due to the weak spin-orbit coupling arising from the weak Dzyaloshinksii-Moriya interactions. Our study suggests the distinct phenomenological magnetic structures for Fe-based cubic magnets (Fe 1-x Co x Si and FeGe) and MnSi which cause contrasting physical properties.

X-ray electron density investigation of chemical bonding in van der Waals materials

NASA Astrophysics Data System (ADS)

Kasai, Hidetaka; Tolborg, Kasper; Sist, Mattia; Zhang, Jiawei; Hathwar, Venkatesha R.; Filsø, Mette Ø.; Cenedese, Simone; Sugimoto, Kunihisa; Overgaard, Jacob; Nishibori, Eiji; Iversen, Bo B.

2018-03-01

Van der Waals (vdW) solids have attracted great attention ever since the discovery of graphene, with the essential feature being the weak chemical bonding across the vdW gap. The nature of these weak interactions is decisive for many extraordinary properties, but it is a strong challenge for current theory to accurately model long-range electron correlations. Here we use synchrotron X-ray diffraction data to precisely determine the electron density in the archetypal vdW solid, TiS2, and compare the results with density functional theory calculations. Quantitative agreement is observed for the chemical bonding description in the covalent TiS2 slabs, but significant differences are identified for the interactions across the gap, with experiment revealing more electron deformation than theory. The present data provide an experimental benchmark for testing theoretical models of weak chemical bonding.

Linear and weakly nonlinear aspects of free shear layer instability, roll-up, subharmonic interaction and wall influence

NASA Technical Reports Server (NTRS)

Cain, A. B.; Thompson, M. W.

1986-01-01

The growth of the momentum thickness and the modal disturbance energies are examined to study the nature and onset of nonlinearity in a temporally growing free shear layer. A shooting technique is used to find solutions to the linearized eigenvalue problem, and pseudospectral weakly nonlinear simulations of this flow are obtained for comparison. The roll-up of a fundamental disturbance follows linear theory predictions even with a 20 percent disturbance amplitude. A weak nonlinear interaction of the disturbance creates a finite-amplitude mean shear stress which dominates the growth of the layer momentum thickness, and the disturbance growth rate changes until the fundamental disturbance dominates. The fundamental then becomes an energy source for the harmonic, resulting in an increase in the growth rate of the subharmonic over the linear prediction even when the fundamental has no energy to give. Also considered are phase relations and the wall influence.

Weak- versus strong-disorder superfluid—Bose glass transition in one dimension

NASA Astrophysics Data System (ADS)

Doggen, Elmer V. H.; Lemarié, Gabriel; Capponi, Sylvain; Laflorencie, Nicolas

2017-11-01

Using large-scale simulations based on matrix product state and quantum Monte Carlo techniques, we study the superfluid to Bose glass transition for one-dimensional attractive hard-core bosons at zero temperature, across the full regime from weak to strong disorder. As a function of interaction and disorder strength, we identify a Berezinskii-Kosterlitz-Thouless critical line with two different regimes. At small attraction where critical disorder is weak compared to the bandwidth, the critical Luttinger parameter Kc takes its universal Giamarchi-Schulz value Kc=3 /2 . Conversely, a nonuniversal Kc>3 /2 emerges for stronger attraction where weak-link physics is relevant. In this strong-disorder regime, the transition is characterized by self-similar power-law-distributed weak links with a continuously varying characteristic exponent α .

Weak-value amplification as an optimal metrological protocol

NASA Astrophysics Data System (ADS)

Alves, G. Bié; Escher, B. M.; de Matos Filho, R. L.; Zagury, N.; Davidovich, L.

2015-06-01

The implementation of weak-value amplification requires the pre- and postselection of states of a quantum system, followed by the observation of the response of the meter, which interacts weakly with the system. Data acquisition from the meter is conditioned to successful postselection events. Here we derive an optimal postselection procedure for estimating the coupling constant between system and meter and show that it leads both to weak-value amplification and to the saturation of the quantum Fisher information, under conditions fulfilled by all previously reported experiments on the amplification of weak signals. For most of the preselected states, full information on the coupling constant can be extracted from the meter data set alone, while for a small fraction of the space of preselected states, it must be obtained from the postselection statistics.

Evaluation of the in vitro/in vivo potential of five berries (bilberry, blueberry, cranberry, elderberry, and raspberry ketones) commonly used as herbal supplements to inhibit uridine diphospho-glucuronosyltransferase.

PubMed

Choi, Eu Jin; Park, Jung Bae; Yoon, Kee Dong; Bae, Soo Kyung

2014-10-01

In this study, we evaluated inhibitory potentials of popularly-consumed berries (bilberry, blueberry, cranberry, elderberry, and raspberry ketones) as herbal supplements on UGT1A1, UGT1A4, UGT1A6, UGT1A9, and UGT2B7 in vitro. We also investigated the potential herb-drug interaction via UGT1A1 inhibition by blueberry in vivo. We demonstrated that these berries had only weak inhibitory effects on the five UGTs. Bilberry and elderberry had no apparent inhibitions. Blueberry weakly inhibited UGT1A1 with an IC50 value of 62.4±4.40 μg/mL and a Ki value of 53.1 μg/mL. Blueberry also weakly inhibited UGT2B7 with an IC50 value of 147±11.1 μg/mL. In addition, cranberry weakly inhibited UGT1A9 activity (IC50=458±49.7 μg/mL) and raspberry ketones weakly inhibited UGT2B7 activity (IC50=248±28.2 μg/mL). Among tested berries, blueberry showed the lowest IC50 value in the inhibition of UGT1A1 in vitro. However, the co-administration of blueberry had no effect on the pharmacokinetics of irinotecan and its active metabolite, SN-38, which was mainly eliminated via UGT1A1, in vivo. Our data suggests that these five berries are unlikely to cause clinically significant herb-drug interactions mediated via inhibition of UGT enzymes involved in drug metabolism. These findings should enable an understanding of herb-drug interactions for the safe use of popularly-consumed berries. Copyright © 2014 Elsevier Ltd. All rights reserved.

The interaction between a propagating coastal vortex and topographic waves

NASA Astrophysics Data System (ADS)

Parry, Simon Wyn

This thesis investigates the motion of a point vortex near coastal topography in a rotating frame of reference at constant latitude (f-plane) in the linear and weakly nonlinear limits. Topography is considered in the form of an infinitely long escarpment running parallel to a wall. The vortex motion and topographic waves are governed by the conservation of quasi-geostrophic potential vorticity in shallow water, from which a nonlinear system of equations is derived. First the linear limit is studied for three cases; a weak vortex on- and off-shelf and a weak vortex close to the wall. For the first two cases it is shown that to leading order the vortex motion is stationary and a solution for the topographic waves at the escarpment can be found in terms of Fourier integrals. For a weak vortex close to a wall, the leading order solution is a steadily propagating vortex with a topographic wavetrain at the step. Numerical results for the higher order interactions are also presented and explained in terms of conservation of momentum in the along-shore direction. For the second case a resonant interaction between the vortex and the waves occurs when the vortex speed is equal to the maximum group velocity of the waves and the linear response becomes unbounded at large times. Thus it becomes necessary to examine the weakly nonlinear near-resonant case. Using a long wave approximation a nonlinear evolution equation for the interface separating the two regions of differing relative potential vorticity is derived and has similar form to the BDA (Benjamin, Davies, Acrivos 1967) equation. Results for the leading order steadily propagating vortex and for the vortex-wave feedback problem are calculated numerically using spectral multi-step Adams methods.