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Sample records for strong hydrophobic interactions

  1. Testing strong interaction theories

    International Nuclear Information System (INIS)

    Ellis, J.

    1979-01-01

    The author discusses possible tests of the current theories of the strong interaction, in particular, quantum chromodynamics. High energy e + e - interactions should provide an excellent means of studying the strong force. (W.D.L.)

  2. Water on hydrophobic surfaces: Mechanistic modeling of hydrophobic interaction chromatography.

    Science.gov (United States)

    Wang, Gang; Hahn, Tobias; Hubbuch, Jürgen

    2016-09-23

    Mechanistic models are successfully used for protein purification process development as shown for ion-exchange column chromatography (IEX). Modeling and simulation of hydrophobic interaction chromatography (HIC) in the column mode has been seldom reported. As a combination of these two techniques is often encountered in biopharmaceutical purification steps, accurate modeling of protein adsorption in HIC is a core issue for applying holistic model-based process development, especially in the light of the Quality by Design (QbD) approach. In this work, a new mechanistic isotherm model for HIC is derived by consideration of an equilibrium between well-ordered water molecules and bulk-like ordered water molecules on the hydrophobic surfaces of protein and ligand. The model's capability of describing column chromatography experiments is demonstrated with glucose oxidase, bovine serum albumin (BSA), and lysozyme on Capto™ Phenyl (high sub) as model system. After model calibration from chromatograms of bind-and-elute experiments, results were validated with batch isotherms and prediction of further gradient elution chromatograms. Copyright © 2016 Elsevier B.V. All rights reserved.

  3. Hydrophobic interactions of phenoxazine modulators with bovine ...

    Indian Academy of Sciences (India)

    concentration of the drugs, higher numbers being obtained at higher drug concentrations. These results suggest that phenothiazine derivatives are bound by hydrophobic interaction to the aromatic amino acids of the BSA molecule and that, under the influence of high drug concentrations, the number of available sites ...

  4. Strong interaction and QFD

    International Nuclear Information System (INIS)

    Ebata, T.

    1981-01-01

    With an assumed weak multiplet structure for bosonic hadrons, which is consistent with the ΔI = 1/2 rule, it is shown that the strong interaction effective hamiltonian is compatible with the weak SU(2) x U(1) gauge transformation. Especially the rho-meson transforms as a triplet under SU(2)sub(w), and this is the origin of the rho-photon analogy. It is also shown that the existence of the non-vanishing Cabibbo angle is a necessary condition for the absence of the exotic hadrons. (orig.)

  5. Phenomenological Model of Hydrophobic and Hydrophilic Interactions

    Science.gov (United States)

    Menshikov, L. I.; Menshikov, P. L.; Fedichev, P. O.

    2017-12-01

    Hydration forces acting between macroscopic bodies at distances L ≤ 3 nm in pure water are calculated based on the phenomenological model of polar liquids. It is shown that depending on the properties of the bodies, the interacting surfaces polarize the liquid differently, and wetting properties of the surfaces are completely characterized by two parameters. If the surfaces are hydrophilic, liquid molecules are polarized at right angles to the surfaces, and the interaction is the short-range repulsion (the forces of interaction decrease exponentially over the characteristic length λ ≈ 0.2 nm). The interaction between the hydrophobic surfaces is more diversified and has been studied less. For L ≤ 3 nm, the interaction exhibits universal properties, while for L ≤ 3 nm, it considerably depends on the properties of the surfaces and on the distances between them, as well as on the composition of the polar liquid. In full agreement with the available experimental results we find that if the interfaces are mostly hydrophobic, then the interaction is attractive and long-range (the interaction forces diminish exponentially with decay length 1.2 nm). In this case, the resultant polarization of water molecules is parallel to the surface. It is shown that hydration forces are determined by nonlinear effects of polarization of the liquid in the bulk or by analogous nonlinearity of the interaction of water with a submerged body. This means that the forces of interaction cannot be calculated correctly in the linear response approximation. The forces acting between hydrophobic or hydrophilic surfaces are of the entropy type or electrostatic, respectively. It is shown that hydrophobic and hydrophilic surfaces for L ≤ 3 nm repel each other. The calculated intensity of their interaction is in agreement with experimental data. We predict the existence of an intermediate regime in which a body cannot order liquid molecules, which results in a much weaker attraction that

  6. Strong-interaction nonuniversality

    International Nuclear Information System (INIS)

    Volkas, R.R.; Foot, R.; He, X.; Joshi, G.C.

    1989-01-01

    The universal QCD color theory is extended to an SU(3) 1 direct product SU(3) 2 direct product SU(3) 3 gauge theory, where quarks of the ith generation transform as triplets under SU(3)/sub i/ and singlets under the other two factors. The usual color group is then identified with the diagonal subgroup, which remains exact after symmetry breaking. The gauge bosons associated with the 16 broken generators then form two massive octets under ordinary color. The interactions between quarks and these heavy gluonlike particles are explicitly nonuniversal and thus an exploration of their physical implications allows us to shed light on the fundamental issue of strong-interaction universality. Nonuniversality and weak flavor mixing are shown to generate heavy-gluon-induced flavor-changing neutral currents. The phenomenology of these processes is studied, as they provide the major experimental constraint on the extended theory. Three symmetry-breaking scenarios are presented. The first has color breaking occurring at the weak scale, while the second and third divorce the two scales. The third model has the interesting feature of radiatively induced off-diagonal Kobayashi-Maskawa matrix elements

  7. Strong interaction phenomenology

    International Nuclear Information System (INIS)

    Giffon, M.

    1989-01-01

    A brief review of high energy hadronic data (Part I)is followed by an introduction to the standard (Weinberg Salam Glashow) model of electroweak interactions and its extension to the hadrons (Part II). Rudiments of QCD and of the parton model area given in Part III together with a quick review of the spectroscopy of heavy flavours whereas Part IV is devoted to the introduction to deep inelastic scattering and to the so-called EMC effects. (author)

  8. Strong WW Interaction at LHC

    Energy Technology Data Exchange (ETDEWEB)

    Pelaez, Jose R

    1998-12-14

    We present a brief pedagogical introduction to the Effective Electroweak Chiral Lagrangians, which provide a model independent description of the WW interactions in the strong regime. When it is complemented with some unitarization or a dispersive approach, this formalism allows the study of the general strong scenario expected at the LHC, including resonances.

  9. Molecular aggregation in water : the interplay of hydrophobic and electrostatic interactions

    NARCIS (Netherlands)

    Buwalda, Rixt Tietje

    2001-01-01

    Hydrophobic interactions belong to the most important noncovalent interactions and play an important role in many (bio)chemical processes. A number of processes in aqueous solution like protein folding, surfactant aggregation or molecular recognition processes strongly rely on the interactions

  10. Inverse colloidal crystal membranes for hydrophobic interaction membrane chromatography.

    Science.gov (United States)

    Vu, Anh T; Wang, Xinying; Wickramasinghe, S Ranil; Yu, Bing; Yuan, Hua; Cong, Hailin; Luo, Yongli; Tang, Jianguo

    2015-08-01

    Hydrophobic interaction membrane chromatography has gained interest due to its excellent performance in the purification of humanized monoclonal antibodies. The membrane material used in hydrophobic interaction membrane chromatography has typically been commercially available polyvinylidene fluoride. In this contribution, newly developed inverse colloidal crystal membranes that have uniform pores, high porosity and, therefore, high surface area for protein binding are used as hydrophobic interaction membrane chromatography membranes for humanized monoclonal antibody immunoglobulin G purification. The capacity of the inverse colloidal crystal membranes developed here is up to ten times greater than commercially available polyvinylidene fluoride membranes with a similar pore size. This work highlights the importance of developing uniform pore size high porosity membranes in order to maximize the capacity of hydrophobic interaction membrane chromatography. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. Water interaction with hydrophobic and hydrophilic soot particles.

    Science.gov (United States)

    Popovicheva, Olga; Persiantseva, Natalia M; Shonija, Natalia K; DeMott, Paul; Koehler, Kirsten; Petters, Markus; Kreidenweis, Sonia; Tishkova, Victoria; Demirdjian, Benjamin; Suzanne, Jean

    2008-05-07

    The interaction of water with laboratory soots possessing a range of properties relevant for atmospheric studies is examined by two complementary methods: gravimetrical measurement of water uptake coupled with chemical composition and porosity analysis and HTDMA (humidified tandem differential mobility analyzer) inference of water uptake accompanied by separate TEM (transmission electron microscopy) analysis of single particles. The first method clarifies the mechanism of water uptake for bulk soot and allows the classification of soot with respect to its hygroscopicity. The second method highlights the dependence of the soot aerosol growth factor on relative humidity (RH) for quasi-monodisperse particles. Hydrophobic and hydrophilic soot are qualitatively defined by their water uptake and surface polarity: laboratory soot particles are thus classified from very hydrophobic to very hydrophilic. Thermal soot particles produced from natural gas combustion are classified as hydrophobic with a surface of low polarity since water is found to cover only half of the surface. Graphitized thermal soot particles are proposed for comparison as extremely hydrophobic and of very low surface polarity. Soot particles produced from laboratory flame of TC1 aviation kerosene are less hydrophobic, with their entire surface being available for statistical monolayer water coverage at RH approximately 10%. Porosity measurements suggest that, initially, much of this surface water resides within micropores. Consequently, the growth factor increase of these particles to 1.07 at RH > 80% is attributed to irreversible swelling that accompanies water uptake. Hysteresis of adsorption/desorption cycles strongly supports this conclusion. In contrast, aircraft engine soot, produced from burning TC1 kerosene in a gas turbine engine combustor, has an extremely hydrophilic surface of high polarity. Due to the presence of water soluble organic and inorganic material it can be covered by many water

  12. Strong interaction at finite temperature

    Indian Academy of Sciences (India)

    Abstract. We review two methods discussed in the literature to determine the effective parameters of strongly interacting particles as they move through a heat bath. The first one is the general method of chiral perturbation theory, which may be readily applied to this problem. The other is the method of thermal QCD sum rules ...

  13. Strongly Interacting Light Dark Matter

    Directory of Open Access Journals (Sweden)

    Sebastian Bruggisser, Francesco Riva, Alfredo Urbano

    2017-09-01

    Full Text Available In the presence of approximate global symmetries that forbid relevant interactions, strongly coupled light Dark Matter (DM can appear weakly coupled at small energy and generate a sizable relic abundance. Fundamental principles like unitarity restrict these symmetries to a small class, where the leading interactions are captured by effective operators up to dimension-8. Chiral symmetry, spontaneously broken global symmetries and non-linearly realized supersymmetry are examples of this. Their DM candidates (composite fermions, pseudo Nambu-Goldstone Bosons and Goldstini are interesting targets for LHC missing-energy searches.

  14. Strongly interacting light dark matter

    International Nuclear Information System (INIS)

    Bruggisser, Sebastian; Riva, Francesco; Urbano, Alfredo

    2016-07-01

    In the presence of approximate global symmetries that forbid relevant interactions, strongly coupled light Dark Matter (DM) can appear weakly coupled at small-energy and generate a sizable relic abundance. Fundamental principles like unitarity restrict these symmetries to a small class, where the leading interactions are captured by effective operators up to dimension-8. Chiral symmetry, spontaneously broken global symmetries and non-linearly realized supersymmetry are examples of this. Their DM candidates (composite fermions, pseudo-Nambu-Goldstone Bosons and Goldstini) are interesting targets for LHC missing-energy searches.

  15. Scalar strong interaction hadron theory

    CERN Document Server

    Hoh, Fang Chao

    2015-01-01

    The scalar strong interaction hadron theory, SSI, is a first principles' and nonlocal theory at quantum mechanical level that provides an alternative to low energy QCD and Higgs related part of the standard model. The quark-quark interaction is scalar rather than color-vectorial. A set of equations of motion for mesons and another set for baryons have been constructed. This book provides an account of the present state of a theory supposedly still at its early stage of development. This work will facilitate researchers interested in entering into this field and serve as a basis for possible future development of this theory.

  16. Hydrophobic interactions of phenoxazine modulators with bovine ...

    Indian Academy of Sciences (India)

    bDepartment of Chemistry, University of Memphis, Memphis, TN 38151,. USA. cDepartment of Molecular Pharmacology, St. Jude Children's Research. Hospital, Memphis, TN 38105, USA. MS received 17 May 1999; revised 19 November 1999. Abstract. The interaction of 10-(3'-N-morpholinopropyl)phenoxazine [MPP], 10-.

  17. Immobilization of molecular cobalt electrocatalyst by hydrophobic interaction with hematite photoanode for highly stable oxygen evolution

    KAUST Repository

    Joya, Khurram

    2015-07-15

    A unique modification of a hematite photoanode with perfluorinated Co-phthalocyanine (CoFPc) by strong binding associated with hydrophobic interaction is demonstrated. The resultant molecular electrocatalyst – hematite photoanode hybrid material showed significant onset shift and high stability for photoelectrochemical oxidation evolution reaction (OER).

  18. Strongly interacting photons and atoms

    International Nuclear Information System (INIS)

    Alge, W.

    1999-05-01

    This thesis contains the main results of the research topics I have pursued during the my PhD studies at the University of Innsbruck and partly in collaboration with the Institut d' Optique in Orsay, France. It is divided into three parts. The first and largest part discusses the possibility of using strong standing waves as a tool to cool and trap neutral atoms in optical cavities. This is very important in the field of nonlinear optics where several successful experiments with cold atoms in cavities have been performed recently. A discussion of the optical parametric oscillator in a regime where the nonlinearity dominates the evolution is the topic of the second part. We investigated mainly the statistical properties of the cavity output of the three interactive cavity modes. Very recently a system has been proposed which promises fantastic properties. It should exhibit a giant Kerr nonlinearity with negligible absorption thus leading to a photonic turnstile device based on cold atoms in cavity. We have shown that this model suffers from overly simplistic assumptions and developed several more comprehensive approaches to study the behavior of this system. Apart from the division into three parts of different contents the thesis is divided into publications, supplements and invisible stuff. The intention of the supplements is to reach researchers which work in related areas and provide them with more detailed information about the concepts and the numerical tools we used. It is written especially for diploma and PhD students to give them a chance to use the third part of our work which is actually the largest one. They consist of a large number of computer programs we wrote to investigate the behavior of the systems in parameter regions where no hope exists to solve the equations analytically. (author)

  19. Structures of multidomain proteins adsorbed on hydrophobic interaction chromatography surfaces.

    Science.gov (United States)

    Gospodarek, Adrian M; Sun, Weitong; O'Connell, John P; Fernandez, Erik J

    2014-12-05

    In hydrophobic interaction chromatography (HIC), interactions between buried hydrophobic residues and HIC surfaces can cause conformational changes that interfere with separations and cause yield losses. This paper extends our previous investigations of protein unfolding in HIC chromatography by identifying protein structures on HIC surfaces under denaturing conditions and relating them to solution behavior. The thermal unfolding of three model multidomain proteins on three HIC surfaces of differing hydrophobicities was investigated with hydrogen exchange mass spectrometry (HXMS). The data were analyzed to obtain unfolding rates and Gibbs free energies for unfolding of adsorbed proteins. The melting temperatures of the proteins were lowered, but by different amounts, on the different surfaces. In addition, the structures of the proteins on the chromatographic surfaces were similar to the partially unfolded structures produced in the absence of a surface by temperature as well as by chemical denaturants. Finally, it was found that patterns of residue exposure to solvent on different surfaces at different temperatures can be largely superimposed. These findings suggest that protein unfolding on various HIC surfaces might be quantitatively related to protein unfolding in solution and that details of surface unfolding behavior might be generalized. Copyright © 2014 Elsevier B.V. All rights reserved.

  20. Cluster Crystals Stabilized by Hydrophobic and Electrostatic Interactions.

    Science.gov (United States)

    Baumketner, A; Stelmakh, A; Cai, W

    2018-03-08

    Cluster crystals are crystalline materials in which each site is occupied by multiple identical particles, atoms, colloids, or polymers. There are two classes of systems that make cluster crystals. One is composed of particles that interact via potentials that are bound at the origin and thus are able to penetrate each other. The other consists of non-interpenetrating particles whose interaction potential diverges at the origin. The goal of this work is to find which systems of the second class can make cluster crystals that are stable at room temperature. First, the general properties of the required potentials are established using an analytical model and Monte Carlo simulations. Next, we ask how such potentials can be constructed by combining hydrophobic attraction and electrostatic repulsion. A colloid model with a hard-sphere core and a repulsive wall is introduced to mimic the hydrophobic interaction. Charge is added to create long-range repulsion. A search in the parameter space of the colloid size, counterion type, and charge configuration uncovers several models for which effective colloid-colloid interaction, determined in explicit solvent as a potential of mean force, has the necessary shape. For the effective potential, cluster crystals are confirmed as low free-energy configurations in replica-exchange molecular dynamics simulations, which also generate the respective transition temperature. The model that exhibits a transition above room temperature is further studied in explicit solvent. Simulations on a 10 ns time scale show that crystalline conformations are stable below the target temperature but disintegrate rapidly above it, supporting the idea that hydrophobic and electrostatic interactions are sufficient to induce an assembly of cluster crystals. Finally, we discuss which physical systems are good candidates for experimental observations of cluster crystals.

  1. Remnants of strong tidal interactions

    International Nuclear Information System (INIS)

    Mcglynn, T.A.

    1990-01-01

    This paper examines the properties of stellar systems that have recently undergone a strong tidal shock, i.e., a shock which removes a significant fraction of the particles in the system, and where the shocked system has a much smaller mass than the producer of the tidal field. N-body calculations of King models shocked in a variety of ways are performed, and the consequences of the shocks are investigated. The results confirm the prediction of Jaffe for shocked systems. Several models are also run where the tidal forces on the system are constant, simulating a circular orbit around a primary, and the development of tidal radii under these static conditions appears to be a mild process which does not dramatically affect material that is not stripped. The tidal radii are about twice as large as classical formulas would predict. Remnant density profiles are compared with a sample of elliptical galaxies, and the implications of the results for the development of stellar populations and galaxies are considered. 38 refs

  2. Effects of salt on the `drying' transition and hydrophobic interaction between nano-sized spherical solutes

    Science.gov (United States)

    Dzubiella, Joachim; Hansen, Jean-Pierre

    2013-12-01

    The effects of sodium halide salts on the hydration and effective interaction between two nanometer-sized, spherical hydrophobic solutes are studied using explicit-water molecular dynamics computer simulations. The system exhibits bimodal wet-dry hydration oscillations that are found to be significantly shifted to dryer states by the presence of salt at and above physiological concentrations. We find that the wet-dry equilibrium of the confined solvent and the resulting interaction between the two solutes can be sensitively tuned by varying the salt type and concentration. A free energy analysis indicates that the strong salt effects can be traced back to large changes in the water chemical potential for the transfer process of a water molecule from the bulk reservoir into the ion-depleted confined region. Our results provide a better understanding of salt effects at the onset of aggregation and self-assembly of large hydrophobic solutes such as globular proteins.

  3. Wood Nanotechnology for Strong, Mesoporous, and Hydrophobic Biocomposites for Selective Separation of Oil/Water Mixtures.

    Science.gov (United States)

    Fu, Qiliang; Ansari, Farhan; Zhou, Qi; Berglund, Lars A

    2018-03-27

    Tremendous efforts have been dedicated to developing effective and eco-friendly approaches for separation of oil-water mixtures. Challenges remain in terms of complex processing, high material cost, low efficiency, and scale-up problems. Inspired by the tubular porosity and hierarchical organization of wood, a strong, mesoporous, and hydrophobic three-dimensional wood structure is created for selective oil/water separation. A delignified wood template with hydrophilic characteristics is obtained by removal of lignin. The delignified wood template is further functionalized by a reactive epoxy-amine system. This wood/epoxy biocomposite reveals hydrophobic/oleophilic functionality and shows oil absorption as high as 15 g/g. The wood/epoxy biocomposite has a compression yield strength and modulus up to 18 and 263 MPa, respectively, at a solid volume fraction of only 12%. This is more than 20 times that of cellulose-based foams/aerogels reconstructed from cellulose nanofibrils. The favorable performance is ascribed to the natural hierarchical honeycomb structure of wood. Oil can be selectively absorbed not only from below but also from above the water surface. High oil/water absorption capacity of both types of wood structures (delignified template and polymer-modified biocomposite) allows for applications in oil/water separation.

  4. Algebra of strong and electroweak interactions

    International Nuclear Information System (INIS)

    Bolokhov, S.V.; Vladimirov, Yu.S.

    2004-01-01

    The algebraic approach to describing the electroweak and strong interactions is considered within the frames of the binary geometrophysics, based on the principles of the Fokker-Feynman direct interparticle interaction theories of the Kaluza-Klein multidimensional geometrical models and the physical structures theory. It is shown that in this approach the electroweak and strong elementary particles interaction through the intermediate vector bosons, are characterized by the subtypes of the algebraic classification of the complex 3 x 3-matrices [ru

  5. Recent experimental advances on hydrophobic interactions at solid/water and fluid/water interfaces.

    Science.gov (United States)

    Zeng, Hongbo; Shi, Chen; Huang, Jun; Li, Lin; Liu, Guangyi; Zhong, Hong

    2015-03-15

    Hydrophobic effects play important roles in a wide range of natural phenomena and engineering processes such as coalescence of oil droplets in water, air flotation of mineral particles, and folding and assembly of proteins and biomembranes. In this work, the authors highlight recent experimental attempts to reveal the physical origin of hydrophobic effects by directly quantifying the hydrophobic interaction on both solid/water and fluid/water interfaces using state-of-art nanomechanical techniques such as surface forces apparatus and atomic force microscopy (AFM). For solid hydrophobic surfaces of different hydrophobicity, the range of hydrophobic interaction was reported to vary from ∼10 to >100 nm. With various characterization techniques, the very long-ranged attraction (>100 nm) has been demonstrated to be mainly attributed to nonhydrophobic interaction mechanisms such as pre-existing nanobubbles and molecular rearrangement. By ruling out these factors, intrinsic hydrophobic interaction was measured to follow an exponential law with decay length of 1-2 nm with effective range less than 20 nm. On the other hand, hydrophobic interaction measured at fluid interfaces using AFM droplet/bubble probe technique was found to decay with a much shorter length of ∼0.3 nm. This discrepancy of measured decay lengths is proposed to be attributed to inherent physical distinction between solid and fluid interfaces, which impacts the structure of interface-adjacent water molecules. Direct measurement of hydrophobic interaction on a broader range of interfaces and characterization of interfacial water molecular structure using spectroscopic techniques are anticipated to help unravel the origin of this rigidity-related mismatch of hydrophobic interaction and hold promise to uncover the physical nature of hydrophobic effects. With improved understanding of hydrophobic interaction, intrinsic interaction mechanisms of many biological and chemical pathways can be better

  6. Super-tough, ultra-stretchable and strongly compressive hydrogels with core-shell latex particles inducing efficient aggregation of hydrophobic chains.

    Science.gov (United States)

    Ren, Xiuyan; Huang, Chang; Duan, Lijie; Liu, Baijun; Bu, Lvjun; Guan, Shuang; Hou, Jiliang; Zhang, Huixuan; Gao, Guanghui

    2017-05-14

    Toughness, strechability and compressibility for hydrogels were ordinarily balanced for their use as mechanically responsive materials. For example, macromolecular microsphere composite hydrogels with chemical crosslinking exhibited excellent compression strength and strechability, but poor tensile stress. Here, a novel strategy for the preparation of a super-tough, ultra-stretchable and strongly compressive hydrogel was proposed by introducing core-shell latex particles (LPs) as crosslinking centers for inducing efficient aggregation of hydrophobic chains. The core-shell LPs always maintained a spherical shape due to the presence of a hard core even by an external force and the soft shell could interact with hydrophobic chains due to hydrophobic interactions. As a result, the hydrogels reinforced by core-shell LPs exhibited not only a high tensile strength of 1.8 MPa and dramatic elongation of over 20 times, but also an excellent compressive performance of 13.5 MPa at a strain of 90%. The Mullins effect was verified for the validity of core-shell LP-reinforced hydrogels by inducing aggregation of hydrophobic chains. The novel strategy strives to provide a better avenue for designing and developing a new generation of hydrophobic association tough hydrogels with excellent mechanical properties.

  7. Prediction of protein retention times in hydrophobic interaction chromatography by robust statistical characterization of their atomic-level surface properties.

    NARCIS (Netherlands)

    Hanke, A.T.; Klijn, M.E.; Verhaert, P.D.; Wielen, van der L.; Ottens, M.; Eppink, M.H.M.; Sandt, van de E.J.A.X.

    2016-01-01

    The correlation between the dimensionless retention times (DRT) of proteins in hydrophobic interaction chromatography (HIC) and their surface properties were investigated. A ternary atomic-level hydrophobicity scale was used to calculate the distribution of local average hydrophobicity across the

  8. The Charm and Beauty of Strong Interactions

    Science.gov (United States)

    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.

  9. Hydrophobically modified polyelectrolytes : synthesis, properties and interactions with surfactants

    NARCIS (Netherlands)

    Nieuwkerk, A.C.

    1998-01-01

    Hydrophobically modified polyelectrolytes can form micelle-like aggregates, so-called microdomains, in aqueous solution. The hydrophobic side chains constitute the apolar inner part of these microdomains and the hydrophilic groups on the polyelectrolyte backbone are at the surface of the

  10. Including virtual photons in strong interactions

    International Nuclear Information System (INIS)

    Rusetsky, A.

    2003-01-01

    In the perturbative field-theoretical models we investigate the inclusion of the electromagnetic interactions into the purely strong theory that describes hadronic processes. In particular, we study the convention for splitting electromagnetic and strong interactions and the ambiguity of such a splitting. The issue of the interpretation of the parameters of the low-energy effective field theory in the presence of electromagnetic interactions is addressed, as well as the scale and gauge dependence of the effective theory couplings. We hope, that the results of these studies are relevant for the electromagnetic sector of ChPT. (orig.)

  11. A theory of the strong interactions

    International Nuclear Information System (INIS)

    Gross, D.J.

    1979-01-01

    The most promising candidate for a fundamental microscopic theory of the strong interactions is a gauge theory of colored quarks-Quantum Chromodynamics (QCD). There are many excellent reasons for believing in this theory. It embodies the broken symmetries, SU(3) and chiral SU(3)xSU(3), of the strong interactions and reflects the success of (albeit crude) quark models in explaining the spectrum of the observed hadrons. The hidden quantum number of color, necessary to account for the quantum numbers of the low lying hadrons, plays a fundamental role in this theory as the SU(3) color gauge vector 'gluons' are the mediators of the strong interactions. The absence of physical quark states can be 'explained' by the hypothesis of color confinement i.e. that hadrons are permanently bound in color singlet bound states. Finally this theory is unique in being asymptotically free, thus accounting for the almost free field theory behvior of quarks observed at short distances. (Auth.)

  12. Different assembly of type IV collagen on hydrophilic and hydrophobic substrata alters endothelial cells interaction

    Directory of Open Access Journals (Sweden)

    NM Coelho

    2010-06-01

    Full Text Available Considering the structural role of type IV collagen (Col IV in the assembly of the basement membrane (BM and the perspective of mimicking its organization for vascular tissue engineering purposes, we studied the adsorption pattern of this protein on model hydrophilic (clean glass and hydrophobic trichloro(octadecylsilane (ODS surfaces known to strongly affect the behavior of other matrix proteins. The amount of fluorescently labeled Col IV was quantified showing saturation of the surface for concentration of the adsorbing solution of about 50μg/ml, but with approximately twice more adsorbed protein on ODS. AFM studies revealed a fine – nearly single molecular size – network arrangement of Col IV on hydrophilic glass, which turns into a prominent and growing polygonal network consisting of molecular aggregates on hydrophobic ODS. The protein layer forms within minutes in a concentration-dependent manner. We further found that human umbilical vein endothelial cells (HUVEC attach less efficiently to the aggregated Col IV (on ODS, as judged by the significantly altered cell spreading, focal adhesions formation and the development of actin cytoskeleton. Conversely, the immunofluorescence studies for integrins revealed that the fine Col IV network formed on hydrophilic substrata is better recognized by the cells via both α1 and α2 heterodimers which support cellular interaction, apart from these on hydrophobic ODS where almost no clustering of integrins was observed.

  13. Electroweak and Strong Interactions Phenomenology, Concepts, Models

    CERN Document Server

    Scheck, Florian

    2012-01-01

    Electroweak and Strong Interaction: Phenomenology, Concepts, Models, begins with relativistic quantum mechanics and some quantum field theory which lay the foundation for the rest of the text. The phenomenology and the physics of the fundamental interactions are emphasized through a detailed discussion of the empirical fundamentals of unified theories of strong, electromagnetic, and weak interactions. The principles of local gauge theories are described both in a heuristic and a geometric framework. The minimal standard model of the fundamental interactions is developed in detail and characteristic applications are worked out. Possible signals of physics beyond that model, notably in the physics of neutrinos are also discussed. Among the applications scattering on nucleons and on nuclei provide salient examples. Numerous exercises with solutions make the text suitable for advanced courses or individual study. This completely updated revised new edition contains an enlarged chapter on quantum chromodynamics an...

  14. Vector mesons in strongly interacting matter

    Indian Academy of Sciences (India)

    probes like photons, pions or protons or the heated and compressed hadronic matter generated in a heavy-ion collision. Leaving any nuclear medium without strong final-state interactions, dileptons are the optimum decay channel as they avoid any final-state distortion of the 4- momenta of the decay products entering eq.

  15. Vector mesons in strongly interacting matter

    Indian Academy of Sciences (India)

    Properties of hadrons in strongly interacting matter provide a link between quantum chromodynamics in the ... Top: Spectral function of the ρ-meson at normal nuclear matter density as a function of mass and ... directly but folded with the branching ratio ΓV →p1+p2 /Γtot into the specific final channel one is investigating.

  16. Hydrophobic interaction membrane chromatography for bioseparation and responsive polymer ligands involved

    Science.gov (United States)

    Chen, Jingling; Peng, Rong; Chen, Xiaonong

    2017-09-01

    Hydrophobic interaction chromatography (HIC) is a rapid growing bioseparation technique, which separates biomolecules, such as therapeutic proteins and antibodys, based on the reversible hydrophobic interaction between immobilized hydrophobic ligands on chromatographic resin spheres and non-polar regions of solute molecule. In this review, the fundamental concepts of HIC and the factors that may affect purification efficiency of HIC is summarized, followed by the comparison of HIC with affinity chromatography and ion-exchange chromatography. Hydrophobic interaction membrane chromatography (HIMC) combines the advantages of HIC and membrane process and has showed great potential in bioseparation. For better understanding of HIMC, this review presents an overview of two main concerns about HIMC, i.e. membrane materials and hydrophobic ligands. Specifically, cellulose fiber-based membrane substrate and environment-responsive ligands are emphasized.

  17. Premicellar interaction of PEO-PPO-PEO triblock copolymers with partially hydrophobic alcohols: NMR study

    Czech Academy of Sciences Publication Activity Database

    Kříž, Jaroslav; Dybal, Jiří

    2013-01-01

    Roč. 51, č. 5 (2013), s. 275-282 ISSN 0749-1581 R&D Projects: GA ČR GAP205/11/1657; GA ČR GA203/09/1478 Institutional support: RVO:61389013 Keywords : pluronics * hydrophobic interaction * hydrophobic alcohols Subject RIV: CD - Macromolecular Chemistry Impact factor: 1.559, year: 2013

  18. Strong interaction studies with kaonic atoms

    Directory of Open Access Journals (Sweden)

    Marton J.

    2016-01-01

    Full Text Available The strong interaction of antikaons (K− with nucleons and nuclei in the low-energy regime represents an active research field connected intrinsically with few-body physics. There are important open questions like the question of antikaon nuclear bound states - the prototype system being K−pp. A unique and rather direct experimental access to the antikaon-nucleon scattering lengths is provided by precision X-ray spectroscopy of transitions in low-lying states of light kaonic atoms like kaonic hydrogen isotopes. In the SIDDHARTA experiment at the electron-positron collider DAΦNE of LNF-INFN we measured the most precise values of the strong interaction observables, i.e. the strong interaction on the 1s ground state of the electromagnetically bound K−p atom leading to a hadronic shift ϵ1s and a hadronic broadening Γ1s of the 1s state. The SIDDHARTA result triggered new theoretical work which achieved major progress in the understanding of the low-energy strong interaction with strangeness. Antikaon-nucleon scattering lengths have been calculated constrained by the SIDDHARTA data on kaonic hydrogen. For the extraction of the isospin-dependent scattering lengths a measurement of the hadronic shift and width of kaonic deuterium is necessary. Therefore, new X-ray studies with the focus on kaonic deuterium are in preparation (SIDDHARTA2. Many improvements in the experimental setup will allow to measure kaonic deuterium which is challenging due to the anticipated low X-ray yield. Especially important are the data on the X-ray yields of kaonic deuterium extracted from a exploratory experiment within SIDDHARTA.

  19. Fundamental Structure of Matter and Strong Interaction

    Energy Technology Data Exchange (ETDEWEB)

    Jian-Ping Chen

    2011-11-01

    More than 99% of the visible matter in the universe are the protons and neutrons. Their internal structure is mostly governed by the strong interaction. Understanding their internal structure in terms of fundamental degrees-of-freedom is one of the most important subjects in modern physics. Worldwide efforts in the last few decades have lead to numerous surprises and discoveries, but major challenges still remain. An overview of the progress will be presented with a focus on the recent studies of the proton and neutron's electromagnetic and spin structure. Future perspectives will be discussed.

  20. Strong Interaction Studies with PANDA at FAIR

    International Nuclear Information System (INIS)

    Schönning, Karin

    2016-01-01

    The Facility for Antiproton and Ion Research (FAIR) in Darmstadt, Germany, provides unique possibilities for a new generation of nuclear-, hadron- and atomic physics experiments. The future PANDA experiment at FAIR will offer a broad physics programme with emphasis on different aspects of hadron physics. Understanding the strong interaction in the perturbative regime remains one of the greatest challenges in contemporary physics and hadrons provide several important keys. In these proceedings, PANDA will be presented along with some high-lights of the planned physics programme

  1. Strong Interactions Physics at BaBar

    Energy Technology Data Exchange (ETDEWEB)

    Pioppi, M.

    2005-03-14

    Recent results obtained by BABAR experiment and related to strong interactions physics are presented, with particular attention to the extraction of the first four hadronic-mass moments and the first three lepton-energy moments in semileptonic decays. From a simultaneous fit to the moments, the CKM element |V{sub cb}|, the inclusive B {yields} X{sub c}lv and other heavy quark parameters are derived. The second topic is the ambiguity-free measurement of cos(2{beta}) in B {yields} J/{Psi}K* decays. With approximately 88 million of B{bar B} pairs, negative solutions for cos(2{beta}) are excluded at 89%.

  2. Strong Interaction Studies with PANDA at FAIR

    Science.gov (United States)

    Schönning, Karin

    2016-10-01

    The Facility for Antiproton and Ion Research (FAIR) in Darmstadt, Germany, provides unique possibilities for a new generation of nuclear-, hadron- and atomic physics experiments. The future PANDA experiment at FAIR will offer a broad physics programme with emphasis on different aspects of hadron physics. Understanding the strong interaction in the perturbative regime remains one of the greatest challenges in contemporary physics and hadrons provide several important keys. In these proceedings, PANDA will be presented along with some high-lights of the planned physics programme.

  3. Strong Interactive Massive Particles from a Strong Coupled Theory

    DEFF Research Database (Denmark)

    Yu. Khlopov, Maxim; Kouvaris, Christoforos

    2008-01-01

    (-2). These excessive techniparticles are all captured by $^4He$, creating \\emph{techni-O-helium} $tOHe$ ``atoms'', as soon as $^4He$ is formed in Big Bang Nucleosynthesis. The interaction of techni-O-helium with nuclei opens new paths to the creation of heavy nuclei in Big Bang Nucleosynthesis. Due...

  4. Finite temperature system of strongly interacting baryons

    Energy Technology Data Exchange (ETDEWEB)

    Bowers, R.L.; Gleeson, A.M.; Pedigo, R.D.; Wheeler, J.W.

    1976-07-01

    A fully relativistic finite temperature many body theory is constructed and used to examine the bulk properties of a system of strongly interacting baryons. The strong interactions are described by a two parameter phenomenological model fit to a simple description of nuclear matter at T = 0. The zero temperature equation of state for such a system which has already been discussed in the literature was developed to give a realistic description of nuclear matter. The model presented here is the exact finite temperature extension of that model. The effect of the inclusion of baryon pairs for T greater than or equal to 2mc/sup 2//k is discussed in detail. The phase transition identified with nuclear matter vanishes for system temperatures in excess of T/sub C/ = 1.034 x 10/sup 11/ /sup 0/K. All values of epsilon (P,T) correspond to systems that are causal in the sense that the locally determined speed of sound never exceeds the speed of light.

  5. Finite temperature system of strongly interacting baryons

    International Nuclear Information System (INIS)

    Bowers, R.L.; Gleeson, A.M.; Pedigo, R.D.; Wheeler, J.W.

    1976-07-01

    A fully relativistic finite temperature many body theory is constructed and used to examine the bulk properties of a system of strongly interacting baryons. The strong interactions are described by a two parameter phenomenological model fit to a simple description of nuclear matter at T = 0. The zero temperature equation of state for such a system which has already been discussed in the literature was developed to give a realistic description of nuclear matter. The model presented here is the exact finite temperature extension of that model. The effect of the inclusion of baryon pairs for T greater than or equal to 2mc 2 /k is discussed in detail. The phase transition identified with nuclear matter vanishes for system temperatures in excess of T/sub C/ = 1.034 x 10 11 0 K. All values of epsilon (P,T) correspond to systems that are causal in the sense that the locally determined speed of sound never exceeds the speed of light

  6. Surfactant-cobalt(III) complexes: The impact of hydrophobicity on interaction with HSA and DNA - insights from experimental and theoretical approach.

    Science.gov (United States)

    Veeralakshmi, Selvakumar; Sabapathi, Gopal; Nehru, Selvan; Venuvanalingam, Ponnambalam; Arunachalam, Sankaralingam

    2017-05-01

    To develop surfactant-based metallodrugs, it is very important to know about their hydrophobicity, micelle forming capacity, their interaction with biomacromolecules such as proteins and nucleic acids, and biological activities. Here, diethylenetriamine (dien) and tetradecylamine ligand (TA) based surfactant-cobalt(III) complexes with single chain domain, [Co(dien)(TA)Cl 2 ]ClO 4 (1) and double chain domain [Co(dien)(TA) 2 Cl](ClO 4 ) 2 (2) were chosen to study the effect of hydrophobicity on the interaction with human serum albumin and calf thymus DNA. The obtained results showed that (i) single chain surfactant-cobalt(III) complex (1) interact with HSA and DNA via electrostatic interaction and groove binding, respectively; (ii) double chain surfactant-cobalt(III) complex (2) interact with HSA and DNA via hydrophobic interaction and partial intercalation, respectively, due to the play of hydrophobicity by single and double chain domains. Further it is noted that, double chain surfactant-cobalt(III) complex interact strongly with HSA and DNA, compared single chain surfactant-cobalt(III) complex due to their more hydrophobicity nature. DFT and molecular docking studies offer insights into the mechanism and mode of binding towards the molecular target CT-DNA and HSA. Hence, the present findings will create new avenue towards the use of hydrophobic metallodrugs for various therapeutic applications. Copyright © 2017 Elsevier B.V. All rights reserved.

  7. Convex Modeling of Interactions with Strong Heredity.

    Science.gov (United States)

    Haris, Asad; Witten, Daniela; Simon, Noah

    2016-01-01

    We consider the task of fitting a regression model involving interactions among a potentially large set of covariates, in which we wish to enforce strong heredity. We propose FAMILY, a very general framework for this task. Our proposal is a generalization of several existing methods, such as VANISH [Radchenko and James, 2010], hierNet [Bien et al., 2013], the all-pairs lasso, and the lasso using only main effects. It can be formulated as the solution to a convex optimization problem, which we solve using an efficient alternating directions method of multipliers (ADMM) algorithm. This algorithm has guaranteed convergence to the global optimum, can be easily specialized to any convex penalty function of interest, and allows for a straightforward extension to the setting of generalized linear models. We derive an unbiased estimator of the degrees of freedom of FAMILY, and explore its performance in a simulation study and on an HIV sequence data set.

  8. Strongly Interacting Matter at High Energy Density

    International Nuclear Information System (INIS)

    McLerran, L.

    2008-01-01

    This lecture concerns the properties of strongly interacting matter (which is described by Quantum Chromodynamics) at very high energy density. I review the properties of matter at high temperature, discussing the deconfinement phase transition. At high baryon density and low temperature, large N c arguments are developed which suggest that high baryonic density matter is a third form of matter, Quarkyonic Matter, that is distinct from confined hadronic matter and deconfined matter. I finally discuss the Color Glass Condensate which controls the high energy limit of QCD, and forms the low x part of a hadron wavefunction. The Glasma is introduced as matter formed by the Color Glass Condensate which eventually thermalizes into a Quark Gluon Plasma

  9. Role of linker groups between hydrophilic and hydrophobic moieties of cationic surfactants on oligonucleotide-surfactant interactions.

    Science.gov (United States)

    Santhiya, Deenan; Dias, Rita S; Shome, Anshupriya; Das, Prasanta Kumar; Miguel, Maria G; Lindman, Björn; Maiti, Souvik

    2009-12-15

    The interaction between DNA and amino-acid-based surfactants with different linker groups was investigated by gel electrophoresis, ethidium bromide exclusion assays, circular dichroism, and melting temperature determinations. The studies showed that the strength of the interaction between the oligonucleotides and the surfactants is highly dependent on the linker of the surfactant. For ester surfactants, no significant interaction was observed for surfactant-to-DNA charge ratios up to 12. On the other hand, amide surfactants were shown to interact strongly with the oligonucleotides; these surfactants could displace up to 75% of the ethidium bromide molecules bound to the DNA and induced significant changes in the circular dichroism spectra. When comparing the headgroups of the surfactants, it was observed that surfactants with more hydrophobic headgroups (proline vs alanine) interacted more strongly with the DNA, in good agreement with previous studies.

  10. Influence of hydrophobization of fumed oxides on interactions with polar and nonpolar adsorbates

    Science.gov (United States)

    Gun'ko, V. M.; Pakhlov, E. M.; Goncharuk, O. V.; Andriyko, L. S.; Marynin, A. I.; Ukrainets, A. I.; Charmas, B.; Skubiszewska-Zięba, J.; Blitz, J. P.

    2017-11-01

    A variety of unmodified and modified fumed silica A-300 and silica/titania (ST20 and ST76 at 20 and 76 wt.% of titania, respectively) was prepared to analyze features of their interactions with polar and nonpolar adsorbates. The materials were studied using nitrogen adsorption-desorption, ethanol evaporation kinetics, infrared (IR) spectroscopy, thermogravimetry (TG), photon correlation spectroscopy, differential scanning calorimetry (DSC), DSC and TG thermoporometry, and quantum chemistry. Changes in surface structure of modified nanooxides with increasing hydrophobization degree (ΘMS) from 20% to 100% have a strong affect on the textural characteristics of the materials and adsorption-desorption of various adsorbates. Confined space effects enhanced due to the location of adsorbates in narrow voids between nanoparticles lead to freezing-melting point depression for bound polar and nonpolar adsorbates. The behavior of particles of modified nanooxides in aqueous and water/ethanol media is strongly altered due to enhanced aggregations with increasing value of ΘMS. All of these change are non-monotonic functions of ΘMS which affects (i) rearrangement of nanoparticles, (ii) interactions with polar and nonpolar adsorbates, (iii) location of adsorbates in voids of different sizes, (iv) the clustering of adsorbates and formation of nearly bulk structures.

  11. Toward a Strongly Interacting Scalar Higgs Particle

    International Nuclear Information System (INIS)

    Shalaby, Abouzeid M.; El-Houssieny, M.

    2008-01-01

    We calculate the vacuum energy of the non-Hermitian and PT symmetric (-gφ 4 ) 2+1 scalar field theory. Rather than the corresponding Hermitian theory and due to the asymptotic freedom property of the theory, the vacuum energy does not blow up for large energy scales which is a good sign to solve the hierarchy problem when using this model to break the U(1)xSU(2) symmetry in the standard model. The theory is strongly interacting and in fact, all the dimensionful parameters in the theory like mass and energy are finite even for very high energy scales. Moreover, relative to the vacuum energy for the Hermitian φ 4 theory, the vacuum energy of the non-Hermitian and PT symmetric (-gφ 4 ) 2+1 theory is tiny, which is a good sign toward the solution of the cosmological constant problem. Remarkably, these features of the non-Hermitian and PT symmetric (-gφ 4 ) 2+1 scalar field theory make it very plausible to be employed as a Higgs mechanism in the standard model instead of the problematic Hermitian Higgs mechanism

  12. Specific ion effects on the hydrophobic interaction of benzene self-assembled monolayers

    DEFF Research Database (Denmark)

    Dobberschütz, Sören; Pedersen, Morten Rimmen; Hassenkam, Tue

    2015-01-01

    The interaction of aromatic compounds with various ions in aqueous solutions plays a role in a number of fields, as diverse as protein folding and enhanced oil recovery, among others. Therefore, we have investigated the effect of the four electrolytes, KCl, NaCl, MgCl2 and CaCl2, on the hydrophobic...... interaction of benzene self-assembled monolayers. Using the jump to contact phenomenon of an atomic force microscope (AFM) tip as an indicator of attractive forces between the surfaces of a sample and the tip, we discovered lower frequencies in the snap in as well as narrower distributions for the snap....... Bridging capillaries, i.e. nanometre scale gas bubbles, are some of the factors contributing to the long range hydrophobic interaction. The results demonstrate how ions influence the attraction of hydrophobic entities in aqueous solutions....

  13. Hydrophobic Interaction Chromatography for Bottom-Up Proteomics Analysis of Single Proteins and Protein Complexes.

    Science.gov (United States)

    Rackiewicz, Michal; Große-Hovest, Ludger; Alpert, Andrew J; Zarei, Mostafa; Dengjel, Jörn

    2017-06-02

    Hydrophobic interaction chromatography (HIC) is a robust standard analytical method to purify proteins while preserving their biological activity. It is widely used to study post-translational modifications of proteins and drug-protein interactions. In the current manuscript we employed HIC to separate proteins, followed by bottom-up LC-MS/MS experiments. We used this approach to fractionate antibody species followed by comprehensive peptide mapping as well as to study protein complexes in human cells. HIC-reversed-phase chromatography (RPC)-mass spectrometry (MS) is a powerful alternative to fractionate proteins for bottom-up proteomics experiments making use of their distinct hydrophobic properties.

  14. Characterization and modeling of nonlinear hydrophobic interaction chromatographic systems.

    Science.gov (United States)

    Nagrath, Deepak; Xia, Fang; Cramer, Steven M

    2011-03-04

    A general rate model was employed in concert with a preferential interaction quadratic adsorption isotherm for the characterization of HIC resins and the prediction of solute behavior in these separation systems. The results indicate that both pore and surface diffusion play an important role in protein transport in HIC resins. The simulated and experimental solute profiles were compared for two model proteins, lysozyme and lectin, for both displacement and gradient modes of chromatography. Our results indicate that a modeling approach using the generate rate model and preferential interaction isotherm can accurately predict the shock layer response in both gradient and displacement chromatography in HIC systems. While pore and surface diffusion played a major role and were limiting steps for proteins, surface diffusion was seen to play less of a role for the displacer. The results demonstrate that this modeling approach can be employed to describe the behavior of these non-linear HIC systems, which may have implications for the development of more efficient preparative HIC separations. Copyright © 2011 Elsevier B.V. All rights reserved.

  15. Reference interaction site model with hydrophobicity induced density inhomogeneity: An analytical theory to compute solvation properties of large hydrophobic solutes in the mixture of polyatomic solvent molecules.

    Science.gov (United States)

    Cao, Siqin; Sheong, Fu Kit; Huang, Xuhui

    2015-08-07

    Reference interaction site model (RISM) has recently become a popular approach in the study of thermodynamical and structural properties of the solvent around macromolecules. On the other hand, it was widely suggested that there exists water density depletion around large hydrophobic solutes (>1 nm), and this may pose a great challenge to the RISM theory. In this paper, we develop a new analytical theory, the Reference Interaction Site Model with Hydrophobicity induced density Inhomogeneity (RISM-HI), to compute solvent radial distribution function (RDF) around large hydrophobic solute in water as well as its mixture with other polyatomic organic solvents. To achieve this, we have explicitly considered the density inhomogeneity at the solute-solvent interface using the framework of the Yvon-Born-Green hierarchy, and the RISM theory is used to obtain the solute-solvent pair correlation. In order to efficiently solve the relevant equations while maintaining reasonable accuracy, we have also developed a new closure called the D2 closure. With this new theory, the solvent RDFs around a large hydrophobic particle in water and different water-acetonitrile mixtures could be computed, which agree well with the results of the molecular dynamics simulations. Furthermore, we show that our RISM-HI theory can also efficiently compute the solvation free energy of solute with a wide range of hydrophobicity in various water-acetonitrile solvent mixtures with a reasonable accuracy. We anticipate that our theory could be widely applied to compute the thermodynamic and structural properties for the solvation of hydrophobic solute.

  16. De Sitter vacua of strongly interacting QFT

    Energy Technology Data Exchange (ETDEWEB)

    Buchel, Alex [Department of Applied Mathematics, University of Western Ontario,London, Ontario N6A 5B7 (Canada); Department of Physics and Astronomy, University of Western Ontario,London, Ontario N6A 5B7 (Canada); Perimeter Institute for Theoretical Physics,Waterloo, Ontario N2J 2W9 (Canada); Karapetyan, Aleksandr [Department of Applied Mathematics, University of Western Ontario,London, Ontario N6A 5B7 (Canada)

    2017-03-22

    We use holographic correspondence to argue that Euclidean (Bunch-Davies) vacuum is a late-time attractor of the dynamical evolution of quantum gauge theories at strong coupling. The Bunch-Davies vacuum is not an adiabatic state, if the gauge theory is non-conformal — the comoving entropy production rate is nonzero. Using the N=2{sup ∗} gauge theory holography, we explore prospects of explaining current accelerated expansion of the Universe as due to the vacuum energy of a strongly coupled QFT.

  17. Relativistic rapprochement of electromagnetic and strong interactions

    International Nuclear Information System (INIS)

    Strel'tsov, V.N.

    1995-01-01

    On the basis of the Lienard-Wiechert potential and the relativistic Yukawa potential it is shown that the corresponding interactions with velocity growth increase differently (the electromagnetic one increases faster). According to preliminary estimations they are equivalent, at distances of the 'action radius' of nuclear forces, at γ≅ 960, where γ is the Lorentz factor. 2 refs

  18. Hydrophilic-hydrophobic polymer blend for modulation of crystalline changes and molecular interactions in solid dispersion.

    Science.gov (United States)

    Van Ngo, Hai; Nguyen, Phuc Kien; Van Vo, Toi; Duan, Wei; Tran, Van-Thanh; Tran, Phuong Ha-Lien; Tran, Thao Truong-Dinh

    2016-11-20

    This research study aimed to develop a new strategy for using a polymer blend in solid dispersion (SD) for dissolution enhancement of poorly water-soluble drugs. SDs with different blends of hydrophilic-hydrophobic polymers (zein/hydroxypropyl methylcellulose - zein/HPMC) were prepared using spray drying to modulate the drug crystal and polymer-drug interactions in SDs. Physicochemical characterizations, including power X-ray diffraction and Fourier transform infrared spectroscopy, were performed to elucidate the roles of the blends in SDs. Although hydrophobic polymers played a key role in changing the model drug from a crystal to an amorphous state, the dissolution rate was limited due to the wetting property. Fortunately, the hydrophilic-hydrophobic blend not only reduced the drug crystallinity but also resulted in a hydrogen bonding interaction between the drugs and the polymer for a dissolution rate improvement. This work may contribute to a new generation of solid dispersion using a blend of hydrophilic-hydrophobic polymers for an effective dissolution enhancement of poorly water-soluble drugs. Copyright © 2016 Elsevier B.V. All rights reserved.

  19. "Strong interaction" for particle physics laboratories

    CERN Multimedia

    2003-01-01

    A new Web site pooling the communications resources of particle physics centres all over the world has just been launched. The official launching of the new particle physics website Interactions.org during the Lepton-Proton 2003 Conference at the American laboratory Fermilab was accompanied by music and a flurry of balloons. On the initiative of Fermilab, the site was created by a collaboration of communication teams from over fifteen of the world's particle physics laboratories, including KEK, SLAC, INFN, JINR and, of course, CERN, who pooled their efforts to develop the new tool. The spectacular launching of the new particle physics website Interactions.org at Fermilab on 12 August 2003. A real gateway to particle physics, the site not only contains all the latest news from the laboratories but also offers images, graphics and a video/animation link. In addition, it provides information about scientific policies, links to the universities, a very useful detailed glossary of particle physics and astrophysic...

  20. Supersymmetry and weak, electromagnetic and strong interactions

    International Nuclear Information System (INIS)

    Fayet, P.

    1977-01-01

    A supersymmetric theory of particle interactions is discussed. It is based on the earlier model which involves gauge (or vector) superfields, and matter (or chiral) superfields; each of them describes a vector and a Majorana spinor in the first case, or a two-component Dirac spinor and a complex scalar in the second case. The new theory suggests the possible existence of spin - 1/2 gluons and heavy spin-0 quarks, besides spin - 1 gluons and spin - 1/2 quarks. To prevent scalar particles to be exchanged in processes such as μ or β decays a new class of leptons with its own quantum number is introduced; it includes charged leptons and a ''photonic neutrino''

  1. QCD : the theory of strong interactions Conference MT17

    CERN Multimedia

    2001-01-01

    The theory of strong interactions,Quantum Chromodynamics (QCD), predicts that the strong interaction is transmitted by the exchange of particles called gluons. Unlike the messengers of electromagnetism photons, which are electrically neutral - gluons carry a strong charge associated with the interaction they mediate. QCD predicts that the strength of the interaction between quarks and gluons becomes weaker at higher energies. LEP has measured the evolution of the strong coupling constant up to energies of 200 GeV and has confirmed this prediction.

  2. Water interactions with hydrophobic groups: Assessment and recalibration of semiempirical molecular orbital methods

    Energy Technology Data Exchange (ETDEWEB)

    Marion, Antoine; Monard, Gérald; Ruiz-López, Manuel F., E-mail: Manuel.Ruiz@univ-lorraine.fr; Ingrosso, Francesca, E-mail: Francesca.Ingrosso@univ-lorraine.fr [Université de Lorraine, SRSMC UMR 7565, Vandoeuvre-lès-Nancy F-54506 (France); CNRS, SRSMC UMR 7565, Vandoeuvre-lès-Nancy F-54506 (France)

    2014-07-21

    In this work, we present a study of the ability of different semiempirical methods to describe intermolecular interactions in water solution. In particular, we focus on methods based on the Neglect of Diatomic Differential Overlap approximation. Significant improvements of these methods have been reported in the literature in the past years regarding the description of non-covalent interactions. In particular, a broad range of methodologies has been developed to deal with the properties of hydrogen-bonded systems, with varying degrees of success. In contrast, the interactions between water and a molecule containing hydrophobic groups have been little analyzed. Indeed, by considering the potential energy surfaces obtained using different semiempirical Hamiltonians for the intermolecular interactions of model systems, we found that none of the available methods provides an entirely satisfactory description of both hydrophobic and hydrophilic interactions in water. In addition, a vibrational analysis carried out in a model system for these interactions, a methane clathrate cluster, showed that some recent methods cannot be used to carry out studies of vibrational properties. Following a procedure established in our group [M. I. Bernal-Uruchurtu, M. T. C. Martins-Costa, C. Millot, and M. F. Ruiz-López, J. Comput. Chem. 21, 572 (2000); W. Harb, M. I. Bernal-Uruchurtu, and M. F. Ruiz-López, Theor. Chem. Acc. 112, 204 (2004)], we developed new parameters for the core-core interaction terms based on fitting potential energy curves obtained at the MP2 level for our model system. We investigated the transferability of the new parameters to describe a system, having both hydrophilic and hydrophobic groups, interacting with water. We found that only by introducing two different sets of parameters for hydrophilic and hydrophobic hydrogen atom types we are able to match the features of the ab initio calculated properties. Once this assumption is made, a good agreement with the

  3. QCD : the theory of strong interactions Exhibition LEPFest 2000

    CERN Multimedia

    2000-01-01

    The theory of strong interactions,Quantum Chromodynamics (QCD),predicts that the strong interac- tion is transmitted by the exchange of particles called glu- ons.Unlike the messengers of electromagnetism -pho- tons,which are electrically neutral -gluons carry a strong charge associated with the interaction they mediate. QCD predicts that the strength of the interaction between quarks and gluons becomes weaker at higher energies.LEP has measured the evolution of the strong coupling constant up to energies of 200 GeV and has confirmed this prediction.

  4. Automated Hydrophobic Interaction Chromatography Column Selection for Use in Protein Purification

    Science.gov (United States)

    Murphy, Patrick J. M.; Stone, Orrin J.; Anderson, Michelle E.

    2011-01-01

    In contrast to other chromatographic methods for purifying proteins (e.g. gel filtration, affinity, and ion exchange), hydrophobic interaction chromatography (HIC) commonly requires experimental determination (referred to as screening or "scouting") in order to select the most suitable chromatographic medium for purifying a given protein 1. The method presented here describes an automated approach to scouting for an optimal HIC media to be used in protein purification. HIC separates proteins and other biomolecules from a crude lysate based on differences in hydrophobicity. Similar to affinity chromatography (AC) and ion exchange chromatography (IEX), HIC is capable of concentrating the protein of interest as it progresses through the chromatographic process. Proteins best suited for purification by HIC include those with hydrophobic surface regions and able to withstand exposure to salt concentrations in excess of 2 M ammonium sulfate ((NH4)2SO4). HIC is often chosen as a purification method for proteins lacking an affinity tag, and thus unsuitable for AC, and when IEX fails to provide adequate purification. Hydrophobic moieties on the protein surface temporarily bind to a nonpolar ligand coupled to an inert, immobile matrix. The interaction between protein and ligand are highly dependent on the salt concentration of the buffer flowing through the chromatography column, with high ionic concentrations strengthening the protein-ligand interaction and making the protein immobile (i.e. bound inside the column) 2. As salt concentrations decrease, the protein-ligand interaction dissipates, the protein again becomes mobile and elutes from the column. Several HIC media are commercially available in pre-packed columns, each containing one of several hydrophobic ligands (e.g. S-butyl, butyl, octyl, and phenyl) cross-linked at varying densities to agarose beads of a specific diameter 3. Automated column scouting allows for an efficient approach for determining which HIC media

  5. Prospects for strong interaction physics at ISABELLE. [Seven papers

    Energy Technology Data Exchange (ETDEWEB)

    Sidhu, D P; Trueman, T L

    1977-01-01

    Seven papers are presented resulting from a conference intended to stimulate thinking about how ISABELLE could be used for studying strong interactions. A separate abstract was prepared for each paper for inclusion in DOE Energy Research Abstracts (ERA). (PMA)

  6. Strongly-Interacting Fermi Gases in Reduced Dimensions

    Science.gov (United States)

    2015-11-16

    superconductivity), nuclear physics (nuclear matter), high - energy physics (effective theories of the strong interactions ), astrophysics (compact stellar objects...strongly- interacting Fermi gases confined in a standing- wave CO2 laser trap. This trap produces a periodic quasi-two-dimensional pancake geometry...predictions of the phase diagram and high temperature superfluidity. Our recent measurements reveal that pairing energy and cloud profiles can be

  7. Increasing stability of water-soluble PQQ glucose dehydrogenase by increasing hydrophobic interaction at dimeric interface

    Directory of Open Access Journals (Sweden)

    Ferri Stefano

    2005-02-01

    Full Text Available Abstract Background Water-soluble quinoprotein glucose dehydrogenase (PQQGDH-B from Acinetobacter calcoaceticus has a great potential for application as a glucose sensor constituent. Because this enzyme shows no activity in its monomeric form, correct quaternary structure is essential for the formation of active enzyme. We have previously reported on the increasing of the stability of PQQGDH-B by preventing the subunit dissociation. Previous studies were based on decreasing the entropy of quaternary structure dissociation but not on increasing the interaction between the two subunits. We therefore attempted to introduce a hydrophobic interaction in the dimeric interface to increase the stability of PQQGDH-B. Results Amino acid residues Asn340 and Tyr418 face each other at the dimer interface of PQQGDH-B, however no interaction exists between their side chains. We simultaneously substituted Asn340 to Phe and Tyr418 to Phe or Ile, to create the two mutants Asn340Phe/Tyr418Phe and Asn340Phe/Tyr418Ile. Furthermore, residues Leu280, Val282 and Val342 form a hydrophobic region that faces, on the other subunit, residues Thr416 and Thr417, again without any specific interaction. We simultaneously substituted Thr416 and Thr417 to Val, to create the mutant Thr416Val/Thr417Val. The temperatures resulting in lose of half of the initial activity of the constructed mutants were increased by 3–4°C higher over wild type. All mutants showed 2-fold higher thermal stability at 55°C than the wild-type enzyme, without decreasing their catalytic activities. From the 3D models of all the mutant enzymes, the predicted binding energies were found to be significantly greater that in the wild-type enzyme, consistent with the increases in thermal stabilities. Conclusions We have achieved via site-directed mutagenesis the improvement of the thermal stability of PQQGDH-B by increasing the dimer interface interaction. Through rational design based on the quaternary

  8. Optimization of linear and branched alkane interactions with water to simulate hydrophobic hydration

    Science.gov (United States)

    Ashbaugh, Henry S.; Liu, Lixin; Surampudi, Lalitanand N.

    2011-08-01

    Previous studies of simple gas hydration have demonstrated that the accuracy of molecular simulations at capturing the thermodynamic signatures of hydrophobic hydration is linked both to the fidelity of the water model at replicating the experimental liquid density at ambient pressure and an accounting of polarization interactions between the solute and water. We extend those studies to examine alkane hydration using the transferable potentials for phase equilibria united-atom model for linear and branched alkanes, developed to reproduce alkane phase behavior, and the TIP4P/2005 model for water, which provides one of the best descriptions of liquid water for the available fixed-point charge models. Alkane site/water oxygen Lennard-Jones cross interactions were optimized to reproduce the experimental alkane hydration free energies over a range of temperatures. The optimized model reproduces the hydration free energies of the fitted alkanes with a root mean square difference between simulation and experiment of 0.06 kcal/mol over a wide temperature range, compared to 0.44 kcal/mol for the parent model. The optimized model accurately reproduces the temperature dependence of hydrophobic hydration, as characterized by the hydration enthalpies, entropies, and heat capacities, as well as the pressure response, as characterized by partial molar volumes.

  9. Quark imprisonment as the origin of strong interactions

    CERN Document Server

    Amati, Daniele

    1974-01-01

    A formal scheme is suggested in which the only dynamical ingredients are weak and electro-magnetic interactions with quarks and leptons treated on the same footing. Strong interactions are generated by the requirement that quarks do not appear physically. (7 refs).

  10. Hydrophobic interaction adsorption of hen egg white proteins albumin, conalbumin, and lysozyme.

    Science.gov (United States)

    Rojas, Edwin E Garcia; dos Reis Coimbra, Jane S; Minim, Luis A; Saraiva, Sérgio H; da Silva, César A Sodré

    2006-08-18

    Hydrophobic adsorption equilibrium data of the hen egg white proteins albumin, conalbumin, and lysozyme were obtained in batch systems, at 25 degrees C, using the Streamline Phenyl resin as adsorbent. The influence of three types of salt, NaCl, Na(2)SO(4), or (NH(4))(2)SO(4), and their concentration on the equilibrium data were evaluated. The salt Na(2)SO(4) showed the higher interaction with the studied proteins, thus favoring the adsorption of proteins by the adsorbent, even though each type of salt interacted in a distinct manner with each protein. The isotherm models of Langmuir, Langmuir exponential, and Chen and Sun were well fitted to the equilibrium data, with no significant difference being observed at the 5% level of significance. The mass transfer model applied simulated correctly adsorption kinetics of the proteins under the studied conditions.

  11. Effect of mass overloading on binding and elution of unstable proteins in hydrophobic interaction chromatography.

    Science.gov (United States)

    Muca, Renata; Marek, Wojciech; Żurawski, Marek; Piątkowski, Wojciech; Antos, Dorota

    2017-04-07

    Adsorption behavior of unstable proteins, i.e., bovine serum albumin and α-lactalbumin, has been studied on a hydrophobic interaction chromatography medium under mass overloading conditions at different kosmotropic salt concentrations in the mobile phase. A mechanistic model has been formulated and used to describe kinetics and thermodynamics of protein interactions with the adsorbent surface. The model assumed two-site binding adsorption and reversible protein unfolding, which allowed predicting the inhibition of protein unfolding at high column loadings. A simplified procedure for the determination of model parameters has been developed, which was based on the inverse method. The model was successfully used to reproduce the pattern of chromatographic elution as well as the course of breakthrough curves. The model formulation was supported by Nano Differential Scanning Fluorimetry measurements, which were exploited to determine the protein stability in the liquid and adsorbed phases at different column loadings and salt concentrations. Copyright © 2017 Elsevier B.V. All rights reserved.

  12. Semicalssical quantization of interacting anyons in a strong magnetic field

    International Nuclear Information System (INIS)

    Levit, S.; Sivan, N.

    1992-01-01

    We represent a semiclassical theory of charged interacting anyons in strong magnetic fields. We apply this theory to a number of few anyons systems including two interacting anyons in the presence of an impurity and three interacting anyons. We discuss the dependence of their energy levels on the statistical parameter and find regions in which this dependence follows very different patterns. The semiclassical arguments allow to correlate these patterns with the change in the character of the classical motion of the system. (author)

  13. Thermodynamic modelling of hydrophobic interaction chromatography of biomolecules in the presence of salt.

    Science.gov (United States)

    Mirani, Mohammad Reza; Rahimpour, Farshad

    2015-11-27

    Hydrophobic interaction chromatography (HIC) is a useful method for isolation and purification of macromolecules. HIC separates proteins on the basis of surface hydrophobicity while generally retaining the activity of proteins. Aqueous mobile phases with high salt concentrations are often used to adsorb the proteins on a mildly hydrophobic support. In this research, the thermodynamic model of Chen and Sun, which predicts the adsorption isotherms of protein in presence of different type of salts, was modified by substitution the protein and salt activities in the mobile phase instead of their concentrations. In addition, model was examined for studying the adsorption of BSA, HSA, α-lactalbumin and Trypsinogen on different sepharose gels. The model parameters of Chen and Sun are adsorption equilibrium constant (KP), protein dehydration equilibrium constant (Ks), salt coefficient (α) and number of ligand binding (n). By substitution activity instead of salt and protein concentration, two other parameters (c1 and As), which related to the activity coefficients, are added to the model. The parameters of this nonlinear model are calculated by genetic algorithm (GA). The maximum average absolute percentage deviation (AAD) for the data which are obtained from the adsorption isotherm of BSA on phenyl sepharose gel, in the presence of different concentration of NaCl was 4.8%, while for Chen and Sun model, was 22.0%. Also maximum ADD for HSA, α-lactalbumin, and Trypsinogen adsorption was 7.8, 6.9, and 8.4, respectively. The results indicate that the modified model has adequate accuracy to predict protein HIC behaviour. Copyright © 2015 Elsevier B.V. All rights reserved.

  14. Membrane-mediated interaction between strongly anisotropic protein scaffolds.

    Directory of Open Access Journals (Sweden)

    Yonatan Schweitzer

    2015-02-01

    Full Text Available Specialized proteins serve as scaffolds sculpting strongly curved membranes of intracellular organelles. Effective membrane shaping requires segregation of these proteins into domains and is, therefore, critically dependent on the protein-protein interaction. Interactions mediated by membrane elastic deformations have been extensively analyzed within approximations of large inter-protein distances, small extents of the protein-mediated membrane bending and small deviations of the protein shapes from isotropic spherical segments. At the same time, important classes of the realistic membrane-shaping proteins have strongly elongated shapes with large and highly anisotropic curvature. Here we investigated, computationally, the membrane mediated interaction between proteins or protein oligomers representing membrane scaffolds with strongly anisotropic curvature, and addressed, quantitatively, a specific case of the scaffold geometrical parameters characterizing BAR domains, which are crucial for membrane shaping in endocytosis. In addition to the previously analyzed contributions to the interaction, we considered a repulsive force stemming from the entropy of the scaffold orientation. We computed this interaction to be of the same order of magnitude as the well-known attractive force related to the entropy of membrane undulations. We demonstrated the scaffold shape anisotropy to cause a mutual aligning of the scaffolds and to generate a strong attractive interaction bringing the scaffolds close to each other to equilibrium distances much smaller than the scaffold size. We computed the energy of interaction between scaffolds of a realistic geometry to constitute tens of kBT, which guarantees a robust segregation of the scaffolds into domains.

  15. The interaction between fluid flow and ultra-hydrophobic surface in mini channel

    Directory of Open Access Journals (Sweden)

    Jasikova Darina

    2017-01-01

    Full Text Available Interaction of liquid with ultra-hydrophobic surface is accompanied by creation of layer of air. The effect of the air film has a potential of use in industry in many applications. The quality of the surface is influenced by matrix roughness, the character of physical or chemical cover. There was developed a method for analysis of the liquid flow and the air film using the lighting in volume, visualization with CCD camera and long distance microscope, and optical filters. There were prepared four stainless steel samples of inner channel of dimensions (80 × 8 × 8 mm and initial surface roughness Ra 0.33, Ra 1.0, Ra 2.0, and Ra 2.2. The inner channel was treated with plasma and commercial hydrophobic coating Greblon (WEILBURGER Coatings GmbH. There was realized study focused on the liquid flow velocity profile close to the air film. There are present results for laminar, transient and turbulent flows. The study also estimated the air film thickness depending on the Re number. The knowledge of the air film behaviour helps applied suitable degree of processing and cover for the target application.

  16. The role of hydrophobic interactions in positioning of peripheral proteins in membranes

    Directory of Open Access Journals (Sweden)

    Lomize Mikhail A

    2007-06-01

    Full Text Available Abstract Background Three-dimensional (3D structures of numerous peripheral membrane proteins have been determined. Biological activity, stability, and conformations of these proteins depend on their spatial positions with respect to the lipid bilayer. However, these positions are usually undetermined. Results We report the first large-scale computational study of monotopic/peripheral proteins with known 3D structures. The optimal translational and rotational positions of 476 proteins are determined by minimizing energy of protein transfer from water to the lipid bilayer, which is approximated by a hydrocarbon slab with a decadiene-like polarity and interfacial regions characterized by water-permeation profiles. Predicted membrane-binding sites, protein tilt angles and membrane penetration depths are consistent with spin-labeling, chemical modification, fluorescence, NMR, mutagenesis, and other experimental studies of 53 peripheral proteins and peptides. Experimental membrane binding affinities of peripheral proteins were reproduced in cases that did not involve a helix-coil transition, specific binding of lipids, or a predominantly electrostatic association. Coordinates of all examined peripheral proteins and peptides with the calculated hydrophobic membrane boundaries, subcellular localization, topology, structural classification, and experimental references are available through the Orientations of Proteins in Membranes (OPM database. Conclusion Positions of diverse peripheral proteins and peptides in the lipid bilayer can be accurately predicted using their 3D structures that represent a proper membrane-bound conformation and oligomeric state, and have membrane binding elements present. The success of the implicit solvation model suggests that hydrophobic interactions are usually sufficient to determine the spatial position of a protein in the membrane, even when electrostatic interactions or specific binding of lipids are substantial. Our

  17. Mixtures of Strongly Interacting Bosons in Optical Lattices

    International Nuclear Information System (INIS)

    Buonsante, P.; Penna, V.; Giampaolo, S. M.; Illuminati, F.; Vezzani, A.

    2008-01-01

    We investigate the properties of strongly interacting heteronuclear boson-boson mixtures loaded in realistic optical lattices, with particular emphasis on the physics of interfaces. In particular, we numerically reproduce the recent experimental observation that the addition of a small fraction of 41 K induces a significant loss of coherence in 87 Rb, providing a simple explanation. We then investigate the robustness against the inhomogeneity typical of realistic experimental realizations of the glassy quantum emulsions recently predicted to occur in strongly interacting boson-boson mixtures on ideal homogeneous lattices

  18. Glassy states in fermionic systems with strong disorder and interactions

    Science.gov (United States)

    Schwab, David J.; Chakravarty, Sudip

    2009-03-01

    We study the competition between interactions and disorder in two dimensions. Whereas a noninteracting system is always Anderson localized by disorder in two dimensions, a pure system can develop a Mott gap for sufficiently strong interactions. Within a simple model, with short-ranged repulsive interactions, we show that, even in the limit of strong interaction, the Mott gap is completely washed out by disorder for an infinite system for dimensions D≤2 , leading to a glassy state. Moreover, the Mott insulator cannot maintain a broken symmetry in the presence of disorder. We then show that the probability of a nonzero gap as a function of system size falls onto a universal curve, reflecting the glassy dynamics. An analytic calculation is also presented in one dimension that provides further insight into the nature of slow dynamics.

  19. Interaction between human BAP31 and respiratory syncytial virus small hydrophobic (SH) protein

    International Nuclear Information System (INIS)

    Li, Yan; Jain, Neeraj; Limpanawat, Suweeraya; To, Janet; Quistgaard, Esben M.; Nordlund, Par; Thanabalu, Thirumaran; Torres, Jaume

    2015-01-01

    The small hydrophobic (SH) protein is a short channel-forming polypeptide encoded by the human respiratory syncytial virus (hRSV). Deletion of SH protein leads to the viral attenuation in mice and primates, and delayed apoptosis in infected cells. We have used a membrane-based yeast two-hybrid system (MbY2H) and a library from human lung cDNA to detect proteins that bind SH protein. This led to the identification of a membrane protein, B-cell associated protein 31 (BAP31). Transfected SH protein co-localizes with transfected BAP31 in cells, and pulls down endogenous BAP31. Titration of purified C-terminal endodomain of BAP31 against isotopically labeled SH protein in detergent micelles suggests direct interaction between the two proteins. Given the key role of BAP31 in protein trafficking and its critical involvement in pro- and anti-apoptotic pathways, this novel interaction may constitute a potential drug target. - Highlights: • A yeast two-hybrid system (MbY2H) detected BAP31 as a binder of RSV SH protein. • Transfected SH and BAP31 co-localize in lung epithelial cells. • Endogenous BAP31 is pulled down by RSV SH protein. • BAP31 endodomain interacts with the N-terminal α-helix of SH protein in micelles. • This interaction is proposed to be a potential drug target

  20. New method of detecting hydrophobic interaction between C-terminal binding domain and biomacromolecules.

    Science.gov (United States)

    Huang, JiaFeng; Wu, RiBang; Wu, CuiLing; Liu, Dan; Zhang, Jiang; Liao, BinQiang; Lei, Ming; Xiao, Xiao; Ma, ChangBei; He, HaiLun

    2018-01-10

    The C-terminal domains of proteases play crucial roles in hydrolysis, substrate adsorption and targeted binding. Identifying and characterizing interactions between C-terminal domains and biomacromolecules can help to examine the diversity as well as the substrate-binding ability of C-terminal domains and to explore novel functions. The bacterial pre-peptidase C-terminal (PPC) domain is a typical C-terminal domain normally found at the C-terminus of bacterial secreted proteases. In this work, we successfully demonstrated that 8-anilinonaphthalene-1-sulfonic acid (ANS) could be used to rapidly determine the interactions between this C-terminal domain and biomacromolecules. The time-resolved ANS fluorescence of PPC and collagen interaction could be used for quantitative analysis of the collagen-binding capability based on the slope of the time-scanning curve. Using this method, we found that PPC domains had an obvious affinity to fibrillar proteins but had little or no capacity to bind polysaccharides or linear DNAs. Docking studies proved that collagen bound to the same hydrophobic site of PPC as the ANS probe, causing a decrease in the emission intensity. This method is simple and cost effective and provides an effective detection technique to analyze the interaction between this C-terminal domain and biomolecules. Copyright © 2017 Elsevier B.V. All rights reserved.

  1. Interaction between human BAP31 and respiratory syncytial virus small hydrophobic (SH) protein

    Energy Technology Data Exchange (ETDEWEB)

    Li, Yan; Jain, Neeraj; Limpanawat, Suweeraya; To, Janet [School of Biological Sciences, Nanyang Technological University, 637551 (Singapore); Quistgaard, Esben M. [Department of Medical Biochemistry and Biophysics, Karolinska Institutet, Stockholm (Sweden); Nordlund, Par [School of Biological Sciences, Nanyang Technological University, 637551 (Singapore); Department of Medical Biochemistry and Biophysics, Karolinska Institutet, Stockholm (Sweden); Thanabalu, Thirumaran [School of Biological Sciences, Nanyang Technological University, 637551 (Singapore); Torres, Jaume, E-mail: jtorres@ntu.edu.sg [School of Biological Sciences, Nanyang Technological University, 637551 (Singapore)

    2015-08-15

    The small hydrophobic (SH) protein is a short channel-forming polypeptide encoded by the human respiratory syncytial virus (hRSV). Deletion of SH protein leads to the viral attenuation in mice and primates, and delayed apoptosis in infected cells. We have used a membrane-based yeast two-hybrid system (MbY2H) and a library from human lung cDNA to detect proteins that bind SH protein. This led to the identification of a membrane protein, B-cell associated protein 31 (BAP31). Transfected SH protein co-localizes with transfected BAP31 in cells, and pulls down endogenous BAP31. Titration of purified C-terminal endodomain of BAP31 against isotopically labeled SH protein in detergent micelles suggests direct interaction between the two proteins. Given the key role of BAP31 in protein trafficking and its critical involvement in pro- and anti-apoptotic pathways, this novel interaction may constitute a potential drug target. - Highlights: • A yeast two-hybrid system (MbY2H) detected BAP31 as a binder of RSV SH protein. • Transfected SH and BAP31 co-localize in lung epithelial cells. • Endogenous BAP31 is pulled down by RSV SH protein. • BAP31 endodomain interacts with the N-terminal α-helix of SH protein in micelles. • This interaction is proposed to be a potential drug target.

  2. Role of a Hydrophobic Pocket in Polyamine Interactions with the Polyspecific Organic Cation Transporter OCT3*

    Science.gov (United States)

    Li, Dan C.; Nichols, Colin G.; Sala-Rabanal, Monica

    2015-01-01

    Organic cation transporter 3 (OCT3, SLC22A3) is a polyspecific, facilitative transporter expressed in astrocytes and in placental, intestinal, and blood-brain barrier epithelia, and thus elucidating the molecular mechanisms underlying OCT3 substrate recognition is critical for the rational design of drugs targeting these tissues. The pharmacology of OCT3 is distinct from that of other OCTs, and here we investigated the role of a hydrophobic cavity tucked within the translocation pathway in OCT3 transport properties. Replacement of an absolutely conserved Asp by charge reversal (D478E), neutralization (D478N), or even exchange (D478E) abolished MPP+ uptake, demonstrating this residue to be obligatory for OCT3-mediated transport. Mutations at non-conserved residues lining the putative binding pocket of OCT3 to the corresponding residue in OCT1 (L166F, F450L, and E451Q) reduced the rate of MPP+ transport, but recapitulated the higher sensitivity pharmacological profile of OCT1. Thus, interactions of natural polyamines (putrescine, spermidine, spermine) and polyamine-like potent OCT1 blockers (1,10-diaminodecane, decamethonium, bistriethylaminodecane, and 1,10-bisquinuclidinedecane) with wild-type OCT3 were weak, but were significantly potentiated in the mutant OCT3s. Conversely, a reciprocal mutation in OCT1 (F161L) shifted the polyamine-sensitivity phenotype toward that of OCT3. Further analysis indicated that OCT1 and OCT3 can recognize essentially the same substrates, but the strength of substrate-transporter interactions is weaker in OCT3, as informed by the distinct makeup of the hydrophobic cleft. The residues identified here are key contributors to both the observed differences between OCT3 and OCT1 and to the mechanisms of substrate recognition by OCTs in general. PMID:26405039

  3. Role of a Hydrophobic Pocket in Polyamine Interactions with the Polyspecific Organic Cation Transporter OCT3.

    Science.gov (United States)

    Li, Dan C; Nichols, Colin G; Sala-Rabanal, Monica

    2015-11-13

    Organic cation transporter 3 (OCT3, SLC22A3) is a polyspecific, facilitative transporter expressed in astrocytes and in placental, intestinal, and blood-brain barrier epithelia, and thus elucidating the molecular mechanisms underlying OCT3 substrate recognition is critical for the rational design of drugs targeting these tissues. The pharmacology of OCT3 is distinct from that of other OCTs, and here we investigated the role of a hydrophobic cavity tucked within the translocation pathway in OCT3 transport properties. Replacement of an absolutely conserved Asp by charge reversal (D478E), neutralization (D478N), or even exchange (D478E) abolished MPP(+) uptake, demonstrating this residue to be obligatory for OCT3-mediated transport. Mutations at non-conserved residues lining the putative binding pocket of OCT3 to the corresponding residue in OCT1 (L166F, F450L, and E451Q) reduced the rate of MPP(+) transport, but recapitulated the higher sensitivity pharmacological profile of OCT1. Thus, interactions of natural polyamines (putrescine, spermidine, spermine) and polyamine-like potent OCT1 blockers (1,10-diaminodecane, decamethonium, bistriethylaminodecane, and 1,10-bisquinuclidinedecane) with wild-type OCT3 were weak, but were significantly potentiated in the mutant OCT3s. Conversely, a reciprocal mutation in OCT1 (F161L) shifted the polyamine-sensitivity phenotype toward that of OCT3. Further analysis indicated that OCT1 and OCT3 can recognize essentially the same substrates, but the strength of substrate-transporter interactions is weaker in OCT3, as informed by the distinct makeup of the hydrophobic cleft. The residues identified here are key contributors to both the observed differences between OCT3 and OCT1 and to the mechanisms of substrate recognition by OCTs in general. © 2015 by The American Society for Biochemistry and Molecular Biology, Inc.

  4. New results on strong-interaction effects in antiprotonic hydrogen

    CERN Document Server

    Gotta, D; Augsburger, M A; Borchert, G L; Castelli, C M; Chatellard, D; El-Khoury, P; Egger, J P; Gorke, H; Hauser, P R; Indelicato, P J; Kirch, K; Lenz, S; Nelms, N; Rashid, K; Schult, O W B; Siems, T; Simons, L M

    1999-01-01

    Lyman and Balmer transitions of antiprotonic hydrogen and deuterium have been measured at the low-energy antiproton ring LEAR at CERN in order to determine the strong interaction effects. The X-rays were detected using charge-coupled devices (CCDs) and a reflection type crystal spectrometer. The results of the measurements support the meson-exchange models describing the medium and long range part of the nucleon-antinucleon interaction. (33 refs).

  5. New results on strong-interaction effects in antiprotonic hydrogen

    International Nuclear Information System (INIS)

    Anagnostopoulos, D. F.; Augsburger, M.; Borchert, G.; Castelli, C.; Chatellard, D.; El-Khoury, P.; Egger, J.-P.; Gorke, H.; Gotta, D.; Hauser, P.; Indelicato, P.; Kirch, K.; Lenz, S.; Nelms, N.; Rashid, K.; Schult, O. W. B.; Siems, Th.; Simons, L. M.

    1999-01-01

    Lyman and Balmer transitions of antiprotonic hydrogen and deuterium have been measured at the Low-Energy Antiproton Ring LEAR at CERN in order to determine the strong interaction effects. The X-rays were detected using Charge-Coupled Devices (CCDs) and a reflection type crystal spectrometer. The results of the measurements support the meson-exchange models describing the medium and long range part of the nucleon-antinucleon interaction

  6. Strong light-matter interaction in graphene - Invited talk

    DEFF Research Database (Denmark)

    Xiao, Sanshui

    of graphene with noble-metal nanostructures is currently being explored for strong light-graphene interaction. We introduce a novel hybrid graphene-metal system for studying light-matter interactions with gold-void nanostructures exhibiting resonances in the visible range[1]. The hybrid system is further......Graphene has attracted lots of attention due to its remarkable electronic and optical properties, thus providing great promise in photonics and optoelectronics. However, the performance of these devices is generally limited by the weak light-matter interaction in graphene. The combination...

  7. Discriminative deep inelastic tests of strong interaction field theories

    International Nuclear Information System (INIS)

    Glueck, M.; Reya, E.

    1979-02-01

    It is demonstrated that recent measurements of ∫ 0 1 F 2 (x, Q 2 )dx eliminate already all strong interaction field theories except QCD. A detailed study of scaling violations of F 2 (x, Q 2 ) in QCD shows their insensitivity to the gluon content of the hadron at presently measured values of Q 2 . (orig.) [de

  8. Strongly interacting mesoscopic systems of anyons in one dimension

    DEFF Research Database (Denmark)

    Zinner, N. T.

    2015-01-01

    Using the fractional statistical properties of so-called anyonic particles, we present exact solutions for up to six strongly interacting particles in one-dimensional confinement that interpolate the usual bosonic and fermionic limits. Specifically, we consider two-component mixtures of anyons...

  9. Interplay of Anderson localization and strong interaction in disordered systems

    Energy Technology Data Exchange (ETDEWEB)

    Henseler, Peter

    2010-01-15

    We study the interplay of disorder localization and strong local interactions within the Anderson-Hubbard model. Taking into account local Mott-Hubbard physics and static screening of the disorder potential, the system is mapped onto an effective single-particle Anderson model, which is studied within the self-consistent theory of electron localization. For fermions, we find rich nonmonotonic behavior of the localization length {xi}, particularly in two-dimensional systems, including an interaction-induced exponential enhancement of {xi} for small and intermediate disorders and a strong reduction of {xi} due to hopping suppression by strong interactions. In three dimensions, we identify for half filling a Mott-Hubbard-assisted Anderson localized phase existing between the metallic and the Mott-Hubbard-gapped phases. For small U there is re-entrant behavior from the Anderson localized phase to the metallic phase. For bosons, the unrestricted particle occupation number per lattice site yields a monotonic enhancement of {xi} as a function of decreasing interaction, which we assume to persist until the superfluid Bose-Einstein condensate phase is entered. Besides, we study cold atomic gases expanding, by a diffusion process, in a weak random potential. We show that the density-density correlation function of the expanding gas is strongly affected by disorder and we estimate the typical size of a speckle spot, i.e., a region of enhanced or depleted density. Both a Fermi gas and a Bose-Einstein condensate (in a mean-field approach) are considered. (orig.)

  10. Interplay of Anderson localization and strong interaction in disordered systems

    International Nuclear Information System (INIS)

    Henseler, Peter

    2010-01-01

    We study the interplay of disorder localization and strong local interactions within the Anderson-Hubbard model. Taking into account local Mott-Hubbard physics and static screening of the disorder potential, the system is mapped onto an effective single-particle Anderson model, which is studied within the self-consistent theory of electron localization. For fermions, we find rich nonmonotonic behavior of the localization length ξ, particularly in two-dimensional systems, including an interaction-induced exponential enhancement of ξ for small and intermediate disorders and a strong reduction of ξ due to hopping suppression by strong interactions. In three dimensions, we identify for half filling a Mott-Hubbard-assisted Anderson localized phase existing between the metallic and the Mott-Hubbard-gapped phases. For small U there is re-entrant behavior from the Anderson localized phase to the metallic phase. For bosons, the unrestricted particle occupation number per lattice site yields a monotonic enhancement of ξ as a function of decreasing interaction, which we assume to persist until the superfluid Bose-Einstein condensate phase is entered. Besides, we study cold atomic gases expanding, by a diffusion process, in a weak random potential. We show that the density-density correlation function of the expanding gas is strongly affected by disorder and we estimate the typical size of a speckle spot, i.e., a region of enhanced or depleted density. Both a Fermi gas and a Bose-Einstein condensate (in a mean-field approach) are considered. (orig.)

  11. A systematic study of the strong interaction with PANDA

    NARCIS (Netherlands)

    Messchendorp, J. G.; Hosaka, A; Khemchandani, K; Nagahiro, H; Nawa, K

    2011-01-01

    The theory of Quantum Chromo Dynamics (QCD) reproduces the strong interaction at distances much shorter than the size of the nucleon. At larger distance scales, the generation of hadron masses and confinement cannot yet be derived from first principles on basis of QCD. The PANDA experiment at FAIR

  12. Measurement of strong interaction parameters in antiprotonic hydrogen and deuterium

    CERN Document Server

    Augsburger, M A; Borchert, G L; Chatellard, D; Egger, J P; El-Khoury, P; Gorke, H; Gotta, D; Hauser, P R; Indelicato, P J; Kirch, K; Lenz, S; Siems, T; Simons, L M

    1999-01-01

    In the PS207 experiment at CERN, X-rays from antiprotonic hydrogen and deuterium have been measured at low pressure. The strong interaction shift and the broadening of the K/sub alpha / transition in antiprotonic hydrogen were $9 determined. Evidence was found for the individual hyperfine components of the protonium ground state. (7 refs).

  13. Emergence of junction dynamics in a strongly interacting Bose mixture

    DEFF Research Database (Denmark)

    Barfknecht, Rafael Emilio; Foerster, Angela; Zinner, Nikolaj Thomas

    We study the dynamics of a one-dimensional system composed of a bosonic background and one impurity in single- and double-well trapping geometries. In the limit of strong interactions, this system can be modeled by a spin chain where the exchange coefficients are determined by the geometry of the...

  14. High-throughput protein precipitation and hydrophobic interaction chromatography: salt effects and thermodynamic interrelation.

    Science.gov (United States)

    Nfor, Beckley K; Hylkema, Nienke N; Wiedhaup, Koenraad R; Verhaert, Peter D E M; van der Wielen, Luuk A M; Ottens, Marcel

    2011-12-09

    Salt-induced protein precipitation and hydrophobic interaction chromatography (HIC) are two widely used methods for protein purification. In this study, salt effects in protein precipitation and HIC were investigated for a broad combination of proteins, salts and HIC resins. Interrelation between the critical thermodynamic salting out parameters in both techniques was equally investigated. Protein precipitation data were obtained by a high-throughput technique employing 96-well microtitre plates and robotic liquid handling technology. For the same protein-salt combinations, isocratic HIC experiments were performed using two or three different commercially available stationary phases-Phenyl Sepharose low sub, Butyl Sepharose and Resource Phenyl. In general, similar salt effects and deviations from the lyotropic series were observed in both separation methods, for example, the reverse Hofmeister effect reported for lysozyme below its isoelectric point and at low salt concentrations. The salting out constant could be expressed in terms of the preferential interaction parameter in protein precipitation, showing that the former is, in effect, the net result of preferential interaction of a protein with water molecules and salt ions in its vicinity. However, no general quantitative interrelation was found between salting out parameters or the number of released water molecules in protein precipitation and HIC. In other words, protein solubility and HIC retention factor could not be quantitatively interrelated, although for some proteins, regular trends were observed across the different resins and salt types. Copyright © 2011 Elsevier B.V. All rights reserved.

  15. Symmetry-protected collisions between strongly interacting photons.

    Science.gov (United States)

    Thompson, Jeff D; Nicholson, Travis L; Liang, Qi-Yu; Cantu, Sergio H; Venkatramani, Aditya V; Choi, Soonwon; Fedorov, Ilya A; Viscor, Daniel; Pohl, Thomas; Lukin, Mikhail D; Vuletić, Vladan

    2017-02-09

    Realizing robust quantum phenomena in strongly interacting systems is one of the central challenges in modern physical science. Approaches ranging from topological protection to quantum error correction are currently being explored across many different experimental platforms, including electrons in condensed-matter systems, trapped atoms and photons. Although photon-photon interactions are typically negligible in conventional optical media, strong interactions between individual photons have recently been engineered in several systems. Here, using coherent coupling between light and Rydberg excitations in an ultracold atomic gas, we demonstrate a controlled and coherent exchange collision between two photons that is accompanied by a π/2 phase shift. The effect is robust in that the value of the phase shift is determined by the interaction symmetry rather than the precise experimental parameters, and in that it occurs under conditions where photon absorption is minimal. The measured phase shift of 0.48(3)π is in excellent agreement with a theoretical model. These observations open a route to realizing robust single-photon switches and all-optical quantum logic gates, and to exploring novel quantum many-body phenomena with strongly interacting photons.

  16. Design and synthesis of an amphiphilic graft hydrogel having a hydrophobic domain formed by multiple interactions

    International Nuclear Information System (INIS)

    Nitta, Kyohei; Kimoto, Atsushi; Watanabe, Junji

    2016-01-01

    A novel hydrogel having hydrophobic oligo segments and hydrophilic poly(acrylamidoglycolic acid) (PAGA) as pH responsive polymer segments was designed and synthesized to be used as a soft biomaterial. Poly(trimethylene carbonate) (PTMC) as the side chain, for which the degrees of polymerization were 9, 19, and 49, and the composition ratios were 1, 5, and 10 mol%, was used as the oligo segment in the hydrogel. The swelling ratio of the hydrogel was investigated under various changes in conditions such as pH, temperature, and hydrogen bonding upon urea addition. Under pH 2–11 conditions, the graft gel reversibly swelled and shrank due to the effect of PAGA main chain. The interior morphology and skin layer of the hydrogel was observed by a scanning electron microscope. The hydrogel composed of PAGA as the hydrophilic polymer backbone had a sponge-like structure, with a pore size of approximately 100 μm. On the other hand, upon increasing the ratio of trimethylene carbonate (TMC) units in the hydrogel, the pores became smaller or disappeared. Moreover, thickness of the skin layer significantly increased with the swelling ratio depended on the incorporation ratios of the PTMC macromonomer. Molecular incorporation in the hydrogel was evaluated using a dye as a model drug molecule. These features would play an important role in drug loading. Increasing the ratio of TMC units favored the adsorption of the dye and activation of the incorporation behavior. - Highlights: • Hydrogen bonding and hydrophobic interaction are dominant factor for forming hydrogels. • Hydrogel properties were tuned by changing in graft length and macromonomer content in feed. • The resulting graft gel could encapsulate and retain organic dye in the hydrogel. • Poly(trimethylene carbonate) segment in the hydrogel was dominant unit for hydrogel.

  17. Enthalpy-entropy contributions to salt and osmolyte effects on molecular-scale hydrophobic hydration and interactions.

    Science.gov (United States)

    Athawale, Manoj V; Sarupria, Sapna; Garde, Shekhar

    2008-05-08

    Salts and additives can significantly affect the strength of water-mediated interactions in solution. We present results from molecular dynamics simulations focused on the thermodynamics of hydrophobic hydration, association, and the folding-unfolding of a hydrophobic polymer in water and in aqueous solutions of NaCl and of an osmolyte trimethylamine oxide (TMAO). It is known that addition of NaCl makes the hydration of hydrophobic solutes unfavorable and, correspondingly, strengthens their association at the pair as well as the many-body level (Ghosh, T.; Kalra, A.; Garde, S. J. Phys. Chem. B 2005, 109, 642), whereas the osmolyte TMAO has an almost negligible effect on the hydrophobic hydration and association (Athawale, M. V.; Dordick, J. S.; Garde, S. Biophys. J. 2005, 89, 858). Whether these effects are enthalpic or entropic in origin is not fully known. Here we perform temperature-dependent simulations to resolve the free energy into entropy and enthalpy contributions. We find that in TMAO solutions, there is an almost precise entropy-enthalpy compensation leading to the negligible effect of TMAO on hydrophobic phenomena. In contrast, in NaCl solutions, changes in enthalpy dominate, making the salt-induced strengthening of hydrophobic interactions enthalpic in origin. The resolution of total enthalpy into solute-solvent and solvent-solvent terms further shows that enthalpy changes originate primarily from solvent-solvent energy terms. Our results are consistent with experimental data on the hydration of small hydrophobic solutes by Ben-Naim and Yaacobi (Ben-Naim, A.; Yaacobi, M. J. Phys. Chem. 1974, 78, 170). In combination with recent work by Zangi, Hagen, and Berne (Zangi, R.; Hagen, M.; Berne, B. J. J. Am. Chem. Soc. 2007, 129, 4678) and the experimental data on surface tensions of salt solutions by Matubayasi et al. (Matubayasi, N.; Matsuo, H.; Yamamoto, K.; Yamaguchi, S.; Matuzawa, A. J. Colloid Interface Sci. 1999, 209, 398), our results highlight

  18. Finding strongly interacting symmetry breaking at the SSC

    International Nuclear Information System (INIS)

    Golden, M.

    1989-02-01

    Pairs of gauge bosons, W and Z, are a probe of the electroweak symmetry-breaking sector, since the numbers of two gauge boson events are much larger in strongly coupled models than weak. The doubly charged channels W + W + and W/sup /minus//W/sup/minus// are cleanest, since they do not suffer from q/bar q/ or gg fusion backgrounds. The like-charged gauge boson events are observable only if the symmetry breaking sector is strongly interacting. 19 refs., 4 figs., 2 tabs

  19. Electrostatic compared with hydrophobic interactions between bovine serum amine oxidase and its substrates.

    Science.gov (United States)

    Di Paolo, Maria Luisa; Stevanato, Roberto; Corazza, Alessandra; Vianello, Fabio; Lunelli, Lorenzo; Scarpa, Marina; Rigo, Adelio

    2003-01-01

    A steady-state kinetic study of bovine serum amine oxidase activity was performed, over a wide range of pH values (5.4-10.2) and ionic strength (10-200 mM), using various (physiological and analogue) substrates as specific probes of the active-site binding region. Relatively small changes in k (cat) values (approx. one order of magnitude) accompanied by marked changes in K(m) and k(cat)/K(m) values (approx. six orders of magnitude) were observed. This behaviour was correlated with the presence of positively charged groups or apolar chains in the substrates. In particular, it was found that the docking of the physiological polyamines, i.e. spermidine and spermine, appears to be modulated by three amino acid residues of the active site, which we have named L(-)H(+), G(-)H(+) and IH(+), characterized by p K (a) values of 6.2+/-0.2 [Di Paolo, Scarpa, Corazza, Stevanato and Rigo (2002) Biophys. J. 83, 2231-2239], 8.2+/-0.3 and 7.8+/-0.4 respectively. The electrostatic interaction between the protonated substrates and the enzyme containing the residues L(-)H(+), G(-)H(+) and IH(+) in the deprotonated form, the on/off role of the IH(+) residue and the role of hydrophobic interactions with substrates characterized by apolar chains are discussed. PMID:12529179

  20. On the strong crack-microcrack interaction problem

    Science.gov (United States)

    Gorelik, M.; Chudnovsky, A.

    1992-07-01

    The problem of the crack-microcrack interaction is examined with special attention given to the iterative procedure described by Chudnovsky and Kachanov (1983), Chudnovsky et al. (1984), and Horii and Nemat-Nasser (1983), which yields erroneous results as the crack tips become closer (i.e., for strong crack interaction). To understand the source of error, the traction distributions along the microcrack line on the n-th step of iteration representing the exact and asymptotic stress fields are compared. It is shown that the asymptotic solution gives a gross overestimation of the actual traction.

  1. Polymer-surfactant interactions studied by titration microcalorimetry : Influence of polymer hydrophobicity, electrostatic forces, and surfactant aggregational state

    NARCIS (Netherlands)

    Kevelam, J; van Breemen, J.F.L.; Blokzijl, W.; Engberts, J.B.F.N.

    1996-01-01

    Isothermal titration microcalorimetry has been applied to investigate the interactions between hydrophobically-modified water-soluble polymers and surfactants. The following polymers were used in this study: poly(sodium acrylate-co-n-alkyl methacrylate) (A), where n-alkyl = C9H19, C12H25, and C18H37

  2. Ruling out a strongly interacting standard Higgs model

    International Nuclear Information System (INIS)

    Riesselmann, K.; Willenbrock, S.

    1997-01-01

    Previous work has suggested that perturbation theory is unreliable for Higgs- and Goldstone-boson scattering, at energies above the Higgs-boson mass, for relatively small values of the Higgs quartic coupling λ(μ). By performing a summation of nonlogarithmic terms, we show that perturbation theory is in fact reliable up to relatively large coupling. This eliminates the possibility of a strongly interacting standard Higgs model at energies above the Higgs-boson mass, complementing earlier studies which excluded strong interactions at energies near the Higgs-boson mass. The summation can be formulated in terms of an appropriate scale in the running coupling, μ=√(s)/e∼√(s)/2.7, so it can be incorporated easily in renormalization-group-improved tree-level amplitudes as well as higher-order calculations. copyright 1996 The American Physical Society

  3. A connection between the strong and weak interactions

    International Nuclear Information System (INIS)

    Treiman, S.B.

    1989-01-01

    By studying weak scattering reactions (such as pion-nucleon scattering), the author and his colleague Marvin L Goldberger became renowned in the 1950s for work on dispersion relations. As a result of their collaboration a remarkable and unexpected connection was found between strong and weak interaction quantities. Agreement with experiment was good. Work by others found the same result, but via the partially conserved axial reactor current relation between the axial current divergence and the canonical pion field. (UK)

  4. Thermodynamics of strong-interaction matter from Lattice QCD

    OpenAIRE

    Ding, Heng-Tong; Karsch, Frithjof; Mukherjee, Swagato

    2015-01-01

    We review results from lattice QCD calculations on the thermodynamics of strong-interaction matter with emphasis on input these calculations can provide to the exploration of the phase diagram and properties of hot and dense matter created in heavy ion experiments. This review is organized as follows: 1) Introduction, 2) QCD thermodynamics on the lattice, 3) QCD phase diagram at high temperature, 4) Bulk thermodynamics, 5) Fluctuations of conserved charges, 6) Transport properties, 7) Open he...

  5. The Electron-Phonon Interaction in Strongly Correlated Systems

    International Nuclear Information System (INIS)

    Castellani, C.; Grilli, M.

    1995-01-01

    We analyze the effect of strong electron-electron repulsion on the electron-phonon interaction from a Fermi-liquid point of view and show that the electron-electron interaction is responsible for vertex corrections, which generically lead to a strong suppression of the electron-phonon coupling in the v F q/ω >>1 region, while such effect is not present when v F q/ω F is the Fermi velocity and q and ω are the transferred momentum and frequency respectively. In particular the e-ph scattering is suppressed in transport properties which are dominated by low-energy-high-momentum processes. On the other hand, analyzing the stability criterion for the compressibility, which involves the effective interactions in the dynamical limit, we show that a sizable electron-phonon interaction can push the system towards a phase-separation instability. Finally a detailed analysis of these ideas is carried out using a slave-boson approach for the infinite-U three-band Hubbard model in the presence of a coupling between the local hole density and a dispersionless optical phonon. (author)

  6. A new class of organogelators based on triphenylmethyl derivatives of primary alcohols: hydrophobic interactions alone can mediate gelation

    Directory of Open Access Journals (Sweden)

    Wangkhem P. Singh

    2017-01-01

    Full Text Available In the present work, we have explored the use of the triphenylmethyl group, a commonly used protecting group for primary alcohols as a gelling structural component in the design of molecular gelators. We synthesized a small library of triphenylmethyl derivatives of simple primary alcohols and studied their gelation properties in different solvents. Gelation efficiency for some of the derivatives was moderate to excellent with a minimum gelation concentration ranging between 0.5–4.0% w/v and a gel–sol transition temperature range of 31–75 °C. 1,8-Bis(trityloxyoctane, the ditrityl derivative of 1,8-octanediol was the most efficient organogelator. Detailed characterizations of the gel were carried out using scanning electron microscopy, FTIR spectroscopy, rheology and powder XRD techniques. This gel also showed a good absorption profile for a water soluble dye. Given the non-polar nature of this molecule, gel formation is likely to be mediated by hydrophobic interactions between the triphenylmethyl moieties and alkyl chains. Possible self-assembled packing arrangements in the gel state for 1,8-bis(trityloxyoctane and (hexadecyloxymethanetriyltribenzene are presented. Results from this study strongly indicate that triphenylmethyl group is a promising gelling structural unit which may be further exploited in the design of small molecule based gelators.

  7. Isolation of soybean protein P34 from oil bodies using hydrophobic interaction chromatography

    Directory of Open Access Journals (Sweden)

    Seidel-Morgenstern Andreas

    2008-03-01

    Full Text Available Abstract Background Soybeans play a prominent role in allergologic research due to the high incidence of allergic reactions. For detailed studies on specific proteins it is necessary to have access to a large amount of pure substance. Results In this contribution, a method for purifying soybean (Glycine max protein P34 (also called Gly m Bd 30 K or Gly m 1 using hydrophobic interaction chromatography is presented. After screening experiments using 1 mL HiTrap columns, Butyl Sepharose 4 FF was selected for further systematic investigations. With this stationary phase, suitable operation conditions for two-step gradient elution using ammonium sulphate were determined experimentally. The separation conditions obtained in a small column could be scaled up successfully to column volumes of 7.5 and 75 mL, allowing for high product purities of almost 100% with a yield of 27% for the chromatographic separation step. Conditions could be simplified further using a onestep gradient, which gave comparable purification in a shorter process time. The identity of the purified protein was verified using in-gel digestion and mass spectrometry as well as immunological techniques. Conclusion With the technique presented it is possible to produce, within a short timeframe, pure P34, suitable for further studies where an example antigen is needed.

  8. Hydrophobic interaction chromatography of proteins. IV. Protein adsorption capacity and transport in preparative mode.

    Science.gov (United States)

    To, Brian C S; Lenhoff, Abraham M

    2011-01-21

    The adsorption isotherms of four model proteins (lysozyme, α-lactalbumin, ovalbumin, and BSA) on eight commercial phenyl hydrophobic interaction chromatography media were measured. The isotherms were softer than those usually seen in ion-exchange chromatography of proteins, and the static capacities of the media were lower, ranging from 30 to 110 mg/mL, depending on the ammonium sulfate concentration and the protein and adsorbent types. The protein-accessible surface area appears to be the main factor determining the binding capacity, and little correlation was seen with the protein affinities of the adsorbents. Breakthrough experiments showed that the dynamic capacities of the adsorbents at 10% breakthrough were 20-80% of the static capacities, depending on adsorbent type. Protein diffusivities in the adsorbents were estimated from batch uptake experiments using the pore diffusion and homogeneous diffusion models. Protein transport was affected by the adsorbent pore structures. Apparent diffusivities were higher at lower salt concentrations and column loadings, suggesting that adsorbed proteins may retard intraparticle protein transport. The diffusivities estimated from the batch uptake experiments were used to predict column breakthrough behavior. Analytical solutions developed for ion-exchange systems were able to provide accurate predictions for lysozyme breakthrough but not for ovalbumin. Impurities in the ovalbumin solutions used for the breakthrough experiments may have affected the ovalbumin uptake and led to the discrepancies between the predictions and the experimental results. Copyright © 2010 Elsevier B.V. All rights reserved.

  9. Interactions between nano-TiO{sub 2} and the oral cavity: Impact of nanomaterial surface hydrophilicity/hydrophobicity

    Energy Technology Data Exchange (ETDEWEB)

    Teubl, Birgit J.; Schimpel, Christa [Institute of Pharmaceutical Sciences, Department of Pharmaceutical Technology, University of Graz, 8010 (Austria); Leitinger, Gerd [Institute of Cell Biology, Histology and Embryology, Research Unit Electron Microscopic Techniques, Medical University of Graz, 8010 (Austria); Center for Medical Research, Medical University of Graz, 8010 (Austria); BioTechMed, Graz 8010 (Austria); Bauer, Bettina [Institute of Pharmaceutical Sciences, Department of Pharmaceutical Technology, University of Graz, 8010 (Austria); Fröhlich, Eleonore [Center for Medical Research, Medical University of Graz, 8010 (Austria); BioTechMed, Graz 8010 (Austria); Zimmer, Andreas [Institute of Pharmaceutical Sciences, Department of Pharmaceutical Technology, University of Graz, 8010 (Austria); BioTechMed, Graz 8010 (Austria); Roblegg, Eva, E-mail: eva.roblegg@uni-graz.at [Institute of Pharmaceutical Sciences, Department of Pharmaceutical Technology, University of Graz, 8010 (Austria); BioTechMed, Graz 8010 (Austria)

    2015-04-09

    Highlights: • Hydrophilic as well as hydrophobic TiO{sub 2} NPs agglomerated under oral physiological conditions. • Particles penetrated the upper and lower buccal epithelium, independent on the degree of hydrophilicity. • Most of the hydrophobic particles were found in vesicular structures, while hydrophilic particles were freely distributed in the cytoplasm. • Hydrophilic particles had a higher potential to trigger toxic effects (e.g., ROS) than hydrophobic particles. - Abstract: Titanium dioxide (TiO{sub 2}) nanoparticles are available in a variety of oral applications, such as food additives and cosmetic products. Thus, questions about their potential impact on the oro-gastrointestinal route rise. The oral cavity represents the first portal of entry and is known to rapidly interact with nanoparticles. Surface charge and size contribute actively to the particle–cell interactions, but the influence of surface hydrophilicity/hydrophobicity has never been shown before. This study addresses the biological impact of hydrophilic (NM 103, rutile, 20 nm) and hydrophobic (NM 104, rutile, 20 nm) TiO{sub 2} particles within the buccal mucosa. Particle characterization was addressed with dynamic light scattering and laser diffraction. Despite a high agglomeration tendency, 10% of the particles/agglomerates were present in the nanosized range and penetrated into the mucosa, independent of the surface properties. However, significant differences were observed in intracellular particle localization. NM 104 particles were found freely distributed in the cytoplasm, whereas their hydrophobic counterparts were engulfed in vesicular structures. Although cell viability/membrane integrity was not affected negatively, screening assays demonstrated that NM 104 particles showed a higher potential to decrease the physiological mitochondrial membrane potential than NM 103, resulting in a pronounced generation of reactive oxygen species.

  10. Dispersion interactions govern the strong thermal stability of a protein

    Czech Academy of Sciences Publication Activity Database

    Vondrášek, Jiří; Kubař, Tomáš; Jenney, Jr., F. E.; Adams, M. W. W.; Kožíšek, Milan; Černý, Jiří; Sklenář, V.; Hobza, Pavel

    2007-01-01

    Roč. 13, č. 32 (2007), s. 9022-9027 ISSN 0947-6539 R&D Projects: GA MŠk 1M0508; GA MŠk LC512; GA AV ČR IAA400550510; GA ČR GA203/06/1727; GA ČR(CZ) GD203/05/H001 Institutional research plan: CEZ:AV0Z40550506 Keywords : ab initio calculations * hydrophobic core * hydrophobic effect * molecular modeling * NMR spectroscopy Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 5.330, year: 2007

  11. Nonperturbative Dynamics of Strong Interactions from Gauge/Gravity Duality

    Energy Technology Data Exchange (ETDEWEB)

    Grigoryan, Hovhannes [Louisiana State Univ., Baton Rouge, LA (United States)

    2008-08-01

    This thesis studies important dynamical observables of strong interactions such as form factors. It is known that Quantum Chromodynamics (QCD) is a theory which describes strong interactions. For large energies, one can apply perturbative techniques to solve some of the QCD problems. However, for low energies QCD enters into the nonperturbative regime, where di erent analytical or numerical tools have to be applied to solve problems of strong interactions. The holographic dual model of QCD is such an analytical tool that allows one to solve some nonperturbative QCD problems by translating them into a dual ve-dimensional theory de ned on some warped Anti de Sitter (AdS) background. Working within the framework of the holographic dual model of QCD, we develop a formalism to calculate form factors and wave functions of vector mesons and pions. As a result, we provide predictions of the electric radius, the magnetic and quadrupole moments which can be directly veri ed in lattice calculations or even experimentally. To nd the anomalous pion form factor, we propose an extension of the holographic model by including the Chern-Simons term required to reproduce the chiral anomaly of QCD. This allows us to nd the slope of the form factor with one real and one slightly o -shell photon which appeared to be close to the experimental ndings. We also analyze the limit of large virtualities (when the photon is far o -shell) and establish that predictions of the holographic model analytically coincide with those of perturbative QCD with asymptotic pion distribution amplitude. We also study the e ects of higher dimensional terms in the AdS/QCD model and show that these terms improve the holographic description towards a more realistic scenario. We show this by calculating corrections to the vector meson form factors and corrections to the observables such as electric radii, magnetic and quadrupole moments.

  12. Structure dependent hydrophobic and hydrophilic interactions between nickel(II) Schiff base complexes and serum albumins: Spectroscopic and docking studies

    International Nuclear Information System (INIS)

    Koley Seth, Banabithi; Ray, Aurkie; Banerjee, Mousumi; Bhattacharyya, Teerna; Bhattacharyya, Dhananjay; Basu, Samita

    2016-01-01

    A systematic and comparative binding study between serum-albumins (SA) and a series of monomeric nickel(II)-Schiff-base-complexes (NSCs), which might be imperative to investigate the function of SA behind nickel allergy, has been carried out through docking and different spectroscopic techniques. The initial docking studies indicate structure-dependent selective hydrophobic and hydrophilic interactions. The pyridine and phenyl containing NSCs, which are more aromatic, show better π–π staking compared to pyrrole one. Again all the NSCs bind with BSA though amino acid residues of IB domain affecting local environment of the Trp-134 surrounded by both hydrophobic and hydrophilic residues instead of the hydrophobically buried Trp-212. In HSA the hydophobically buried Trp-214 is influenced by NSCs. The experimental results nicely support the docking outcomes. The changes in Gibbs free energy, binding affinity and the nature of hydrophilic/hydrophobic interactions of NSC–SA systems indicate greater accessibility of N_2O_2 donor set complex compared to N_4 one towards SA. Quantum chemical structure optimizations support the better planarity of NSC with N_2O_2 which provides better binding. Therefore the structural variation of N_2O_2 donor set complexes becomes much more useful compared to N_4 one to search out the most compatible NSC towards SAs.

  13. Structure dependent hydrophobic and hydrophilic interactions between nickel(II) Schiff base complexes and serum albumins: Spectroscopic and docking studies

    Energy Technology Data Exchange (ETDEWEB)

    Koley Seth, Banabithi; Ray, Aurkie; Banerjee, Mousumi; Bhattacharyya, Teerna [Chemical Sciences Division, Saha Institute of Nuclear Physics, 1/AF Bidhannagar, Kolkata 700064 (India); Bhattacharyya, Dhananjay [Computational Sciences Division, Saha Institute of Nuclear Physics, 1/AF Bidhannagar, Kolkata 700064 (India); Basu, Samita, E-mail: samita.basu@saha.ac.in [Chemical Sciences Division, Saha Institute of Nuclear Physics, 1/AF Bidhannagar, Kolkata 700064 (India)

    2016-03-15

    A systematic and comparative binding study between serum-albumins (SA) and a series of monomeric nickel(II)-Schiff-base-complexes (NSCs), which might be imperative to investigate the function of SA behind nickel allergy, has been carried out through docking and different spectroscopic techniques. The initial docking studies indicate structure-dependent selective hydrophobic and hydrophilic interactions. The pyridine and phenyl containing NSCs, which are more aromatic, show better π–π staking compared to pyrrole one. Again all the NSCs bind with BSA though amino acid residues of IB domain affecting local environment of the Trp-134 surrounded by both hydrophobic and hydrophilic residues instead of the hydrophobically buried Trp-212. In HSA the hydophobically buried Trp-214 is influenced by NSCs. The experimental results nicely support the docking outcomes. The changes in Gibbs free energy, binding affinity and the nature of hydrophilic/hydrophobic interactions of NSC–SA systems indicate greater accessibility of N{sub 2}O{sub 2} donor set complex compared to N{sub 4} one towards SA. Quantum chemical structure optimizations support the better planarity of NSC with N{sub 2}O{sub 2} which provides better binding. Therefore the structural variation of N{sub 2}O{sub 2} donor set complexes becomes much more useful compared to N{sub 4} one to search out the most compatible NSC towards SAs.

  14. The hadronic standard model for strong and electroweak interactions

    Energy Technology Data Exchange (ETDEWEB)

    Raczka, R. [Soltan Inst. for Nuclear Studies, Otwock-Swierk (Poland)

    1993-12-31

    We propose a new model for strong and electro-weak interactions. First, we review various QCD predictions for hadron-hadron and lepton-hadron processes. We indicate that the present formulation of strong interactions in the frame work of Quantum Chromodynamics encounters serious conceptual and numerical difficulties in a reliable description of hadron-hadron and lepton-hadron interactions. Next we propose to replace the strong sector of Standard Model based on unobserved quarks and gluons by the strong sector based on the set of the observed baryons and mesons determined by the spontaneously broken SU(6) gauge field theory model. We analyse various properties of this model such as asymptotic freedom, Reggeization of gauge bosons and fundamental fermions, baryon-baryon and meson-baryon high energy scattering, generation of {Lambda}-polarization in inclusive processes and others. Finally we extend this model by electro-weak sector. We demonstrate a remarkable lepton and hadron anomaly cancellation and we analyse a series of important lepton-hadron and hadron-hadron processes such as e{sup +} + e{sup -} {yields} hadrons, e{sup +} + e{sup -} {yields} W{sup +} + W{sup -}, e{sup +} + e{sup -} {yields} p + anti-p, e + p {yields} e + p and p + anti-p {yields} p + anti-p processes. We obtained a series of interesting new predictions in this model especially for processes with polarized particles. We estimated the value of the strong coupling constant {alpha}(M{sub z}) and we predicted the top baryon mass M{sub {Lambda}{sub t}} {approx_equal} 240 GeV. Since in our model the proton, neutron, {Lambda}-particles, vector mesons like {rho}, {omega}, {phi}, J/{psi} ect. and leptons are elementary most of experimentally analysed lepton-hadron and hadron-hadron processes in LEP1, LEP2, LEAR, HERA, HERMES, LHC and SSC experiments may be relatively easily analysed in our model. (author). 252 refs, 65 figs, 1 tab.

  15. Emergence of junction dynamics in a strongly interacting Bose mixture

    DEFF Research Database (Denmark)

    Barfknecht, Rafael Emilio; Foerster, Angela; Zinner, Nikolaj Thomas

    We study the dynamics of a one-dimensional system composed of a bosonic background and one impurity in single- and double-well trapping geometries. In the limit of strong interactions, this system can be modeled by a spin chain where the exchange coefficients are determined by the geometry...... of the trap. We observe non-trivial dynamics when the repulsion between the impurity and the background is dominant. In this regime, the system exhibits oscillations that resemble the dynamics of a Josephson junction. Furthermore, the double-well geometry allows for an enhancement in the tunneling as compared...

  16. Strongly modified plasmon-matter interaction with mesoscopic quantum emitters

    DEFF Research Database (Denmark)

    Andersen, Mads Lykke; Stobbe, Søren; Søndberg Sørensen, Anders

    2011-01-01

    Semiconductor quantum dots (QDs) provide useful means to couple light and matter in applications such as light-harvesting1, 2 and all-solid-state quantum information processing3, 4. This coupling can be increased by placing QDs in nanostructured optical environments such as photonic crystals...... or metallic nanostructures that enable strong confinement of light and thereby enhance the light–matter interaction. It has thus far been assumed that QDs can be described in the same way as atomic photon emitters—as point sources with wavefunctions whose spatial extent can be disregarded. Here we demonstrate...

  17. Strongly interacting atom lasers in three-dimensional optical lattices.

    Science.gov (United States)

    Hen, Itay; Rigol, Marcos

    2010-10-29

    We show that the dynamical melting of a Mott insulator in a three-dimensional lattice leads to condensation at nonzero momenta, a phenomenon that can be used to generate strongly interacting atom lasers in optical lattices. For infinite on-site repulsion, the case considered here, the momenta at which bosons condense are determined analytically and found to have a simple dependence on the hopping amplitudes. The occupation of the condensates is shown to scale linearly with the total number of atoms in the initial Mott insulator. Our results are obtained by using a Gutzwiller-type mean-field approach, gauged against exact-diagonalization solutions of small systems.

  18. Ising models of strongly coupled biological networks with multivariate interactions

    Science.gov (United States)

    Merchan, Lina; Nemenman, Ilya

    2013-03-01

    Biological networks consist of a large number of variables that can be coupled by complex multivariate interactions. However, several neuroscience and cell biology experiments have reported that observed statistics of network states can be approximated surprisingly well by maximum entropy models that constrain correlations only within pairs of variables. We would like to verify if this reduction in complexity results from intricacies of biological organization, or if it is a more general attribute of these networks. We generate random networks with p-spin (p > 2) interactions, with N spins and M interaction terms. The probability distribution of the network states is then calculated and approximated with a maximum entropy model based on constraining pairwise spin correlations. Depending on the M/N ratio and the strength of the interaction terms, we observe a transition where the pairwise approximation is very good to a region where it fails. This resembles the sat-unsat transition in constraint satisfaction problems. We argue that the pairwise model works when the number of highly probable states is small. We argue that many biological systems must operate in a strongly constrained regime, and hence we expect the pairwise approximation to be accurate for a wide class of problems. This research has been partially supported by the James S McDonnell Foundation grant No.220020321.

  19. Solubility and binding properties of PEGylated lysozyme derivatives with increasing molecular weight on hydrophobic-interaction chromatographic resins.

    Science.gov (United States)

    Müller, Egbert; Josic, Djuro; Schröder, Tim; Moosmann, Anna

    2010-07-09

    Dynamic binding capacities and resolution of PEGylated lysozyme derivatives with varying molecular weights of poly (ethylene) glycol (PEG) with 5 kDa, 10 kDa and 30 kDa for HIC resins and columns are presented. To find the optimal range for the operating conditions, solubility studies were performed by high-throughput analyses in a 96-well plate format, and optimal salt concentrations and pH values were determined. The solubility of PEG-proteins was strongly influenced by the length of the PEG moiety. Large differences in the solubilities of PEGylated lysozymes in two different salts, ammonium sulfate and sodium chloride were found. Solubility of PEGylated lysozyme derivatives in ammonium sulfate decreases with increased length of attached PEG chains. In sodium chloride all PEGylated lysozyme derivatives are fully soluble in a concentration range between 0.1 mg protein/ml and 10 mg protein/ml. The binding capacities for PEGylated lysozyme to HIC resins are dependent on the salt type and molecular weight of the PEG polymer. In both salt solutions, ammonium sulfate and sodium chloride, the highest binding capacity of the resin was found for 5 kDa PEGylated lysozyme. For both native lysozyme and 30 kDa mono-PEGylated lysozyme the binding capacities were lower. In separation experiments on a TSKgel Butyl-NPR hydrophobic-interaction column with ammonium sulfate as mobile phase, the elution order was: native lysozyme, 5 kDa mono-PEGylated lysozyme and oligo-PEGylated lysozyme. This elution order was found to be reversed when sodium chloride was used. Furthermore, the resolution of the three mono-PEGylated forms was not possible with this column and ammonium sulfate as mobile phase. In 4 M sodium chloride a resolution of all PEGylated lysozyme forms was achieved. A tentative explanation for these phenomena can be the increased solvation of the PEG polymers in sodium chloride which changes the usual attractive hydrophobic forces in ammonium sulfate to more repulsive

  20. Selective adsorption of norfloxacin in aqueous media by an imprinted polymer based on hydrophobic and electrostatic interactions.

    Science.gov (United States)

    Xu, Zhifeng; Kuang, Daizhi; Liu, Lan; Deng, Qinying

    2007-09-21

    Based on hydrophobic and electrostatic interactions, a norfloxacin (NOF) imprinted polymer (P1) was prepared by the combined use of bismethacryloyl-beta-cyclodextrin (BMA-beta-CD) and 2-(diethylamino)ethylmethacrylate (DEAEM) as functional monomers. Compared with the molecularly imprinted polymers (MIPs) using only BMA-beta-CD or DEAEM as a functional monomer, P2 and P3, respectively, P1 showed higher binding affinity and specificity for NOF in aqueous media. Scatchard plot analysis revealed that two classes of binding sites were formed in the imprinted polymer with dissociation constants of 0.32 micromol/ml and 1.19 micromol/ml, respectively. It demonstrated that the combination of hydrophobic effect and electrostatic interaction in molecular imprinting was essential for the improvement of the selective ability of the imprinted polymer. Factors that influenced rebinding of the imprinted polymer including pH, water content in the adsorbed solution were explored.

  1. Prediction of protein retention times in hydrophobic interaction chromatography by robust statistical characterization of their atomic-level surface properties.

    Science.gov (United States)

    Hanke, Alexander T; Klijn, Marieke E; Verhaert, Peter D E M; van der Wielen, Luuk A M; Ottens, Marcel; Eppink, Michel H M; van de Sandt, Emile J A X

    2016-03-01

    The correlation between the dimensionless retention times (DRT) of proteins in hydrophobic interaction chromatography (HIC) and their surface properties were investigated. A ternary atomic-level hydrophobicity scale was used to calculate the distribution of local average hydrophobicity across the proteins surfaces. These distributions were characterized by robust descriptive statistics to reduce their sensitivity to small changes in the three-dimensional structure. The applicability of these statistics for the prediction of protein retention behaviour was looked into. A linear combination of robust statistics describing the central tendency, heterogeneity and frequency of highly hydrophobic clusters was found to have a good predictive capability (R2  = 0.78), when combined a factor to account for protein size differences. The achieved error of prediction was 35% lower than for a similar model based on a description of the protein surface on an amino acid level. This indicates that a robust and mathematically simple model based on an atomic description of the protein surface can be used for the prediction of the retention behaviour of conformationally stable globular proteins with a well determined 3D structure in HIC. © 2016 American Institute of Chemical Engineers Biotechnol. Prog., 32:372-381, 2016. © 2016 American Institute of Chemical Engineers.

  2. Interaction of premicellar states of a PEO-PPO-PEO triblock copolymer with partially hydrophobic substances: NMR study

    Czech Academy of Sciences Publication Activity Database

    Kříž, Jaroslav

    2012-01-01

    Roč. 116, č. 14 (2012), s. 4386-4393 ISSN 1520-6106 R&D Projects: GA ČR GA203/09/1478; GA ČR GAP205/11/1657 Institutional research plan: CEZ:AV0Z40500505 Institutional support: RVO:61389013 Keywords : pluronics * hydrophobic interaction * NMR Subject RIV: CD - Macromolecular Chemistry Impact factor: 3.607, year: 2012

  3. Noise in strong laser-atom interactions: Phase telegraph noise

    International Nuclear Information System (INIS)

    Eberly, J.H.; Wodkiewicz, K.; Shore, B.W.

    1984-01-01

    We discuss strong laser-atom interactions that are subjected to jump-type (random telegraph) random-phase noise. Physically, the jumps may arise from laser fluctuations, from collisions of various kinds, or from other external forces. Our discussion is carried out in two stages. First, direct and partially heuristic calculations determine the laser spectrum and also give a third-order differential equation for the average inversion of a two-level atom on resonance. At this stage a number of general features of the interaction are able to be studied easily. The optical analog of motional narrowing, for example, is clearly predicted. Second, we show that the theory of generalized Poisson processes allows laser-atom interactions in the presence of random telegraph noise of all kinds (not only phase noise) to be treated systematically, by means of a master equation first used in the context of quantum optics by Burshtein. We use the Burshtein equation to obtain an exact expression for the two-level atom's steady-state resonance fluorescence spectrum, when the exciting laser exhibits phase telegraph noise. Some comparisons are made with results obtained from other noise models. Detailed treatments of the effects ofmly jumps, or as a model of finite laser bandwidth effects, in which the laser frequency exhibits random jumps. We show that these two types of frequency noise can be distinguished in light-scattering spectra. We also discuss examples which demonstrate both temporal and spectral motional narrowing, nonexponential correlations, and non-Lorentzian spectra. Its exact solubility in finite terms makes the frequency-telegraph noise model an attractive alternative to the white-noise Ornstein-Uhlenbeck frequency noise model which has been previously applied to laser-atom interactions

  4. Towards a unified gauge theory of gravitational and strong interactions

    International Nuclear Information System (INIS)

    Hehl, F.W.; Sijacki, D.

    1980-01-01

    The space-time properties of leptons and hadrons is studied and it is found necessary to extend general relativity to the gauge theory based on the four-dimensional affine group. This group translates and deforms the tetrads of the locally Minkowskian space-time. Its conserved currents, momentum, and hypermomentum, act as sources in the two field equations of gravity. A Lagrangian quadratic in torsion and curvature allows for the propagation of two independent gauge fields: translational e-gravity mediated by the tetrad coefficients, and deformational GAMMA-gravity mediated by the connection coefficients. For macroscopic matter e-gravity coincides with general relativity up to the post-Newtonian approximation of fourth order. For microscopic matter GAMMA-gravity represents a strong Yang-Mills type interaction. In the linear approximation, for a static source, a confinement potential is found. (author)

  5. Extreme states of matter in strong interaction physics an introduction

    CERN Document Server

    Satz, Helmut

    2018-01-01

    This book is a course-tested primer on the thermodynamics of strongly interacting matter – a profound and challenging area of both theoretical and experimental modern physics. Analytical and numerical studies of statistical quantum chromodynamics provide the main theoretical tool, while in experiments, high-energy nuclear collisions are the key for extensive laboratory investigations. As such, the field straddles statistical, particle and nuclear physics, both conceptually and in the methods of investigation used. The book addresses, above all, the many young scientists starting their scientific research in this field, providing them with a general, self-contained introduction that highlights the basic concepts and ideas and explains why we do what we do. Much of the book focuses on equilibrium thermodynamics: first it presents simplified phenomenological pictures, leading to critical behavior in hadronic matter and to a quark-hadron phase transition. This is followed by elements of finite temperature latti...

  6. Ion Motion in a Plasma Interacting with Strong Magnetic Fields

    International Nuclear Information System (INIS)

    Weingarten, A.; Grabowski, C.; Chakrabarti, N.; Maron, Y.; Fruchtmant, A.

    1999-01-01

    The interaction of a plasma with strong magnetic fields takes place in many laboratory experiments and astrophysical plasmas. Applying a strong magnetic field to the plasma may result in plasma displacement, magnetization, or the formation of instabilities. Important phenomena in plasma, such as the energy transport and the momentum balance, take a different form in each case. We study this interaction in a plasma that carries a short-duration (80-ns) current pulse, generating a magnetic field of up to 17 kG. The evolution of the magnetic field, plasma density, ion velocities, and electric fields are determined before and during the current pulse. The dependence of the plasma limiting current on the plasma density and composition are studied and compared to theoretical models based on the different phenomena. When the plasma collisionality is low, three typical velocities should be taken into consideration: the proton and heavier-ion Alfven velocities (v A p and v A h , respectively) and the EMHD magnetic-field penetration velocity into the plasma (v EMHD ). If both Alfven velocities are larger than v EMHD the plasma is pushed ahead of the magnetic piston and the magnetic field energy is dissipated into ion kinetic energy. If v EMHD is the largest of three velocities, the plasma become magnetized and the ions acquire a small axial momentum only. Different ion species may drift in different directions along the current lines. In this case, the magnetic field energy is probably dissipated into electron thermal energy. When vs > V EMHD > vi, as in the case of one of our experiments, ion mass separation occurs. The protons are pushed ahead of the piston while the heavier-ions become magnetized. Since the plasma electrons are unmagnetized they cannot cross the piston, and the heavy ions are probably charge-neutralized by electrons originating from the cathode that are 'born' magnetized

  7. Monoliths from poly(ethylene glycol) diacrylate and dimethacrylate for capillary hydrophobic interaction chromatography of proteins.

    Science.gov (United States)

    Li, Yuanyuan; Tolley, H Dennis; Lee, Milton L

    2010-07-23

    Rigid monoliths were synthesized solely from poly(ethylene glycol) diacrylates (PEGDA) or poly(ethylene glycol) dimethacrylates (PEGDMA) containing different ethylene glycol chain lengths by one-step UV-initiated polymerization. Methanol/ethyl ether and cyclohexanol/decanol were used as bi-porogen mixtures for the PEGDA and PEGDMA monoliths, respectively. Effects of PEG chain length, bi-porogen ratio and reaction temperature on monolith morphology and back pressure were investigated. For tri- and tetra-ethylene glycol diacrylates (i.e., PEGDA 258 and PEGDA 302), most combinations of methanol and ethyl ether were effective in forming monoliths, while for diacrylates containing longer chain lengths (i.e., PEGDA 575 and PEGDA 700), polymerization became more sensitive to the bi-porogen ratio. A similar tendency was also observed for PEGDMA monomers. Polymerization of monoliths was conducted at approximately 0 degrees C and room temperature, which produced significant differences in monolith morphology and permeability. Monoliths prepared from PEGDA 258 were found to provide the best chromatographic performance with respect to peak capacity and resolution in hydrophobic interaction chromatography (HIC). Detailed study of these monoliths demonstrated that chromatographic performance was not affected by changing the ratios of the two porogens, but resulted in almost identical retention times and comparable peak capacities. An optimized PEGDA 258 monolithic column was able to separate proteins using a 20-min elution gradient with a peak capacity of 62. Mass recoveries for test proteins were found to be greater than 90, indicating its excellent biocompatibility. All monoliths demonstrated nearly no swelling or shrinking in different polarity solvents, and most of them could be stored dry, indicating excellent stability due to their highly crosslinked networks. The preparation of these in situ polymerized single-monomer monolithic columns was highly reproducible. The

  8. Interactions between nano-TiO2 and the oral cavity: impact of nanomaterial surface hydrophilicity/hydrophobicity.

    Science.gov (United States)

    Teubl, Birgit J; Schimpel, Christa; Leitinger, Gerd; Bauer, Bettina; Fröhlich, Eleonore; Zimmer, Andreas; Roblegg, Eva

    2015-04-09

    Titanium dioxide (TiO2) nanoparticles are available in a variety of oral applications, such as food additives and cosmetic products. Thus, questions about their potential impact on the oro-gastrointestinal route rise. The oral cavity represents the first portal of entry and is known to rapidly interact with nanoparticles. Surface charge and size contribute actively to the particle-cell interactions, but the influence of surface hydrophilicity/hydrophobicity has never been shown before. This study addresses the biological impact of hydrophilic (NM 103, rutile, 20 nm) and hydrophobic (NM 104, rutile, 20 nm) TiO2 particles within the buccal mucosa. Particle characterization was addressed with dynamic light scattering and laser diffraction. Despite a high agglomeration tendency, 10% of the particles/agglomerates were present in the nanosized range and penetrated into the mucosa, independent of the surface properties. However, significant differences were observed in intracellular particle localization. NM 104 particles were found freely distributed in the cytoplasm, whereas their hydrophobic counterparts were engulfed in vesicular structures. Although cell viability/membrane integrity was not affected negatively, screening assays demonstrated that NM 104 particles showed a higher potential to decrease the physiological mitochondrial membrane potential than NM 103, resulting in a pronounced generation of reactive oxygen species. Copyright © 2015 Elsevier B.V. All rights reserved.

  9. 3DRISM-HI-D2MSA: an improved analytic theory to compute solvent structure around hydrophobic solutes with proper treatment of solute–solvent electrostatic interactions

    KAUST Repository

    Cao, Siqin

    2017-12-22

    The 3D reference interaction site model (3DRISM) is a powerful tool to study the thermodynamic and structural properties of liquids. However, for hydrophobic solutes, the inhomogeneity of the solvent density around them poses a great challenge to the 3DRISM theory. To address this issue, we have previously introduced the hydrophobic-induced density inhomogeneity theory (HI) for purely hydrophobic solutes. To further consider the complex hydrophobic solutes containing partial charges, here we propose the D2MSA closure to incorporate the short-range and long-range interactions with the D2 closure and the mean spherical approximation, respectively. We demonstrate that our new theory can compute the solvent distributions around real hydrophobic solutes in water and complex organic solvents that agree well with the explicit solvent molecular dynamics simulations.

  10. High-energy strong interactions: from `hard' to `soft'

    Science.gov (United States)

    Ryskin, M. G.; Martin, A. D.; Khoze, V. A.

    2011-04-01

    We discuss the qualitative features of the recent data on multiparticle production observed at the LHC. The tolerable agreement with Monte Carlos based on LO DGLAP evolution indicates that there is no qualitative difference between `hard' and `soft' interactions; and that a perturbative QCD approach may be extended into the soft domain. However, in order to describe the data, these Monte Carlos need an additional infrared cutoff k min with a value k min ˜2-3 GeV which is not small, and which increases with collider energy. Here we explain the physical origin of the large k min . Using an alternative model which matches the `soft' high-energy hadron interactions smoothly on to perturbative QCD at small x, we demonstrate that this effective cutoff k min is actually due to the strong absorption of low k t partons. The model embodies the main features of the BFKL approach, including the diffusion in transverse momenta, ln k t , and an intercept consistent with resummed next-to-leading log corrections. Moreover, the model uses a two-channel eikonal framework, and includes the contributions from the multi-Pomeron exchange diagrams, both non-enhanced and enhanced. The values of a small number of physically-motivated parameters are chosen to reproduce the available total, elastic and proton dissociation cross section (pre-LHC) data. Predictions are made for the LHC, and the relevance to ultra-high-energy cosmic rays is briefly discussed. The low x inclusive integrated gluon PDF, and the diffractive gluon PDF, are calculated in this framework, using the parameters which describe the high-energy pp and pbar{p} ` soft' data. Comparison with the PDFs obtained from the global parton analyses of deep inelastic and related hard scattering data and from diffractive deep inelastic data looks encouraging.

  11. Theoretical & Experimental Research in Weak, Electromagnetic & Strong Interactions

    Energy Technology Data Exchange (ETDEWEB)

    Nandi, Satyanarayan [Oklahoma State Univ., Stillwater, OK (United States); Babu, Kaladi [Oklahoma State Univ., Stillwater, OK (United States); Rizatdinova, Flera [Oklahoma State Univ., Stillwater, OK (United States); Khanov, Alexander [Oklahoma State Univ., Stillwater, OK (United States); Haley, Joseph [Oklahoma State Univ., Stillwater, OK (United States)

    2015-09-17

    The conducted research spans a wide range of topics in the theoretical, experimental and phenomenological aspects of elementary particle interactions. Theory projects involve topics in both the energy frontier and the intensity frontier. The experimental research involves energy frontier with the ATLAS Collaboration at the Large Hadron Collider (LHC). In theoretical research, novel ideas going beyond the Standard Model with strong theoretical motivations were proposed, and their experimental tests at the LHC and forthcoming neutrino facilities were outlined. These efforts fall into the following broad categories: (i) TeV scale new physics models for LHC Run 2, including left-right symmetry and trinification symmetry, (ii) unification of elementary particles and forces, including the unification of gauge and Yukawa interactions, (iii) supersummetry and mechanisms of supersymmetry breaking, (iv) superworld without supersymmetry, (v) general models of extra dimensions, (vi) comparing signals of extra dimensions with those of supersymmetry, (vii) models with mirror quarks and mirror leptons at the TeV scale, (viii) models with singlet quarks and singlet Higgs and their implications for Higgs physics at the LHC, (ix) new models for the dark matter of the universe, (x) lepton flavor violation in Higgs decays, (xi) leptogenesis in radiative models of neutrino masses, (xii) light mediator models of non-standard neutrino interactions, (xiii) anomalous muon decay and short baseline neutrino anomalies, (xiv) baryogenesis linked to nucleon decay, and (xv) a new model for recently observed diboson resonance at the LHC and its other phenomenological implications. The experimental High Energy Physics group has been, and continues to be, a successful and productive contributor to the ATLAS experiment at the LHC. Members of the group performed search for gluinos decaying to stop and top quarks, new heavy gauge bosons decaying to top and bottom quarks, and vector-like quarks

  12. Peptide-microgel interactions in the strong coupling regime.

    Science.gov (United States)

    Hansson, Per; Bysell, Helena; Månsson, Ronja; Malmsten, Martin

    2012-09-06

    The interaction between lightly cross-linked poly(acrylic acid) microgels and oppositely charged peptides was investigated as a function of peptide length, charge density, pH, and salt concentration, with emphasis on the strong coupling regime at high charge contrast. By micromanipulator-assisted light microscopy, the equilibrium volume response of single microgel particles upon oligolysine and oligo(lysine/alanine) absorption could be monitored in a controlled fashion. Results show that microgel deswelling, caused by peptide binding and network neutralization, increases with peptide length (3 attraction between the network chains is described using an exponential force law, and the network elasticity by the inverse Langevin theory. The model was used to calculate the composition of microgels in contact with reservoir solutions of peptides and simple electrolytes. At high electrostatic coupling, the calculated swelling curves were found to display first-order phase transition behavior. The model was demonstrated to capture pH- and electrolyte-dependent microgel swelling, as well as effects of peptide length and charge density on microgel deswelling. The analysis demonstrated that the peptide charge (length), rather than the peptide charge density, determines microgel deswelling. Furthermore, a transition between continuous and discrete network collapse was identified, consistent with experimental results in the present investigations, as well as with results from the literature on microgel deswelling caused by multivalent cations.

  13. Microbial interactions with naturally occurring hydrophobic sediments: Influence on sediment and associated contaminant mobility.

    Science.gov (United States)

    Droppo, I G; Krishnappan, B G; Lawrence, J R

    2016-04-01

    The erosion, transport and fate of sediments and associated contaminants are known to be influenced by both particle characteristics and the flow dynamics imparted onto the sediment. The influential role of bitumen containing hydrophobic sediments and the microbial community on sediment dynamics are however less understood. This study links an experimental evaluation of sediment erosion with measured sediment-associated contaminant concentrations and microbial community analysis to provide an estimate of the potential for sediment to control the erosion, transport and fate of contaminants. Specifically the paper addresses the unique behaviour of hydrophobic sediments and the role that the microbial community associated with hydrophobic sediment may play in the transport of contaminated sediment. Results demonstrate that the hydrophobic cohesive sediment demonstrates unique transport and particle characteristics (poor settling and small floc size). Biofilms were observed to increase with consolidation/biostabilization times and generated a unique microbial consortium relative to the eroded flocs. Natural oil associated with the flocs appeared to be preferentially associated with microbial derived extracellular polymeric substances. While PAHs and naphthenic acid increased with increasing shear (indicative of increasing loads), they tended to decrease with consolidation/biostabilization (CB) time at similar shears suggesting a chemical and/or biological degradation. PAH and napthenic acid degrading microbes decreased with time as well, which may suggest that there was a reduced pool of PAHs and naphthenic acids available resulting in their die off. This study emphasizes the importance that any management strategies and operational assessments for the protection of human and aquatic health incorporate the sediment (suspended and bed sediment) and biological (biofilm) compartments and the energy dynamics within the system in order to better predict contaminant

  14. A model of protein association based on their hydrophobic and electric interactions.

    Directory of Open Access Journals (Sweden)

    Angel Mozo-Villarías

    Full Text Available The propensity of many proteins to oligomerize and associate to form complex structures from their constituent monomers, is analyzed in terms of their hydrophobic (H, and electric pseudo-dipole (D moment vectors. In both cases these vectors are defined as the product of the distance between their positive and negative centroids, times the total hydrophobicity or total positive charge of the protein. Changes in the magnitudes and directions of H and D are studied as monomers associate to form larger complexes. We use these descriptors to study similarities and differences in two groups of associations: a open associations such as polymers with an undefined number of monomers (i.e. actin polymerization, amyloid and HIV capsid assemblies; b closed symmetrical associations of finite size, like spherical virus capsids and protein cages. The tendency of the hydrophobic moments of the monomers in an association is to align in parallel arrangements following a pattern similar to those of phospholipids in a membrane. Conversely, electric dipole moments of monomers tend to align in antiparallel associations. The final conformation of a given assembly is a fine-tuned combination of these forces, limited by steric constraints. This determines whether the association will be open (indetermined number of monomers or closed (fixed number of monomers. Any kinetic, binding or molecular peculiarities that characterize a protein assembly, comply with the vector rules laid down in this paper. These findings are also independent of protein size and shape.

  15. A Hydrophobic Pocket in the Active Site of Glycolytic Aldolase Mediates Interactions with Wiskott-Aldrich Syndrome Protein

    Energy Technology Data Exchange (ETDEWEB)

    St-Jean,M.; Izard, T.; Sygusch, J.

    2007-01-01

    Aldolase plays essential catalytic roles in glycolysis and gluconeogenesis. However, aldolase is a highly abundant protein that is remarkably promiscuous in its interactions with other cellular proteins. In particular, aldolase binds to highly acidic amino acid sequences, including the C-terminus of the Wiskott-Aldrich syndrome protein, an actin nucleation promoting factor. Here we report the crystal structure of tetrameric rabbit muscle aldolase in complex with a C-terminal peptide of Wiskott-Aldrich syndrome protein. Aldolase recognizes a short, 4-residue DEWD motif (residues 498-501), which adopts a loose hairpin turn that folds about the central aromatic residue, enabling its tryptophan side chain to fit into a hydrophobic pocket in the active site of aldolase. The flanking acidic residues in this binding motif provide further interactions with conserved aldolase active site residues, Arg-42 and Arg-303, aligning their side chains and forming the sides of the hydrophobic pocket. The binding of Wiskott-Aldrich syndrome protein to aldolase precludes intramolecular interactions of its C-terminus with its active site, and is competitive with substrate as well as with binding by actin and cortactin. Finally, based on this structure a novel naphthol phosphate-based inhibitor of aldolase was identified and its structure in complex with aldolase demonstrated mimicry of the Wiskott-Aldrich syndrome protein-aldolase interaction. The data support a model whereby aldolase exists in distinct forms that regulate glycolysis or actin dynamics.

  16. Effective Field Theories and Strong Interactions. Final Technical Report

    International Nuclear Information System (INIS)

    Fleming, Sean

    2011-01-01

    The framework of Effective Field Theories (EFTs) allows us to describe strong interactions in terms of degrees of freedom relevant to the energy regimes of interest, in the most general way consistent with the symmetries of QCD. Observables are expanded systematically in powers of M lo /M hi , where M lo (M hi ) denotes a low-(high-)energy scale. This organizational principle is referred to as 'power counting'. Terms of increasing powers in the expansion parameter are referred to as leading order (LO), next-to-leading order (NLO), etc. Details of the QCD dynamics not included explicitly are encoded in interaction parameters, or 'low-energy constants' (LECs), which can in principle be calculated from an explicit solution of QCD - for example via lattice simulations- but can also be determined directly from experimental data. QCD has an intrinsic scale M QCD ≅ 1 GeV, at which the QCD coupling constant α s (M QCD ) becomes large and the dynamics becomes non-perturbative. As a consequence M QCD sets the scale for the masses of most hadrons, such as the nucleon mass m N ≅ 940 MeV. EFTs can roughly be divided into two categories: those that can be matched onto QCD in perturbation theory, which we call high-energy EFTs, and those that cannot be matched perturbatively, which we call low-energy EFTs. In high-energy EFTs, M QCD typically sets the low-energy scale, and all the dynamics associated with this scale reside in matrix elements of EFT operators. These non-perturbative matrix elements are the LECs and are also referred to as long-distance contributions. Each matrix element is multiplied by a short-distance coefficient, which contains the dynamics from the high scale M hi . Since M hi >> M QCD , α s (M hi ) hi ∼ M Q , the heavy-quark mass, and in addition to M QCD there are low scales associated with the typical relative momentum ∼ M Q v and energy ∼ M Q v 2 of the heavy quarks. Depending on the sizes of M Q and the heavy-quark velocity v these scales can

  17. Strongly interacting matter at high densities with a soliton model

    Science.gov (United States)

    Johnson, Charles Webster

    1998-12-01

    One of the major goals of modern nuclear physics is to explore the phase diagram of strongly interacting matter. The study of these 'extreme' conditions is the primary motivation for the construction of the Relativistic Heavy Ion Collider (RHIC) at Brookhaven National Laboratory which will accelerate nuclei to a center of mass (c.m.) energy of about 200 GeV/nucleon. From a theoretical perspective, a test of quantum chromodynamics (QCD) requires the expansion of the conditions examined from one phase point to the entire phase diagram of strongly-interacting matter. In the present work we focus attention on what happens when the density is increased, at low excitation energies. Experimental results from the Brookhaven Alternating Gradient Synchrotron (AGS) indicate that this regime may be tested in the 'full stopping' (maximum energy deposition) scenario achieved at the AGS having a c.m. collision energy of about 2.5 GeV/nucleon for two equal- mass heavy nuclei. Since the solution of QCD on nuclear length-scales is computationally prohibitive even on today's most powerful computers, progress in the theoretical description of high densities has come through the application of models incorporating some of the essential features of the full theory. The simplest such model is the MIT bag model. We use a significantly more sophisticated model, a nonlocal confining soliton model developed in part at Kent. This model has proven its value in the calculation of the properties of individual mesons and nucleons. In the present application, the many-soliton problem is addressed with the same model. We describe nuclear matter as a lattice of solitons and apply the Wigner-Seitz approximation to the lattice. This means that we consider spherical cells with one soliton centered in each, corresponding to the average properties of the lattice. The average density is then varied by changing the size of the Wigner-Seitz cell. To arrive at a solution, we need to solve a coupled set of

  18. Interaction effects in a microscopic quantum wire model with strong spin-orbit interaction

    Science.gov (United States)

    Winkler, G. W.; Ganahl, M.; Schuricht, D.; Evertz, H. G.; Andergassen, S.

    2017-06-01

    We investigate the effect of strong interactions on the spectral properties of quantum wires with strong Rashba spin-orbit (SO) interaction in a magnetic field, using a combination of matrix product state and bosonization techniques. Quantum wires with strong Rashba SO interaction and magnetic field exhibit a partial gap in one-half of the conducting modes. Such systems have attracted wide-spread experimental and theoretical attention due to their unusual physical properties, among which are spin-dependent transport, or a topological superconducting phase when under the proximity effect of an s-wave superconductor. As a microscopic model for the quantum wire we study an extended Hubbard model with SO interaction and Zeeman field. We obtain spin resolved spectral densities from the real-time evolution of excitations, and calculate the phase diagram. We find that interactions increase the pseudo gap at k = 0 and thus also enhance the Majorana-supporting phase and stabilize the helical spin order. Furthermore, we calculate the optical conductivity and compare it with the low energy spiral Luttinger liquid result, obtained from field theoretical calculations. With interactions, the optical conductivity is dominated by an excotic excitation of a bound soliton-antisoliton pair known as a breather state. We visualize the oscillating motion of the breather state, which could provide the route to their experimental detection in e.g. cold atom experiments.

  19. Combined effects of potassium chloride and ethanol as mobile phase modulators on hydrophobic interaction and reversed-phase chromatography of three insulin variants.

    Science.gov (United States)

    Johansson, Karolina; Frederiksen, Søren S; Degerman, Marcus; Breil, Martin P; Mollerup, Jørgen M; Nilsson, Bernt

    2015-02-13

    The two main chromatographic modes based on hydrophobicity, hydrophobic interaction chromatography (HIC) and reversed-phase chromatography (RPC), are widely used for both analytical and preparative chromatography of proteins in the pharmaceutical industry. Despite the extensive application of these separation methods, and the vast amount of studies performed on HIC and RPC over the decades, the underlying phenomena remain elusive. As part of a systematic study of the influence of mobile phase modulators in hydrophobicity-based chromatography, we have investigated the effects of both KCl and ethanol on the retention of three insulin variants on two HIC adsorbents and two RPC adsorbents. The focus was on the linear adsorption range, separating the modulator effects from the capacity effects, but some complementary experiments at higher load were included to further investigate observed phenomena. The results show that the modulators have the same effect on the two RPC adsorbents in the linear range, indicating that the modulator concentration only affects the activity of the solute in the mobile phase, and not that of the solute-ligand complex, or that of the ligand. Unfortunately, the HIC adsorbents did not show the same behavior. However, the insulin variants displayed a strong tendency toward self-association on both HIC adsorbents; on one in particular. Since this causes peak fronting, the retention is affected, and this could probably explain the lack of congruity. This conclusion was supported by the results from the non-linear range experiments which were indicative of double-layer adsorption on the HIC adsorbents, while the RPC adsorbents gave the anticipated increased tailing at higher load. Copyright © 2015 Elsevier B.V. All rights reserved.

  20. Interaction between a hydrophobic rigid face and a flexible alkyl tail: Thermodynamics of self-assembling of sodium cholate and SDS

    International Nuclear Information System (INIS)

    Bai, Guangyue; Sheng, Jianhui; Wang, Yujie; Wu, Hui; Zhao, Yang; Zhuo, Kelei; Bastos, Margarida

    2016-01-01

    Highlights: • Critical concentrations and enthalpy changes for stepwise aggregation are obtained by ITC. • ITC allowed the thermodynamic characterization for NaCA/SDS self-assembling. • Steroid face-to-alkyl chain hydrophobic interaction tends to be saturated at molar ratio 1:1.5. • Alkyl-steroid interaction favors micellization of NaCA/SDS and the mixture shows nonideal behavior. • Intermolecular interaction and excess enthalpies were discussed according to Rubingh’s model. - Abstract: The thermodynamics of molecular self-assembling of an anionic biosurfactant, sodium cholate (NaCA) and its mixtures with sodium dodecyl sulfate (SDS) in aqueous solution have been investigated by isothermal titration calorimetry (ITC), along with fluorescence and conductivity measurements. Different critical concentrations were obtained by these three techniques – critical pre-micelle concentration (cmc pre ) and critical micelle concentration (cmc) for pure NaCA, and critical micelle concentrations (cmc mix ) for the mixed systems with differently initial SDS concentrations. Importantly, ITC allowed us to directly measure the enthalpy changes of pre-micelle formation (ΔH premic = (−0.28 ± 0.02) kJ·mol −1 ) and of micelle formation (ΔH mic = (−1.76 ± 0.05) kJ·mol −1 ) for pure NaCA as well as the enthalpies for micellization for the mixed systems NaCA/SDS. The non-ideality of the mixed surfactant solution was evaluated in terms of interaction parameters and excess enthalpies that were calculated in the light of Clint’s and Rubingh’s models. It was found that there is an obvious synergistic effect in the NaCA/SDS mixed system. From all these results we can ascribe the strong interaction between the same charge surfactants NaCA and SDS to the structural difference in their hydrophobic moieties. In fact, the flexible alkyl chains of SDS and the non-planar hydrophobic β-faces of NaCA tend to have a more compact packing than pure NaCA.

  1. The colours of strong interaction; L`interaction forte sous toutes ses couleurs

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1995-12-31

    The aim of this session is to draw a consistent framework about the different ways to consider strong interaction. A large part is dedicated to theoretical work and the latest experimental results obtained at the first electron collider HERA are discussed. (A.C.)

  2. Key aromatic/hydrophobic amino acids controlling a cross-amyloid peptide interaction versus amyloid self-assembly.

    Science.gov (United States)

    Bakou, Maria; Hille, Kathleen; Kracklauer, Michael; Spanopoulou, Anna; Frost, Christina V; Malideli, Eleni; Yan, Li-Mei; Caporale, Andrea; Zacharias, Martin; Kapurniotu, Aphrodite

    2017-09-01

    The interaction of the intrinsically disordered polypeptide islet amyloid polypeptide (IAPP), which is associated with type 2 diabetes (T2D), with the Alzheimer's disease amyloid-β (Aβ) peptide modulates their self-assembly into amyloid fibrils and may link the pathogeneses of these two cell-degenerative diseases. However, the molecular determinants of this interaction remain elusive. Using a systematic alanine scan approach, fluorescence spectroscopy, and other biophysical methods, including heterocomplex pulldown assays, far-UV CD spectroscopy, the thioflavin T binding assay, transmission EM, and molecular dynamics simulations, here we identified single aromatic/hydrophobic residues within the amyloid core IAPP region as hot spots or key residues of its cross-interaction with Aβ40(42) peptide. Importantly, we also find that none of these residues in isolation plays a key role in IAPP self-assembly, whereas simultaneous substitution of four aromatic/hydrophobic residues with Ala dramatically impairs both IAPP self-assembly and hetero-assembly with Aβ40(42). Furthermore, our experiments yielded several novel IAPP analogs, whose sequences are highly similar to that of IAPP but have distinct amyloid self- or cross-interaction potentials. The identified similarities and major differences controlling IAPP cross-peptide interaction with Aβ40(42) versus its amyloid self-assembly offer a molecular basis for understanding the underlying mechanisms. We propose that these insights will aid in designing intervention strategies and novel IAPP analogs for the management of type 2 diabetes, Alzheimer's disease, or other diseases related to IAPP dysfunction or cross-amyloid interactions. © 2017 by The American Society for Biochemistry and Molecular Biology, Inc.

  3. Simple Physics-Based Analytical Formulas for the Potentials of Mean Force of the Interaction of Amino Acid Side Chains in Water. VII. Charged-Hydrophobic/Polar and Polar-Hydrophobic/Polar Side Chains.

    Science.gov (United States)

    Makowski, Mariusz; Liwo, Adam; Scheraga, Harold A

    2017-01-19

    The physics-based potentials of side-chain-side-chain interactions corresponding to pairs composed of charged and polar, polar and polar, charged and hydrophobic, and hydrophobic and hydrophobic side chains have been determined. A total of 144 four-dimensional potentials of mean force (PMFs) of all possible pairs of molecules modeling these pairs were determined by umbrella-sampling molecular dynamics simulations in explicit water as functions of distance and orientation, and the analytical expressions were then fitted to the PMFs. Depending on the type of interacting sites, the analytical approximation to the PMF is a sum of terms corresponding to van der Waals interactions and cavity-creation involving the nonpolar sections of the side chains and van der Waals, cavity-creation, and electrostatic (charge-dipole or dipole-dipole) interaction energies and polarization energies involving the charged or polar sections of the side chains. The model used in this work reproduces all features of the interacting pairs. The UNited RESidue force field with the new side-chain-side-chain interaction potentials was preliminarily tested with the N-terminal part of the B-domain of staphylococcal protein A (PDBL 1BDD ; a three-α-helix bundle) and UPF0291 protein YnzC from Bacillus subtilis (PDB: 2HEP ; an α-helical hairpin).

  4. Interaction of neutral particles with strong laser fields

    Energy Technology Data Exchange (ETDEWEB)

    Meuren, Sebastian; Keitel, Christoph H.; Di Piazza, Antonino [Max-Planck-Institut fuer Kernphysik, Saupfercheckweg 1, D-69117 Heidelberg (Germany)

    2013-07-01

    Since the invention of the laser in the 1960s the experimentally available field strengths have continuously increased. The current peak intensity record is 2 x 10{sup 22} W/cm{sup 2} and next generation facilities such as ELI, HiPER and XCELS plan to reach even intensities of the order of 10{sup 24} W/cm{sup 2}. Thus, modern laser facilities are a clean source for very strong external electromagnetic fields and promise new and interesting high-energy physics experiments. In particular, strong laser fields could be used to test non-linear effects in quantum field theory. Earlier we have investigated how radiative corrections modify the coupling of a charged particle inside a strong plane-wave electromagnetic background field. However, a charged particle couples already at tree level to electromagnetic radiation. Therefore, we have now analyzed how the coupling between neutral particles and radiation is affected by a very strong plane-wave electromagnetic background field, when loop corrections are taken into account. In particular, the case of neutrinos is discussed.

  5. Intensities and strong interaction attenuation of kaonic x-rays

    CERN Document Server

    Backenstoss, Gerhard; Koch, H; Povel, H P; Schwitter, A; Tauscher, Ludwig

    1974-01-01

    Relative intensities of numerous kaonic X-ray transitions have been measured for the elements C, P, S, and Cl, from which level widths due to the strong K-nucleus absorption have been determined. From these and earlier published data, optical potential parameters have been derived and possible consequences on the nuclear matter distribution are discussed. (10 refs).

  6. The Non-Specific Binding of Fluorescent-Labeled MiRNAs on Cell Surface by Hydrophobic Interaction.

    Directory of Open Access Journals (Sweden)

    Ting Lu

    Full Text Available MicroRNAs are small noncoding RNAs about 22 nt long that play key roles in almost all biological processes and diseases. The fluorescent labeling and lipofection are two common methods for changing the levels and locating the position of cellular miRNAs. Despite many studies about the mechanism of DNA/RNA lipofection, little is known about the characteristics, mechanisms and specificity of lipofection of fluorescent-labeled miRNAs.Therefore, miRNAs labeled with different fluorescent dyes were transfected into adherent and suspension cells using lipofection reagent. Then, the non-specific binding and its mechanism were investigated by flow cytometer and laser confocal microscopy. The results showed that miRNAs labeled with Cy5 (cyanine fluorescent dye could firmly bind to the surface of adherent cells (Hela and suspended cells (K562 even without lipofection reagent. The binding of miRNAs labeled with FAM (carboxyl fluorescein to K562 cells was obvious, but it was not significant in Hela cells. After lipofectamine reagent was added, most of the fluorescently labeled miRNAs binding to the surface of Hela cells were transfected into intra-cell because of the high transfection efficiency, however, most of them were still binding to the surface of K562 cells. Moreover, the high-salt buffer which could destroy the electrostatic interactions did not affect the above-mentioned non-specific binding, but the organic solvent which could destroy the hydrophobic interactions eliminated it.These results implied that the fluorescent-labeled miRNAs could non-specifically bind to the cell surface by hydrophobic interaction. It would lead to significant errors in the estimation of transfection efficiency only according to the cellular fluorescence intensity. Therefore, other methods to evaluate the transfection efficiency and more appropriate fluorescent dyes should be used according to the cell types for the accuracy of results.

  7. Dynamical fermion mass generation by a strong Yukawa interaction

    Czech Academy of Sciences Publication Activity Database

    Brauner, Tomáš; Hošek, Jiří

    2005-01-01

    Roč. 72, č. 4 (2005), 045007 ISSN 0556-2821 R&D Projects: GA MŠk LA 080; GA ČR(CZ) GD202/05/H003 Institutional research plan: CEZ:AV0Z10480505 Keywords : dynamical mass generation * Yukawa interaction Subject RIV: BF - Elementary Particles and High Energy Physics Impact factor: 4.852, year: 2005

  8. Gauge theories of weak, electromagnetic and strong interactions

    International Nuclear Information System (INIS)

    Boehm, M.; Joos, H.

    1978-05-01

    This 10 lectures are devided into the chapters: Phenomenological basis of the quantum chromodynamics, phenomenology of weak interactions, quantum electrodynamics and gauge invariance, from the fermimodel to the quantum flavor dynamics, on the quantum theory of yang-mills-fields, spontaneous symmetry breaking - the Higgs-Kibble-mechanism, the Salam-Weinberg-model, asymptotic freedom, quark confinement and charmonium. (WL) [de

  9. Physics Performance Report for PANDA : Strong Interaction Studies with Antiprotons

    NARCIS (Netherlands)

    Erni, W.; Keshelashvili, I.; Krusche, B.; Steinacher, M.; Heng, Y.; Liu, Z.; Liu, H.; Shen, X.; Wang, O.; Xu, H.; Becker, J.; Feldbauer, F.; Heinsius, F. -H.; Held, T.; Koch, H.; Kopf, B.; Pelizaeus, M.; Schroeder, T.; Steinke, M.; Wiedner, U.; Zhong, J.; Bianconi, A.; Bragadireanu, M.; Pantea, D.; Tudorache, A.; Tudorache, V.; De Napoli, M.; Giacoppo, F.; Raciti, G.; Rapisarda, E.; Sfienti, C.; Bialkowski, E.; Budzanowski, A.; Czech, B.; Kistryn, M.; Kliczewski, S.; Kozela, A.; Kulessa, P.; Pysz, K.; Schaefer, W.; Siudak, R.; Szczurek, A.; Czy. zycki, W.; Domagala, M.; Hawryluk, M.; Lisowski, E.; Lisowski, F.; Wojnar, L.; Gil, D.; Hawranek, P.; Kamys, B.; Kistryn, St.; Korcyl, K.; Krzemien, W.; Magiera, A.; Moskal, P.; Rudy, Z.; Salabura, P.; Smyrski, J.; Wronska, A.; Al-Turany, M.; Augustin, I.; Deppe, H.; Flemming, H.; Gerl, J.; Goetzen, K.; Hohler, R.; Lehmann, D.; Lewandowski, B.; Luehning, J.; Maas, F.; Mishra, D.; Orth, H.; Peters, K.; Saito, T.; Schepers, G.; Schmidt, C. J.; Schmitt, L.; Schwarz, C.; Voss, B.; Wieczorek, P.; Wilms, A.; Brinkmann, K. -T.; Freiesleben, H.; Jaekel, R.; Kliemt, R.; Wuerschig, T.; Zaunick, H. -G.; Abazov, V. M.; Alexeev, G.; Arefiev, A.; Astakhov, V. I.; Barabanov, M. Yu.; Batyunya, B. V.; Davydov, Yu. I.; Dodokhov, V. Kh.; Efremov, A. A.; Fedunov, A. G.; Feshchenko, A. A.; Galoyan, A. S.; Grigoryan, S.; Karmokov, A.; Koshurnikov, E. K.; Kudaev, V. Ch.; Lobanov, V. I.; Lobanov, Yu. Yu.; Makarov, A. F.; Malinina, L. V.; Malyshev, V. L.; Mustafaev, G. A.; Olshevski, A.; . Pasyuk, M. A.; Perevalova, E. A.; Piskun, A. A.; Pocheptsov, T. A.; Pontecorvo, G.; Rodionov, V. K.; Rogov, Yu. N.; Salmin, R. A.; Samartsev, A. G.; Sapozhnikov, M. G.; Shabratova, A.; Shabratova, G. S.; Skachkova, A. N.; Skachkov, N. B.; Strokovsky, E. A.; Suleimanov, M. K.; Teshev, R. Sh.; Tokmenin, V. V.; Uzhinsky, V. V.; Vodopianov, A. S.; Zaporozhets, S. A.; Zhuravlev, N. I.; Zorin, A. G.; Branford, D.; Foehl, K.; Glazier, D.; Watts, D.; Woods, P.; Eyrich, W.; Lehmann, A.; Teufel, A.; Dobbs, S.; Metreveli, Z.; Seth, K.; Tann, B.; Tomaradze, A.; Bettoni, D.; Carassiti, V.; Cecchi, A.; Dalpiaz, P.; Fioravanti, E.; Garzia, I.; Negrini, M.; Savri`e, M.; Stancari, G.; Dulach, B.; Gianotti, P.; Guaraldo, C.; Lucherini, V.; Pace, E.; Bersani, A.; Macri, M.; Marinelli, M.; Parodi, R. F.; Brodski, I.; Doering, W.; Drexler, P.; Dueren, M.; Gagyi-Palffy, Z.; Hayrapetyan, A.; Kotulla, M.; Kuehn, W.; Lange, S.; Liu, M.; Metag, V.; Nanova, M.; Novotny, R.; Salz, C.; Schneider, J.; Schoenmeier, P.; Schubert, R.; Spataro, S.; Stenzel, H.; Strackbein, C.; Thiel, M.; Thoering, U.; Yang, S.; Clarkson, T.; Cowie, E.; Downie, E.; Hill, G.; Hoek, M.; Ireland, D.; Kaiser, R.; Keri, T.; Lehmann, I.; Livingston, K.; Lumsden, S.; MacGregor, D.; McKinnon, B.; Murray, M.; Protopopescu, D.; Rosner, G.; Seitz, B.; Yang, G.; Babai, M.; Biegun, A. K.; Bubak, A.; Guliyev, E.; Suyam Jothi, Vanniarajan; Kavatsyuk, M.; Loehner, H.; Messchendorp, J.; Smit, H.; van der Weele, J. C.; Garcia, F.; Riska, D. -O.; Buescher, M.; Dosdall, R.; Dzhygadlo, R.; Gillitzer, A.; Grunwald, D.; Jha, V.; Kemmerling, G.; Kleines, H.; Lehrach, A.; Maier, R.; Mertens, M.; Ohm, H.; Prasuhn, D.; Randriamalala, T.; Ritman, J.; Roeder, M.; Stockmanns, T.; Wintz, P.; Wuestner, P.; Kisiel, J.; Li, S.; Li, Z.; Sun, Z.; Xu, H.; Fissum, S.; Hansen, K.; Isaksson, L.; Lundin, M.; Schroeder, B.; Achenbach, P.; Mora Espi, M. C.; Pochodzalla, J.; Sanchez, S.; Sanchez-Lorente, A.; Dormenev, V. I.; Fedorov, A. A.; Korzhik, M. V.; Missevitch, O. V.; Balanutsa, V.; Chernetsky, V.; Demekhin, A.; Dolgolenko, A.; Fedorets, P.; Gerasimov, A.; Goryachev, V.; Boukharov, A.; Malyshev, O.; Marishev, I.; Semenov, A.; Hoeppner, C.; Ketzer, B.; Konorov, I.; Mann, A.; Neubert, S.; Paul, S.; Weitzel, Q.; Khoukaz, A.; Rausmann, T.; Taeschner, A.; Wessels, J.; Varma, R.; Baldin, E.; Kotov, K.; Peleganchuk, S.; Tikhonov, Yu.; Boucher, J.; Hennino, T.; Kunne, R.; Ong, S.; Pouthas, J.; Ramstein, B.; Rosier, P.; Sudol, M.; Van de Wiele, J.; Zerguerras, T.; Dmowski, K.; Korzeniewski, R.; Przemyslaw, D.; Slowinski, B.; Boca, G.; Braghieri, A.; Costanza, S.; Fontana, A.; Genova, P.; Lavezzi, L.; Montagna, P.; Rotondi, A.; Belikov, N. I.; Davidenko, A. M.; Derevschikov, A. A.; Goncharenko, Y. M.; Grishin, V. N.; Kachanov, V. A.; Konstantinov, D. A.; Kormilitsin, V. A.; Kravtsov, V. I.; Matulenko, Y. A.; Melnik, Y. M.; Meschanin, A. P.; Minaev, N. G.; Mochalov, V. V.; Morozov, D. A.; Nogach, L. V.; Nurushev, S. B.; Ryazantsev, A. V.; Semenov, P. A.; Soloviev, L. F.; Uzunian, A. V.; Vasiliev, A. N.; Yakutin, A. E.; Baeck, T.; Cederwall, B.; Bargholtz, C.; Geren, L.; Tegner, P. E.; Belostotski, S.; Gavrilov, G.; Itzotov, A.; Kisselev, A.; Kravchenko, P.; Manaenkov, S.; Miklukho, O.; Naryshkin, Y.; Veretennikov, D.; Vikhrov, V.; Zhadanov, A.; Fava, L.; Panzieri, D.; Alberto, D.; Amoroso, A.; Botta, E.; Bressani, T.; Bufalino, S.; Bussa, M. P.; Busso, L.; De Mori, F.; Destefanis, M.; Ferrero, L.; Grasso, A.; Greco, M.; Kugathasan, T.; Maggiora, M.; Marcello, S.; Serbanut, G.; Sosio, S.; Bertini, R.; Calvo, D.; Coli, S.; De Remigis, P.; Feliciello, A.; Filippi, A.; Giraudo, G.; Mazza, G.; Rivetti, A.; Szymanska, K.; Tosello, F.; Wheadon, R.; Morra, O.; Agnello, M.; Iazzi, F.; Szymanska, K.; Birsa, R.; Bradamante, F.; Bressan, A.; Martin, A.; Clement, H.; Ekstroem, C.; Calen, H.; Grape, S.; Hoeistad, B.; Johansson, T.; Kupsc, A.; Marciniewski, P.; Thome, E.; Zlomanczuk, J.; Diaz, J.; Ortiz, A.; Borsuk, S.; Chlopik, A.; Guzik, Z.; Kopec, J.; Kozlowski, T.; Melnychuk, D.; Plominski, M.; Szewinski, J.; Traczyk, K.; Zwieglinski, B.; Buehler, P.; Gruber, A.; Kienle, P.; Marton, J.; Widmann, E.; Zmeskal, J.; Lutz, M. F. M.; Pire, B.; Scholten, O.; Timmermans, R.

    To study fundamental questions of hadron and nuclear physics in interactions of antiprotons with nucleons and nuclei, the universal PANDA detector will be built. Gluonic excitations, the physics of strange and charm quarks and nucleon structure studies will be performed with unprecedented accuracy

  10. Coulomb plus strong interaction bound states - momentum space numerical solutions

    International Nuclear Information System (INIS)

    Heddle, D.P.; Tabakin, F.

    1985-01-01

    The levels and widths of hadronic atoms are calculated in momentum space using an inverse algorithm for the eigenvalue problem. The Coulomb singularity is handled by the Lande substraction method. Relativistic, nonlocal, complex hadron-nucleus interactions are incorporated as well as vacuum polarization and finite size effects. Coordinate space wavefunctions are obtained by employing a Fourier Bessel transformation. (orig.)

  11. Quantum memory with strong and controllable Rydberg-level interactions.

    Science.gov (United States)

    Li, Lin; Kuzmich, A

    2016-11-21

    Realization of distributed quantum systems requires fast generation and long-term storage of quantum states. Ground atomic states enable memories with storage times in the range of a minute, however their relatively weak interactions do not allow fast creation of non-classical collective states. Rydberg atomic systems feature fast preparation of singly excited collective states and their efficient mapping into light, but storage times in these approaches have not yet exceeded a few microseconds. Here we demonstrate a system that combines fast quantum state generation and long-term storage. An initially prepared coherent state of an atomic memory is transformed into a non-classical collective atomic state by Rydberg-level interactions in less than a microsecond. By sheltering the quantum state in the ground atomic levels, the storage time is increased by almost two orders of magnitude. This advance opens a door to a number of quantum protocols for scalable generation and distribution of entanglement.

  12. Hadron yields and the phase diagram of strongly interacting matter

    CERN Document Server

    Floris, Michele

    2014-01-01

    This paper presents a brief review of the interpretation of measurements of hadron yields in hadronic interactions within the framework of thermal models, over a broad energy range (from SIS to LHC energies, $\\sqrt{s_{NN}} \\simeq$ 2.5 GeV -- 5 TeV). Recent experimental results and theoretical developments are reported, with an emphasis on topics discussed during the Quark Matter 2014 conference.

  13. Theoretical studies in weak, electromagnetic and strong interactions. Attachments

    International Nuclear Information System (INIS)

    Nandi, S.

    1999-01-01

    The project covered a wide area of current research in theoretical high-energy physics. This included Standard Model (SM) as well as physics beyond the Standard Model. Specific topics included supersymmetry (SUSY), perturbative quantum chromodynamics (QCD), a new weak interaction for the third family (called topflavor), neutrino masses and mixings, topcolor model, Pade approximation, and its application to perturbative QCD and other physical processes

  14. Epitope mapping of imidazolium cations in ionic liquid-protein interactions unveils the balance between hydrophobicity and electrostatics towards protein destabilisation.

    Science.gov (United States)

    Silva, Micael; Figueiredo, Angelo Miguel; Cabrita, Eurico J

    2014-11-14

    We investigated imidazolium-based ionic liquid (IL) interactions with human serum albumin (HSA) to discern the level of cation interactions towards protein stability. STD-NMR spectroscopy was used to observe the imidazolium IL protons involved in direct binding and to identify the interactions responsible for changes in Tm as accessed by differential scanning calorimetry (DSC). Cations influence protein stability less than anions but still significantly. It was found that longer alkyl side chains of imidazolium-based ILs (more hydrophobic) are associated with a higher destabilisation effect on HSA than short-alkyl groups (less hydrophobic). The reason for such destabilisation lies on the increased surface contact area of the cation with the protein, particularly on the hydrophobic contacts promoted by the terminus of the alkyl chain. The relevance of the hydrophobic contacts is clearly demonstrated by the introduction of a polar moiety in the alkyl chain: a methoxy or alcohol group. Such structural modification reduces the degree of hydrophobic contacts with HSA explaining the lesser extent of protein destabilisation when compared to longer alkyl side chain groups: above [C2mim](+). Competition STD-NMR experiments using [C2mim](+), [C4mim](+) and [C2OHmim](+) also validate the importance of the hydrophobic interactions. The combined effect of cation and anion interactions was explored using (35)Cl NMR. Such experiments show that the nature of the cation has no influence on the anion-protein contacts, still the nature of the anion modulates the cation-protein interaction. Herein we propose that more destabilising anions are likely to be a result of a partial contribution from the cation as a direct consequence of the different levels of interaction (cation-anion pair and cation-protein).

  15. Interaction of bovine serum albumin with N-acyl amino acid based anionic surfactants: Effect of head-group hydrophobicity.

    Science.gov (United States)

    Ghosh, Subhajit; Dey, Joykrishna

    2015-11-15

    The function of a protein depends upon its structure and surfactant molecules are known to alter protein structure. For this reason protein-surfactant interaction is important in biological, pharmaceutical, and cosmetic industries. In the present work, interactions of a series of anionic surfactants having the same hydrocarbon chain length, but different amino acid head group, such as l-alanine, l-valine, l-leucine, and l-phenylalanine with the transport protein, bovine serum albumin (BSA), were studied at low surfactant concentrations using fluorescence and circular dichroism (CD) spectroscopy, and isothermal titration calorimetry (ITC). The results of fluorescence measurements suggest that the surfactant molecules bind simultaneously to the drug binding site I and II of the protein subdomain IIA and IIIA, respectively. The fluorescence as well as CD spectra suggest that the conformation of BSA goes to a more structured state upon surfactant binding at low concentrations. The binding constants of the surfactants were determined by the use of fluorescence as well as ITC measurements and were compared with that of the corresponding glycine-derived surfactant. The binding constant values clearly indicate a significant head-group effect on the BSA-surfactant interaction and the interaction is mainly hydrophobic in nature. Copyright © 2015 Elsevier Inc. All rights reserved.

  16. Muons probe strong hydrogen interactions with defective graphene.

    Science.gov (United States)

    Riccò, Mauro; Pontiroli, Daniele; Mazzani, Marcello; Choucair, Mohammad; Stride, John A; Yazyev, Oleg V

    2011-11-09

    Here, we present the first muon spectroscopy investigation of graphene, focused on chemically produced, gram-scale samples, appropriate to the large muon penetration depth. We have observed an evident muon spin precession, usually the fingerprint of magnetic order, but here demonstrated to originate from muon-hydrogen nuclear dipolar interactions. This is attributed to the formation of CHMu (analogous to CH(2)) groups, stable up to 1250 K where the signal still persists. The relatively large signal amplitude demonstrates an extraordinary hydrogen capture cross section of CH units. These results also rule out the formation of ferromagnetic or antiferromagnetic order in chemically synthesized graphene samples.

  17. Interaction of Azobenzene and Benzalaniline with Strong Amido Bases.

    Science.gov (United States)

    Kornev, Alexander N; Sushev, Vyacheslav V; Zolotareva, Natalia V; Baranov, Evgenii V; Fukin, Georgy K; Abakumov, Gleb A

    2015-12-18

    The interaction of azobenzene with lithium dicyclohexylamide (Cy2NLi) in THF or Et2O afforded the ion-radical salt of azobenzene (1) structurally characterized for the first time and dicyclohexylaminyl radical, which begins a novel chain of transformations leading eventually to the imino-enamido lithium complex (3). Benzalaniline, being a relative of azobenzene, reacted with Cy2NLi without electron transfer by a proton-abstraction mechanism to form the dilithium salt of N(1),N(2),1,2-tetraphenylethene-1,2-diamine quantitatively.

  18. Rational design of viscosity reducing mutants of a monoclonal antibody: hydrophobic versus electrostatic inter-molecular interactions.

    Science.gov (United States)

    Nichols, Pilarin; Li, Li; Kumar, Sandeep; Buck, Patrick M; Singh, Satish K; Goswami, Sumit; Balthazor, Bryan; Conley, Tami R; Sek, David; Allen, Martin J

    2015-01-01

    High viscosity of monoclonal antibody formulations at concentrations ≥100 mg/mL can impede their development as products suitable for subcutaneous delivery. The effects of hydrophobic and electrostatic intermolecular interactions on the solution behavior of MAB 1, which becomes unacceptably viscous at high concentrations, was studied by testing 5 single point mutants. The mutations were designed to reduce viscosity by disrupting either an aggregation prone region (APR), which also participates in 2 hydrophobic surface patches, or a negatively charged surface patch in the variable region. The disruption of an APR that lies at the interface of light and heavy chain variable domains, VH and VL, via L45K mutation destabilized MAB 1 and abolished antigen binding. However, mutation at the preceding residue (V44K), which also lies in the same APR, increased apparent solubility and reduced viscosity of MAB 1 without sacrificing antigen binding or thermal stability. Neutralizing the negatively charged surface patch (E59Y) also increased apparent solubility and reduced viscosity of MAB 1, but charge reversal at the same position (E59K/R) caused destabilization, decreased solubility and led to difficulties in sample manipulation that precluded their viscosity measurements at high concentrations. Both V44K and E59Y mutations showed similar increase in apparent solubility. However, the viscosity profile of E59Y was considerably better than that of the V44K, providing evidence that inter-molecular interactions in MAB 1 are electrostatically driven. In conclusion, neutralizing negatively charged surface patches may be more beneficial toward reducing viscosity of highly concentrated antibody solutions than charge reversal or aggregation prone motif disruption.

  19. Investigation of salt properties with electro-acoustic measurements and their effect on dynamic binding capacity in hydrophobic interaction chromatography.

    Science.gov (United States)

    Müller, Egbert; Faude, Alexander

    2008-01-11

    The pH dependence in hydrophobic interaction chromatography (HIC) is usually discussed exclusively in terms of protein dependence and there are no clear defined trends. Many of the deviations from an ideal solution are caused solely by the high salt concentration, as protein concentration is usually negligible. So pH dependency in hydrophobic interaction chromatography could also be the result of pH dependent changes of ion properties from the salt solution. The possibility that pH dependent ion hydration or ion association in highly concentrated salt solutions may influence the dynamic protein binding capacity onto HIC resins was investigated. In buffer solutions commonly used in HIC e.g. sodium chloride, ammonium sulphate and sodium citrate pH dependent maxima in the electro-acoustic signals were found. These maxima are related to an increase of the ion sizes by hydration or ion association. At low ionic strength the maxima are in the range between 4.5 and 6 and they increased in concentrated electrolyte solutions to values between 6 and 8. The range of these maxima is in the same region as dynamic protein binding capacity maxima often observed in HIC. For a qualitative interpretation of this phenomenon of increased protein stabilization by volume exclusion effect extended scaling theory can be used. This theory predicts a maximum of protein stabilization if the ratio of salt ion diameter to water is 1.8. According to the hypothesis raised here, if the pH dependent ratio of salt ion diameter to water approaches this value the transport of the protein in the pore system is less restricted and an increase in binding capacity can be produced.

  20. Spin effects in strong-field laser-electron interactions

    International Nuclear Information System (INIS)

    Ahrens, S; Bauke, H; Müller, T-O; Villalba-Chávez, S; Müller, C

    2013-01-01

    The electron spin degree of freedom can play a significant role in relativistic scattering processes involving intense laser fields. In this contribution we discuss the influence of the electron spin on (i) Kapitza-Dirac scattering in an x-ray laser field of high intensity, (ii) photo-induced electron-positron pair production in a strong laser wave and (iii) multiphoton electron-positron pair production on an atomic nucleus. We show that in all cases under consideration the electron spin can have a characteristic impact on the process properties and their total probabilities. To this end, spin-resolved calculations based on the Dirac equation in the presence of an intense laser field are performed. The predictions from Dirac theory are also compared with the corresponding results from the Klein-Gordon equation.

  1. Strongly-interacting mirror fermions at the LHC

    Directory of Open Access Journals (Sweden)

    Triantaphyllou George

    2017-01-01

    Full Text Available The introduction of mirror fermions corresponding to an interchange of leftwith right-handed fermion quantum numbers of the Standard Model can lead to a model according to which the BEH mechanism is just an effective manifestation of a more fundamental theory while the recently-discovered Higgs-like particle is composite. This is achieved by a non-abelian gauge symmetry encompassing three mirror-fermion families strongly coupled at energies near 1 TeV. The corresponding non-perturbative dynamics lead to dynamical mirror-fermion masses between 0.14 - 1.2 TeV. Furthermore, one expects the formation of composite states, i.e. “mirror mesons”, with masses between 0.1 and 3 TeV. The number and properties of the resulting new degrees of freedom lead to a rich and interesting phenomenology, part of which is analyzed in the present work.

  2. A non-linear theory of strong interactions

    International Nuclear Information System (INIS)

    Skyrme, T.H.R.

    1994-01-01

    A non-linear theory of mesons, nucleons and hyperons is proposed. The three independent fields of the usual symmetrical pseudo-scalar pion field are replaced by the three directions of a four-component field vector of constant length, conceived in an Euclidean four-dimensional isotopic spin space. This length provides the universal scaling factor, all other constants being dimensionless; the mass of the meson field is generated by a φ 4 term; this destroys the continuous rotation group in the iso-space, leaving a 'cubic' symmetry group. Classification of states by this group introduces quantum numbers corresponding to isotopic spin and to 'strangeness'; one consequences is that, at least in elementary interactions, charge is only conserved module 4. Furthermore, particle states have not a well-defined parity, but parity is effectively conserved for meson-nucleon interactions. A simplified model, using only two dimensions of space and iso-space, is considered further; the non-linear meson field has solutions with particle character, and an indication is given of the way in which the particle field variables might be introduced as collective co-ordinates describing the dynamics of these particular solutions of the meson field equations, suggesting a unified theory based on the meson field alone. (author). 7 refs

  3. Magnetic dynamics of weakly and strongly interacting hematite nanoparticles

    DEFF Research Database (Denmark)

    Hansen, Mikkel Fougt; Bender Koch, Christian; Mørup, Steen

    2000-01-01

    The magnetic dynamics of two differently treated samples of hematite nanoparticles from the same batch with a particle size of about 20 nm have been studied by Mossbauer spectroscopy. The dynamics of the first sample, in which the particles are coated and dispersed in water, is in accordance.......3(-0.8)(+1.0) x 10(-10) s for a rotation of the sublattice magnetization directions in the rhombohedral (111) plane. The corresponding median superparamagnetic blocking temperature is about 150 K. The dynamics of the second, dry sample, in which the particles are uncoated and thus allowed to aggregate, is slowed...... down by interparticle interactions and a magnetically split spectrum is retained at room temperature. The temperature variation or the magnetic hyperfine field, corresponding to different quantiles in the hyperfine field distribution, can be consistently described by a mean field model...

  4. Light and neutron scattering study of strongly interacting ionic micelles

    International Nuclear Information System (INIS)

    Degiorgio, V.; Corti, M.; Piazza, R.

    1989-01-01

    Dilute solutions of ionic micelles formed by biological glycolipids (gangliosides) have been investigated at various ionic strengths by static and dynamic light scaterring and by small-angle neutron scattering. The size and shape of the micelle is not appreciably affected by the added salt concentration in the range 0-100 mM NaCL. From the measured intensity of scattered light we derive the electric charge Z of the micelle by fitting the data to a theoretical calculation which uses a screened Coulomb potential for the intermicellar interaction, and the hypernetted chain approximation for the calculation of the radial distribution function. The correlation function derived from dynamic light scattering shows the long time contribution typical of concentrated polydisperse systems (author). 15 refs.; 6 figs

  5. Strong delayed interactive effects of metal exposure and warming

    DEFF Research Database (Denmark)

    Debecker, Sara; Dinh, Khuong Van; Stoks, Robby

    2017-01-01

    As contaminants are often more toxic at higher temperatures, predicting their impact under global warming remains a key challenge for ecological risk assessment. Ignoring delayed effects, synergistic interactions between contaminants and warming, and differences in sensitivity across species......’ ranges could lead to an important underestimation of the risks. We addressed all three mechanisms by studying effects of larval exposure to zinc and warming before, during, and after metamorphosis in Ischnura elegans damselflies from high- and lowlatitude populations. By integrating these mechanisms...... was especially remarkable in high-latitude animals, as they appeared almost insensitive to zinc during the larval stage. Second, the well-known synergism between metals and warming was manifested not only during the larval stage but also after metamorphosis, yet notably only in low-latitude damselflies...

  6. Natural Cold Baryogenesis from Strongly Interacting Electroweak Symmetry Breaking

    CERN Document Server

    Konstandin, Thomas

    2011-01-01

    The mechanism of "cold electroweak baryogenesis" has been so far unpopular because its proposal has relied on the ad-hoc assumption of a period of hybrid inflation at the electroweak scale with the Higgs acting as the waterfall field. We argue here that cold baryogenesis can be naturally realized without the need to introduce any slow-roll potential. Our point is that composite Higgs models where electroweak symmetry breaking arises via a strongly first-order phase transition provide a well-motivated framework for cold baryogenesis. In this case, reheating proceeds by bubble collisions and we argue that this can induce changes in Chern-Simons number, which in the presence of new sources of CP violation commonly lead to baryogenesis. We illustrate this mechanism using as a source of CP violation an effective dimension-six operator which is free from EDM constraints, another advantage of cold baryogenesis compared to the standard theory of electroweak baryogenesis. Our results are general as they do not rely on...

  7. Nuclear import of cutaneous beta genus HPV8 E7 oncoprotein is mediated by hydrophobic interactions between its zinc-binding domain and FG nucleoporins

    International Nuclear Information System (INIS)

    Onder, Zeynep; Moroianu, Junona

    2014-01-01

    We have previously discovered and characterized the nuclear import pathways for the E7 oncoproteins of mucosal alpha genus HPVs, type 16 and 11. Here we investigated the nuclear import of cutaneous beta genus HPV8 E7 protein using confocal microscopy after transfections of HeLa cells with EGFP-8E7 and mutant plasmids and nuclear import assays in digitonin-permeabilized HeLa cells. We determined that HPV8 E7 contains a nuclear localization signal (NLS) within its zinc-binding domain that mediates its nuclear import. Furthermore, we discovered that a mostly hydrophobic patch 65 LRLFV 69 within the zinc-binding domain is essential for the nuclear import and localization of HPV8 E7 via hydrophobic interactions with the FG nucleoporins Nup62 and Nup153. Substitution of the hydrophobic residues within the 65 LRLFV 69 patch to alanines, and not R66A mutation, disrupt the interactions between the 8E7 zinc-binding domain and Nup62 and Nup153 and consequently inhibit nuclear import of HPV8 E7. - Highlights: • HPV8 E7 has a cNLS within its zinc-binding domain that mediates its nuclear import. • Discovery of a hydrophobic patch that is critical for the nuclear import of HPV8 E7. • HPV8 E7 nuclear import is mediated by hydrophobic interactions with FG-Nups, Nup62 and Nup153

  8. Unexpectedly strong energy stabilization inside the hydrophobic core of small protein Rubredoxin mediated by aromatic residues: correlated ab initio quantum chemical calculations

    Czech Academy of Sciences Publication Activity Database

    Vondrášek, Jiří; Bendová, Lada; Klusák, Vojtěch; Hobza, Pavel

    2005-01-01

    Roč. 127, č. 8 (2005), s. 2615-2619 ISSN 0002-7863 R&D Projects: GA AV ČR(CZ) IAA400550510 Institutional research plan: CEZ:AV0Z4055905 Keywords : hydrophobic core * globular proteins * stabilization Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 7.419, year: 2005

  9. Exact tensor network ansatz for strongly interacting systems

    Science.gov (United States)

    Zaletel, Michael P.

    It appears that the tensor network ansatz, while not quite complete, is an efficient coordinate system for the tiny subset of a many-body Hilbert space which can be realized as a low energy state of a local Hamiltonian. However, we don't fully understand precisely which phases are captured by the tensor network ansatz, how to compute their physical observables (even numerically), or how to compute a tensor network representation for a ground state given a microscopic Hamiltonian. These questions are algorithmic in nature, but their resolution is intimately related to understanding the nature of quantum entanglement in many-body systems. For this reason it is useful to compute the tensor network representation of various `model' wavefunctions representative of different phases of matter; this allows us to understand how the entanglement properties of each phase are expressed in the tensor network ansatz, and can serve as test cases for algorithm development. Condensed matter physics has many illuminating model wavefunctions, such as Laughlin's celebrated wave function for the fractional quantum Hall effect, the Bardeen-Cooper-Schrieffer wave function for superconductivity, and Anderson's resonating valence bond ansatz for spin liquids. This thesis presents some results on exact tensor network representations of these model wavefunctions. In addition, a tensor network representation is given for the time evolution operator of a long-range one-dimensional Hamiltonian, which allows one to numerically simulate the time evolution of power-law interacting spin chains as well as two-dimensional strips and cylinders.

  10. Surface modification of hydrophobic polymers for improvement of endothelial cell-surface interactions

    NARCIS (Netherlands)

    Dekker, A.; Dekker, A.; Reitsma, K.; Beugeling, T.; Beugeling, T.; Bantjes, A.; Bantjes, A.; Feijen, Jan; Kirkpatrick, C.J.; van Aken, W.G.

    1992-01-01

    The aim of this study is to improve the interaction of endothelial cells with polymers used in vascular prostheses. Polytetrafluoroethylene (PTFE; Teflon) films were treated by means of nitrogen and oxygen plasmas. Depending on the plasma exposure time, modified PTFE surfaces showed water-contact

  11. Study of the interaction of atoms with strong laser fields

    International Nuclear Information System (INIS)

    Edwards, M.

    1984-01-01

    Three aspects of the interactions of atoms with high intensity laser fields were treated. All three were motivated by experiment. The first investigation was prompted by a recent experiment (Kruit et al. 1983) involving multiphoton ionization of Xe. In this experiment it was found that the photoelectron energy spectrum contained peaks that corresponded to the absorption of more than the minimum number of photons required to ionize the atom. A model approximation here showed good qualitative agreement with experiment. An experiment (Grove et al. 1977) designed to test a theoretical calculation of the dynamical Stark effect stimulated the second part of this thesis, namely: a study of how an adiabatically and near-adiabatically changing field intensity affects the resonance fluorescence spectrum of a two-level atom. It was found that there is an asymmetry in the spectrum for off-resonance excitation produced because the field turn-on repopulates the dressed state that is depopulated by spontaneous emission. The third part of this thesis was based on an experiment (Granneman and Van der Wiel 1976) that attempted to verify a perturbation calculation of the two-photon ionization cross section of Cs. A discrepancy of four orders of magnitude near a minimum in the cross section was found between theory and experiment. To explain this discrepancy it was suggested (Armstrong and Beers 1977) that the effective order of nonlinearity (k) for this process varied significantly around the minimum. This study involves a perturbation calculation of k. It was found that k varies rapidly around the minimum, and that this variation should be experimentally observable for laser intensities of the order of tens of GW cm -2

  12. Influence of mixed electrolytes and pH on adsorption of bovine serum albumin in hydrophobic interaction chromatography.

    Science.gov (United States)

    Hackemann, Eva; Hasse, Hans

    2017-10-27

    Using salt mixtures instead of single salts can be beneficial for hydrophobic interaction chromatography (HIC). The effect of electrolytes on the adsorption of proteins, however, depends on the pH. Little is known on that dependence for mixed electrolytes. Therefore, the effect of the pH on protein adsorption from aqueous solutions containing mixed salts is systematically studied in the present work for a model system: the adsorption of bovine serum albumin (BSA) on the mildly hydrophobic resin Toyopearl PPG-600M. The pH is adjusted to 4.0, 4.7 or 7.0 using 25mM sodium phosphate or sodium citrate buffer. Binary and ternary salt mixtures of sodium chloride, ammonium chloride, sodium sulfate and ammonium sulfate as well as the pure salts are used at overall ionic strengths between 1500 and 4200mM. The temperature is always 25°C. The influence of the mixed electrolytes on the adsorption behavior of BSA changes completely with varying pH. Positive as well as negative cooperative effects of the mixed electrolytes are observed. The results are analyzed using a mathematical model which was recently introduced by our group. In that model the influence of the electrolytes is described by a Taylor series expansion in the individual ion molarities. After suitable parametrization using a subset of the data determined in the present work, the model successfully predicts the influence of mixed electrolytes on the protein adsorption. Furthermore, results for BSA from the present study are compared to literature data for lysozyme, which are available for the same adsorbent, temperature and salts. By calculating the ratio of the loading of the adsorbent for both proteins particularly favorable separation conditions can be selected. Hence, a model-based optimization of solvents for protein separation is possible. Copyright © 2017 Elsevier B.V. All rights reserved.

  13. Effect of zinc insertion and hydrophobicity on the membrane interactions and PDT activity of porphyrin photosensitizers.

    Science.gov (United States)

    Pavani, Christiane; Uchoa, Adjaci F; Oliveira, Carla S; Iamamoto, Yassuko; Baptista, Maurício S

    2009-02-01

    A series of photosensitizers (PS), which are meso-substituted tetra-cationic porphyrins, was synthesized in order to study the role of amphiphilicity and zinc insertion in photodynamic therapy (PDT) efficacy. Several properties of the PS were evaluated and compared within the series including photophysical properties (absorption spectra, fluorescence quantum yield Phif, and singlet oxygen quantum yield PhiDelta), uptake by vesicles, mitochondria and HeLa cells, dark and phototoxicity in HeLa cells. The photophysical properties of all compounds are quite similar (Phifinteraction of the zinc-substituted porphyrins is attributed to a complexing effect with phosphate groups of the phospholipids. Zinc insertion was also shown to decrease the interaction with isolated mitochondria and with the mitochondria of HeLa cells, an effect that has been explained by the particular characteristics of the mitochondrial internal membrane. Phototoxicity was shown to increase proportionally with membrane binding efficiency, which is attributed to favorable membrane interactions which allow more efficient membrane photooxidation. For this series of compounds, photodynamic efficiency is directly proportional to the membrane binding and cell uptake, but it is not totally related to mitochondrial targeting.

  14. Comparing numerical and analytical approaches to strongly interacting two-component mixtures in one dimensional traps

    DEFF Research Database (Denmark)

    Bellotti, Filipe Furlan; Salami Dehkharghani, Amin; Zinner, Nikolaj Thomas

    2017-01-01

    We investigate one-dimensional harmonically trapped two-component systems for repulsive interaction strengths ranging from the non-interacting to the strongly interacting regime for Fermi-Fermi mixtures. A new and powerful mapping between the interaction strength parameters from a continuous...

  15. Salt effects on hydrophobic interaction and charge screening in the folding of a negatively charged peptide to a coiled coil (leucine zipper).

    Science.gov (United States)

    Jelesarov, I; Dürr, E; Thomas, R M; Bosshard, H R

    1998-05-19

    The stability of a coiled coil or leucine zipper is controlled by hydrophobic interactions and electrostatic forces between the constituent helices. We have designed a 30-residue peptide with the repeating seven-residue pattern of a coiled coil, (abcdefg)n, and with Glu in positions e and g of each heptad. The glutamate side chains prevented folding at pH values above 6 because of electrostatic repulsion across the helix dimer interface as well as within the individual helices. Protonation of the carboxylates changed the conformation from a random coil monomer to a coiled coil dimer. Folding at alkaline pH where the peptide had a net charge of -7e was promoted by the addition of salts. The nature of the charge screening cation was less important than that of the anion. The high salt concentrations (>1 M) necessary to induce folding indicated that the salt-induced folding resulted from alterations in the protein-water interaction. Folding was promoted by the kosmotropic anions sulfate and fluoride and to a lesser extent by the weak kosmotrope formate, whereas chloride and the strong chaotrope perchlorate were ineffective. Kosmotropes are excluded from the protein surface, which is preferentially hydrated, and this promotes folding by strengthening hydrophobic interactions at the coiled coil interface. Although charge neutralization also contributed to folding, it was effective only when the screening cation was partnered by a good kosmotropic anion. Folding conformed to a two-state transition from random coil monomer to coiled coil dimer and was enthalpy driven and characterized by a change in the heat capacity of unfolding of 3.9 +/- 1.2 kJ mol-1 K-1. The rate of folding was analyzed by fluorescence stopped-flow measurements. Folding occurred in a biphasic reaction in which the rapid formation of an initial dimer (kf = 2 x 10(7) M-1 s-1) was followed by an equally rapid concentration-independent rearrangement to the folded dimer (k > 100 s-1).

  16. Hyperspherical Treatment of Strongly-Interacting Few-Fermion Systems in One Dimension

    DEFF Research Database (Denmark)

    Volosniev, A. G.; Fedorov, D. V.; Jensen, A. S.

    2015-01-01

    We examine a one-dimensional two-component fermionic system in a trap, assuming that all particles have the same mass and interact through a strong repulsive zero-range force. First we show how a simple system of three strongly interacting particles in a harmonic trap can be treated using...

  17. Continuous beds (monoliths): stationary phases for liquid chromatography formed using the hydrophobic interaction-based phase separation mechanism.

    Science.gov (United States)

    Maruska, Audrius; Kornysova, Olga

    2004-04-30

    The pioneering research work published by Hjertén et al. [J. Chromatogr. 473 (1989) 273] in 1989 dealing with development and application of the continuous bed (monolithic) technique as an attractive alternative for the classical packed columns in chromatography, stimulated further investigations in this direction. The research data published since that time on the development and application of the continuous beds formed using hydrophobic interaction-based phase separation mechanism are reviewed. Some innovative species of the beds, such as polyrotaxane beds or nonparticulate restricted-access materials for direct analysis of the biological fluids in the capillary format are also discussed. Characteristic features and practical details of the continuous bed technique are revealed. Due to many advantages, the continuous bed technique became a competitor with the traditional packings in capillary or chip-based microanalysis. The importance of the continuous bed morphology on the chromatographic characteristics is shown. The applicability of modern microscopic analysis to evaluate the morphology of the continuous beds is demonstrated.

  18. Influence of binding pH and protein solubility on the dynamic binding capacity in hydrophobic interaction chromatography.

    Science.gov (United States)

    Baumann, Pascal; Baumgartner, Kai; Hubbuch, Jürgen

    2015-05-29

    Hydrophobic interaction chromatography (HIC) is one of the most frequently used purification methods in biopharmaceutical industry. A major drawback of HIC, however, is the rather low dynamic binding capacity (DBC) obtained when compared to e.g. ion exchange chromatography (IEX). The typical purification procedure for HIC includes binding at neutral pH, independently of the proteins nature and isoelectric point. Most approaches to process intensification are based on resin and salt screenings. In this paper a combination of protein solubility data and varying binding pH leads to a clear enhancement of dynamic binding capacity. This is shown for three proteins of acidic, neutral, and alkaline isoelectric points. High-throughput solubility screenings as well as miniaturized and parallelized breakthrough curves on Media Scout RoboColumns (Atoll, Germany) were conducted at pH 3-10 on a fully automated robotic workstation. The screening results show a correlation between the DBC and the operational pH, the protein's isoelectric point and the overall solubility. Also, an inverse relationship of DBC in HIC and the binding kinetics was observed. By changing the operational pH, the DBC could be increased up to 30% compared to the standard purification procedure performed at neutral pH. As structural changes of the protein are reported during HIC processes, the applied samples and the elution fractions were proven not to be irreversibly unfolded. Copyright © 2015 Elsevier B.V. All rights reserved.

  19. Poly[hydroxyethyl acrylate-co-poly(ethylene glycol) diacrylate] monolithic column for efficient hydrophobic interaction chromatography of proteins.

    Science.gov (United States)

    Li, Yuanyuan; Tolley, H Dennis; Lee, Milton L

    2009-11-15

    Rigid poly[hydroxyethyl acrylate-co-poly(ethylene glycol) diacrylate] monoliths were synthesized inside 75 mum i.d. capillaries by one-step UV-initiated copolymerization using methanol and ethyl ether as porogens. The optimized monolithic column was evaluated for hydrophobic interaction chromatography (HIC) of standard proteins. Six proteins were separated within 20 min with high resolution using a 20 min elution gradient, resulting in a peak capacity of 54. The effect of gradient rate and initial salt concentration on the retention of proteins were investigated. Mass recovery was found to be greater than 96%, indicating the biocompatibility of this monolith. The monolith was mechanically stable and showed nearly no swelling or shrinking in different polarity solvents. The preparation of this in situ polymerized acrylate monolithic column was highly reproducible. The run-to-run and column-to-column reproducibilities were less than 2.0% relative standard deviation (RSD) on the basis of the retention times of protein standards. The performance of this monolithic column for HIC was comparable or superior to the performance of columns packed with small particles.

  20. Comprehensive Computational and Experimental Analysis of Biomaterial toward the Behavior of Imidazolium-Based Ionic Liquids: An Interplay between Hydrophilic and Hydrophobic Interactions.

    Science.gov (United States)

    Umapathi, Reddicherla; Vepuri, Suresh B; Venkatesu, Pannuru; Soliman, Mahmoud E

    2017-05-11

    To provide insights into the aggregation behavior, hydration tendency and variation in phase transition temperature produced by the addition of ionic liquids (ILs) to poly(N-isopropylacrylamide) (PNIPAM) aqueous solution, systematic physicochemical studies, and molecular dynamic simulations were carried out. The influence of ILs possessing the same [Cl] - anion and a set of cations [C n mim] + with increasing alkyl chain length such as 1-ethyl-3-methylimidazolium ([Emim] + ), 1-allyl-3-methylimidazolium ([Amim] + ), 1-butyl-3-methylimidazolium ([Bmim] + ), 1-hexyl-3-methylimidazolium ([Hmim] + ), 1-benzyl-3-methylimidazolium ([Bzmim] + ), and 1-decyl-3-methylimidazolium ([Dmim] + ) on the phase transition of PNIPAM was monitored by the aid of UV-visible absorption spectra, fluorescence intensity spectra, viscosity (η), dynamic light scattering (DLS), and Fourier transform infrared (FTIR) spectroscopy. Furthermore, to interpret the direct images and surface morphologies of the PNIPAM-IL aggregates, we performed field emission scanning electron microscopy (FESEM). The overall specific ranking of ILs in preserving the hydration layer around the PNIPAM aqueous solution was [Emim][Cl] > [Amim][Cl] > [Bmim][Cl] > [Hmim][Cl] > [Bzmim][Cl] > [Dmim][Cl]. Moreover, to investigate the molecular mechanism behind the change in the lower critical solution temperature (LCST) of the polymer in the presence of the ILs, a molecular dynamics (MD) study was performed. The MD simulation has clearly shown the reduction in hydration shell of the polymer after interacting with the ILs at their respective LCST. MD study revealed significant changes in polymer conformation because of IL interactions and strongly supports the experimental observation of polymer phase transition at a temperature lower than typical LCST for all the studied ILs. The driving force for concomitant sharp configurational transition has been attributed to the displacement of water molecules on the polymer surface

  1. Quantum magnetism in strongly interacting one-dimensional spinor Bose systems

    DEFF Research Database (Denmark)

    Salami Dehkharghani, Amin; Volosniev, A. G.; Lindgren, E. J.

    2015-01-01

    -range inter-species interactions much larger than their intra-species interactions and show that they have novel energetic and magnetic properties. In the strongly interacting regime, these systems have energies that are fractions of the basic harmonic oscillator trap quantum and have spatially separated...

  2. A control on hydrophobic and hydrophilic interactions between HEWL and metal Schiff-base complexes comprising of different metal ions and ligands

    Energy Technology Data Exchange (ETDEWEB)

    Koley Seth, Banabithi; Ray, Aurkie; Basu, Samita, E-mail: samita.basu@saha.ac.in

    2015-05-15

    The structural effects of different copper(II) and nickel(II) Schiff base complexes on hen egg white lysozyme (HEWL) have been investigated through steady state and time resolved absorption and fluorescence, and circular dichroism spectroscopy. The Schiff base ligands with N{sub 4} donor atoms show both hydrophobic and hydrophilic interactions, however hydrophilic interaction prevails with ligands having N{sub 2}O{sub 2} donor atoms. Variation of metal ions from Cu{sup 2+} to Ni{sup 2+} with each type of Schiff base ligand increases the probability of hydrophilic over hydrophobic interactions, which supports their significance in regulating the binding affinity between HEWL and metal complexes. On photo-excitation the complexes comprising of Cu{sup 2+} ion instead of Ni{sup 2+} ion and ligands with N{sub 4} donor system rather than N{sub 2}O{sub 2} donor system, increases the probability of intersystem crossing to populate the corresponding triplet state as observed from laser flash photolysis study. The better binding affinity of nickel complexes with different selectivities compared to copper complexes towards HEWL emphasizes the potentiality of less explored nickel complexes in drug–protein interactions. - Highlights: • Ni{sup II} and Cu{sup II} -Schiff base complexes bind hen egg white lysozyme spontaneously. • Both hydrophobic and hydrophilic interactions are effective for N{sub 4} ligands. • For N{sub 2}O{sub 2} ligands the hydrophilic is predominant over hydrophobic interaction. • Binding affinity and selectivity of Ni{sup II}-complexes are better than Cu{sup II}-complexes. • Replacement of Cu{sup 2+} by Ni{sup 2+} in a ligand enhances chance of hydrophilic interaction.

  3. The Role of Hydrophobicity and Surface Receptors at Hyphae of Lyophyllum sp. Strain Karsten in the Interaction with Burkholderia terrae BS001 – Implications for Interactions in Soil

    Science.gov (United States)

    Vila, Taissa; Nazir, Rashid; Rozental, Sonia; dos Santos, Giulia M. P.; Calixto, Renata O. R.; Barreto-Bergter, Eliana; Wick, Lukas Y.; van Elsas, Jan Dirk

    2016-01-01

    The soil bacterium Burkholderia terrae strain BS001 can interact with varying soil fungi, using mechanisms that range from the utilization of carbon/energy sources such as glycerol to the ability to reach novel territories in soil via co-migration with growing fungal mycelia. Here, we investigate the intrinsic properties of the B. terrae BS001 interaction with the basidiomycetous soil fungus Lyophyllum sp. strain Karsten. In some experiments, the ascomycetous Trichoderma asperellum 302 was also used. The hyphae of Lyophyllum sp. strain Karsten were largely hydrophilic on water-containing media versus hydrophobic when aerial, as evidenced by contact angle analyses (CA). Co-migration of B. terrae strain BS001 cells with the hyphae of the two fungi occurred preferentially along the - presumably hydrophilic - soil-dwelling hyphae, whereas aerial hyphae did not allow efficient migration, due to reduced thickness of their surrounding mucous films. Moreover, the cell numbers over the length of the hyphae in soil showed an uneven distribution, i.e., the CFU numbers increased from minima at the inoculation point to maximal numbers in the middle of the extended hyphae, then decreasing toward the terminal side. Microscopic analyses of the strain BS001 associations with the Lyophyllum sp. strain Karsten hyphae in the microcosms confirmed the presence of B. terrae BS001 cells on the mucous matter that was present at the hyphal surfaces of the fungi used. Cell agglomerates were found to accumulate at defined sites on the hyphal surfaces, which were coined ‘fungal-interactive’ hot spots. Evidence was further obtained for the contention that receptors for a physical bacterium-fungus interaction occur at the Lyophyllum sp. strain Karsten hyphal surface, in which the specific glycosphingolipid ceramide monohexoside (CMH) plays an important role. Thus, bacterial adherence may be mediated by heterogeneously distributed fungal-specific receptors, implying the CMH moieties. This

  4. Semi-automated hydrophobic interaction chromatography column scouting used in the two-step purification of recombinant green fluorescent protein.

    Science.gov (United States)

    Stone, Orrin J; Biette, Kelly M; Murphy, Patrick J M

    2014-01-01

    Hydrophobic interaction chromatography (HIC) most commonly requires experimental determination (i.e., scouting) in order to select an optimal chromatographic medium for purifying a given target protein. Neither a two-step purification of untagged green fluorescent protein (GFP) from crude bacterial lysate using sequential HIC and size exclusion chromatography (SEC), nor HIC column scouting elution profiles of GFP, have been previously reported. Bacterial lysate expressing recombinant GFP was sequentially adsorbed to commercially available HIC columns containing butyl, octyl, and phenyl-based HIC ligands coupled to matrices of varying bead size. The lysate was fractionated using a linear ammonium phosphate salt gradient at constant pH. Collected HIC eluate fractions containing retained GFP were then pooled and further purified using high-resolution preparative SEC. Significant differences in presumptive GFP elution profiles were observed using in-line absorption spectrophotometry (A395) and post-run fluorimetry. SDS-PAGE and western blot demonstrated that fluorometric detection was the more accurate indicator of GFP elution in both HIC and SEC purification steps. Comparison of composite HIC column scouting data indicated that a phenyl ligand coupled to a 34 µm matrix produced the highest degree of target protein capture and separation. Conducting two-step protein purification using the preferred HIC medium followed by SEC resulted in a final, concentrated product with >98% protein purity. In-line absorbance spectrophotometry was not as precise of an indicator of GFP elution as post-run fluorimetry. These findings demonstrate the importance of utilizing a combination of detection methods when evaluating purification strategies. GFP is a well-characterized model protein, used heavily in educational settings and by researchers with limited protein purification experience, and the data and strategies presented here may aid in development other of HIC-compatible protein

  5. Semi-Automated Hydrophobic Interaction Chromatography Column Scouting Used in the Two-Step Purification of Recombinant Green Fluorescent Protein

    Science.gov (United States)

    Murphy, Patrick J. M.

    2014-01-01

    Background Hydrophobic interaction chromatography (HIC) most commonly requires experimental determination (i.e., scouting) in order to select an optimal chromatographic medium for purifying a given target protein. Neither a two-step purification of untagged green fluorescent protein (GFP) from crude bacterial lysate using sequential HIC and size exclusion chromatography (SEC), nor HIC column scouting elution profiles of GFP, have been previously reported. Methods and Results Bacterial lysate expressing recombinant GFP was sequentially adsorbed to commercially available HIC columns containing butyl, octyl, and phenyl-based HIC ligands coupled to matrices of varying bead size. The lysate was fractionated using a linear ammonium phosphate salt gradient at constant pH. Collected HIC eluate fractions containing retained GFP were then pooled and further purified using high-resolution preparative SEC. Significant differences in presumptive GFP elution profiles were observed using in-line absorption spectrophotometry (A395) and post-run fluorimetry. SDS-PAGE and western blot demonstrated that fluorometric detection was the more accurate indicator of GFP elution in both HIC and SEC purification steps. Comparison of composite HIC column scouting data indicated that a phenyl ligand coupled to a 34 µm matrix produced the highest degree of target protein capture and separation. Conclusions Conducting two-step protein purification using the preferred HIC medium followed by SEC resulted in a final, concentrated product with >98% protein purity. In-line absorbance spectrophotometry was not as precise of an indicator of GFP elution as post-run fluorimetry. These findings demonstrate the importance of utilizing a combination of detection methods when evaluating purification strategies. GFP is a well-characterized model protein, used heavily in educational settings and by researchers with limited protein purification experience, and the data and strategies presented here may aid in

  6. Is Br2 hydration hydrophobic?

    Science.gov (United States)

    Alcaraz-Torres, A; Gamboa-Suárez, A; Bernal-Uruchurtu, M I

    2017-02-28

    The spectroscopic properties of bromine in aqueous systems suggest it can behave as either hydrophilic or hydrophobic solute. In small water clusters, the halogen bond and the hydrogen-halogen interaction are responsible for its specific way of binding. In water hydrates, it is efficiently hosted by two different cages forming the crystal structure and it has been frequently assumed that there is little or no interaction between the guest and the host. Bromine in liquid solution poses a challenging question due to its non-negligible solubility and the large blue shift measured in its absorption spectra. Using a refined semi-empirical force field, PM3-PIF, we performed a Born-Oppenheimer molecular dynamics study of bromine in liquid water. Here we present a detailed study in which we retrieved the most representative hydration structures in terms of the most frequent positions around bromine and the most common water orientations. Albeit being an approximate description of the total hydration phenomenon, it captures the contribution of the leading molecular interactions in form of the recurrent structures. Our findings confirm that the spectroscopic signature is mainly caused by the closest neighbors. The dynamics of the whole first hydration shell strongly suggests that the external molecules in that structure effectively isolate the bulk from the presence of bromine. The solvation structure fluctuates from a hydrophilic to a hydrophobic-like environment along the studied trajectory.

  7. Effects of interaction imbalance in a strongly repulsive one-dimensional Bose gas

    DEFF Research Database (Denmark)

    Barfknecht, Rafael Emilio; Zinner, Nikolaj Thomas; Foerster, Angela

    2018-01-01

    We calculate the spatial distributions and the dynamics of a few-body two-component strongly interacting Bose gas confined to an effectively one-dimensional trapping potential. We describe the densities for each component in the trap for different interaction and population imbalances. We calculate...

  8. Effects of interaction imbalance in a strongly repulsive one-dimensional Bose gas

    DEFF Research Database (Denmark)

    Barfknecht, Rafael Emilio; Zinner, Nikolaj Thomas; Foerster, Angela

    2018-01-01

    We calculate the spatial distributions and the dynamics of a few-body two-component strongly interacting Bose gas confined to an effectively one-dimensional trapping potential. We describe the densities for each component in the trap for different interaction and population imbalances. We calcula...

  9. Direct measurement of colloidal interactions between polyaniline surfaces in a UV-curable coating formulation: the effect of surface hydrophilicity/hydrophobicity and resin composition.

    Science.gov (United States)

    Jafarzadeh, Shadi; Claesson, Per M; Pan, Jinshan; Thormann, Esben

    2014-02-04

    The interactions between polyaniline particles and polyaniline surfaces in polyester acrylate resin mixed with 1,6-hexanediol diacrylate monomer have been investigated using contact angle measurements and the atomic force microscopy colloidal probe technique. Polyaniline with different characteristics (hydrophilic and hydrophobic) were synthesized directly on spherical polystyrene particles of 10 μm in diameter. Surface forces were measured between core/shell structured polystyrene/polyaniline particles (and a pure polystyrene particle as reference) mounted on an atomic force microscope cantilever and a pressed pellet of either hydrophilic or hydrophobic polyaniline powders, in resins of various polymer:monomer ratios. A short-range purely repulsive interaction was observed between hydrophilic polyaniline (doped with phosphoric acid) surfaces in polyester acrylate resin. In contrast, interactions between hydrophobic polyaniline (doped with n-decyl phosphonic acid) were dominated by attractive forces, suggesting less compatibility and higher tendency for aggregation of these particles in liquid polyester acrylate compared to hydrophilic polyaniline. Both observations are in agreement with the conclusions from the interfacial energy studies performed by contact angle measurements.

  10. Hydrophobic nano-carrier for lysozyme adsorption

    Indian Academy of Sciences (India)

    phobic interaction chromatography' to describe the separation of proteins adsorbed onto hydrophobic medium by salts [19]. HIC is based on the interaction between hydrophobic ligand carrying support material and hydrophobic amino acids bear- ing non-polar regions of protein surface [20]. The main driv- ing force for this ...

  11. Exploring Strong Interactions in Proteins with Quantum Chemistry and Examples of Their Applications in Drug Design.

    Directory of Open Access Journals (Sweden)

    Neng-Zhong Xie

    Full Text Available Three strong interactions between amino acid side chains (salt bridge, cation-π, and amide bridge are studied that are stronger than (or comparable to the common hydrogen bond interactions, and play important roles in protein-protein interactions.Quantum chemical methods MP2 and CCSD(T are used in calculations of interaction energies and structural optimizations.The energies of three types of amino acid side chain interactions in gaseous phase and in aqueous solutions are calculated using high level quantum chemical methods and basis sets. Typical examples of amino acid salt bridge, cation-π, and amide bridge interactions are analyzed, including the inhibitor design targeting neuraminidase (NA enzyme of influenza A virus, and the ligand binding interactions in the HCV p7 ion channel. The inhibition mechanism of the M2 proton channel in the influenza A virus is analyzed based on strong amino acid interactions.(1 The salt bridge interactions between acidic amino acids (Glu- and Asp- and alkaline amino acids (Arg+, Lys+ and His+ are the strongest residue-residue interactions. However, this type of interaction may be weakened by solvation effects and broken by lower pH conditions. (2 The cation- interactions between protonated amino acids (Arg+, Lys+ and His+ and aromatic amino acids (Phe, Tyr, Trp and His are 2.5 to 5-fold stronger than common hydrogen bond interactions and are less affected by the solvation environment. (3 The amide bridge interactions between the two amide-containing amino acids (Asn and Gln are three times stronger than hydrogen bond interactions, which are less influenced by the pH of the solution. (4 Ten of the twenty natural amino acids are involved in salt bridge, or cation-, or amide bridge interactions that often play important roles in protein-protein, protein-peptide, protein-ligand, and protein-DNA interactions.

  12. Gauge unification of basic forces particularly of gravitation with strong interactions

    International Nuclear Information System (INIS)

    Salam, A.

    1977-01-01

    Corresponding to the two known types of gauge theories, Yang-Mills with spin-one mediating particles and Einstein Weyl with spin-two mediating particles, it is speculated that two distinct gauge unifications of the basic forces appear to be taking place. One is the familiar Yang-Mills unification of weak and electromagnetic forces with the strong. The second is the less familiar gauge unification of gravitation with spin-two tensor-dominated aspects of strong interactions. It is proposed that there are strongly interacting spin-two strong gravitons obeying Einstein's equations, and their existence gives a clue to an understanding of the (partial) confinement of quarks, as well as of the concept of hadronic temperature, through the use of Schwarzschild de-Sitter-like partially confining solitonic solutions of the strong gravity Einstein equation

  13. arXiv Recent results from the strong interactions program of NA61/SHINE

    CERN Document Server

    Pulawski, Szymon

    2017-01-01

    The NA61/SHINE experiment studies hadron production in hadron+hadron, hadron+nucleus and nucleus+nucleus collisions. The strong interactions program has two main purposes: study the properties of the onset of deconfinement and search for the signatures of the critical point of strongly interacting matter. This aim is pursued by performing a two-dimensional scan of the phase diagram by varying the energy/momentum (13A-158A GeV/c) and the system size (p+p, Be+Be, Ar+Sc, Xe+La) of the collisions. This publication reviews recent results from p+p, Be+Be and Ar+Sc interactions. Measured particle spectra are discussed and compared to NA49 results from Pb+Pb collisions. The results illustrate the progress towards scanning the phase diagram of strongly interacting matter.

  14. Strong excitonic interactions in the oxygen K-edge of perovskite oxides

    Energy Technology Data Exchange (ETDEWEB)

    Tomita, Kota; Miyata, Tomohiro [Institute of Industrial Science, The University of Tokyo, 4-6-1 Komaba, Meguro, Tokyo 153-8505 (Japan); Olovsson, Weine [Department of Physics, Chemistry and Biology (IFM), Linköping University, SE-581 83 Linköping (Sweden); Mizoguchi, Teruyasu, E-mail: teru@iis.u-tokyo.ac.jp [Institute of Industrial Science, The University of Tokyo, 4-6-1 Komaba, Meguro, Tokyo 153-8505 (Japan)

    2017-07-15

    Excitonic interactions of the oxygen K-edge electron energy-loss near-edge structure (ELNES) of perovskite oxides, CaTiO{sub 3}, SrTiO{sub 3}, and BaTiO{sub 3}, together with reference oxides, MgO, CaO, SrO, BaO, and TiO{sub 2}, were investigated using a first-principles Bethe–Salpeter equation calculation. Although the transition energy of oxygen K-edge is high, strong excitonic interactions were present in the oxygen K-edge ELNES of the perovskite oxides, whereas the excitonic interactions were negligible in the oxygen K-edge ELNES of the reference compounds. Detailed investigation of the electronic structure suggests that the strong excitonic interaction in the oxygen K-edge ELNES of the perovskite oxides is caused by the directionally confined, low-dimensional electronic structure at the Ti–O–Ti bonds. - Highlights: • Excitonic interaction in oxygen-K edge is investigated. • Strong excitonic interaction is found in the oxygen-K edge of perovskite oxides. • The strong excitonic interaction is ascribed to the low-dimensional and confined electronic structure.

  15. Mechanistic insight of photo-induced aggregation of chicken egg white lysozyme: the interplay between hydrophobic interactions and formation of intermolecular disulfide bonds.

    Science.gov (United States)

    Xie, Jinbing; Qin, Meng; Cao, Yi; Wang, Wei

    2011-08-01

    Recently, it was reported that ultraviolet (UV) illumination could trigger the unfolding of proteins by disrupting the buried disulfide bonds. However, the consequence of such unfolding has not been adequately evaluated. Here, we report that unfolded chicken egg white lysozyme (CEWL) triggered by UV illumination can form uniform globular aggregates as confirmed by dynamic light scattering, atomic force microscopy, and transmission electron microscopy. The assembling process of such aggregates was also monitored by several other methods, such as circular dichroism, fluorescence spectroscopy, mass spectrometry based on chymotrypsin digestion, ANS-binding assay, Ellman essay, and SDS-PAGE. Our finding is that due to the dissociation of the native disulfide bonds by UV illumination, CEWL undergoes drastic conformational changes resulting in the exposure of some hydrophobic residues and free thiols. Subsequently, these partially unfolded molecules self-assemble into small granules driven by intermolecular hydrophobic interaction. With longer UV illumination or longer incubation time, these granules can further self-assemble into larger globular aggregates. The combined effects from both the hydrophobic interaction and the formation of intermolecular disulfide bonds dominate this process. Additionally, similar aggregation behavior can also be found in other three typical disulfide-bonded proteins, that is, α-lactalbumin, RNase A, and bovine serum albumin. Thus, we propose that such aggregation behavior might be a general mechanism for some disulfide-bonded proteins under UV irradiation. Copyright © 2011 Wiley-Liss, Inc.

  16. Hydrophobic Interactions Are a Key to MDM2 Inhibition by Polyphenols as Revealed by Molecular Dynamics Simulations and MM/PBSA Free Energy Calculations.

    Directory of Open Access Journals (Sweden)

    Sharad Verma

    Full Text Available p53, a tumor suppressor protein, has been proven to regulate the cell cycle, apoptosis, and DNA repair to prevent malignant transformation. MDM2 regulates activity of p53 and inhibits its binding to DNA. In the present study, we elucidated the MDM2 inhibition potential of polyphenols (Apigenin, Fisetin, Galangin and Luteolin by MD simulation and MM/PBSA free energy calculations. All polyphenols bind to hydrophobic groove of MDM2 and the binding was found to be stable throughout MD simulation. Luteolin showed the highest negative binding free energy value of -173.80 kJ/mol followed by Fisetin with value of -172.25 kJ/mol. It was found by free energy calculations, that hydrophobic interactions (vdW energy have major contribution in binding free energy.

  17. Spectral asymptotics of a strong δ′ interaction supported by a surface

    International Nuclear Information System (INIS)

    Exner, Pavel; Jex, Michal

    2014-01-01

    Highlights: • Attractive δ ′ interactions supported by a smooth surface are considered. • Surfaces can be either infinite and asymptotically planar, or compact and closed. • Spectral asymptotics is determined by the geometry of the interaction support. - Abstract: We derive asymptotic expansion for the spectrum of Hamiltonians with a strong attractive δ ′ interaction supported by a smooth surface in R 3 , either infinite and asymptotically planar, or compact and closed. Its second term is found to be determined by a Schrödinger type operator with an effective potential expressed in terms of the interaction support curvatures

  18. Mutations in the hydrophobic surface of an amphipathic groove of 14-3-3zeta disrupt its interaction with Raf-1 kinase.

    Science.gov (United States)

    Wang, H; Zhang, L; Liddington, R; Fu, H

    1998-06-26

    14-3-3 proteins bind to a diverse group of regulatory molecules such as Raf-1, Cbl, and c-Bcr that are involved in signal transduction pathways. The crystal structure of 14-3-3zeta reveals a conserved amphipathic groove that may mediate the association of 14-3-3 with diverse ligands. Consistently, mutations on the charged surface of the groove (Lys-49, Arg-56, and Arg-60) decrease the binding of 14-3-3zeta to the ligands tested (Zhang, L., Wang, H., Liu, D., Liddington, R., and Fu, H. (1997) J. Biol. Chem. 272, 13717-13724). Here we report that mutations that altered the hydrophobic property of the groove, V176D, L216D, L220D, and L227D, disrupted the interaction of 14-3-3zeta with Raf-1 kinase. The reduced binding of the 14-3-3zeta mutants to Raf-1 was apparently not because of gross structural changes in the mutants as judged by their ability to form dimers, by partial proteolysis profiles, and by circular dichroism analysis. These hydrophobic residues appeared to be required for the binding of 14-3-3zeta to distinct activation states of Raf-1 because mutations V176D, L216D, L220D, and L227D reduced the interaction of 14-3-3zeta with Raf-1 from both phorbol 12-myristate 13-acetate-stimulated and unstimulated Jurkat T cells. These same mutations also disrupted the association of 14-3-3zeta with other regulatory molecules such as Cbl and c-Bcr, suggesting that the hydrophobic surface of the amphipathic groove represents part of a binding site shared by a number of 14-3-3-associated proteins. The conservation of the hydrophobic residues Val-176, Leu-216, Leu-220, and Leu-227 among known 14-3-3 family members implies their general importance in ligand binding.

  19. Precision determination of the strong interaction shift and width in pionic hydrogen

    International Nuclear Information System (INIS)

    Anagnostopoulos, D.F.; Covita, D.D.S.; Santos, J.M.F. dos; Veloso, J.F.C.A.; Fuhrmann, H.; Gruber, A.; Hirtl, A.; Ishiwatari, T.; Marton, J.; Schmid, P.; Zmeskal, J.; Gotta, D.; Hennebach, M.; Nekipelov, M.; Indelicato, P.; Jensen, T.; Bigot, E.O. Le; Trassinelli, M.; Simons, L.M.

    2005-01-01

    The new pionic hydrogen experiment at PSI aims at an improvement in the determination of the strong interaction ground state shift and width of the pionic hydrogen atom. High precision x-ray crystal spectroscopy is used to extract isospin separated scattering lengths with accuracies on the percent level. Compared to previous efforts, the energy resolution and statistics could be improved considerably and the background is much reduced. The response function of the Johann-type crystal spectrometer has been determined with a novel method with unprecedented accuracy. The inherent difficulties of the exotic atom's method result, from the fact that the formation of a sufficient amount of pionic hydrogen atoms requires a hydrogen target pressure of several bar at least. For the extraction of a strong interaction shift, an extrapolation method to vacuum conditions proved to be successful. This contribution mostly discusses the strategy to extract a result for the strong interaction width from the data.(author)

  20. Proceedings of the summer institute on particle physics: The strong interaction, from hadrons to partons

    International Nuclear Information System (INIS)

    Chan, J.; DePorcel, L.; Dixon, L.

    1997-06-01

    This conference explored the role of the strong interaction in the physics of hadrons and partons. The Institute attracted 239 physicists from 16 countries to hear lectures on the underlying theory of Quantum Chromodynamics, modern theoretical calculational techniques, and experimental investigation of the strong interaction as it appears in various phenomena. Different regimes in which one can calculate reliably in QCD were addressed in series of lectures on perturbation theory, lattice gauge theories, and heavy quark expansions. Studies of QCD in hadron-hadron collisions, electron-positron annihilation, and electron-proton collisions all give differing perspectives on the strong interaction--from low-x to high-Q 2 . Experimental understanding of the production and decay of heavy quarks as well as the lighter meson states has continued to evolve over the past years, and these topics were also covered at the School. Selected papers have been indexed separately for inclusion in the Energy Science and Technology Database

  1. Computational strong-field quantum dynamics intense light-matter interactions

    CERN Document Server

    2017-01-01

    This graduate textbook introduces the computational techniques to study ultra-fast quantum dynamics of matter exposed to strong laser fields. Coverage includes methods to propagate wavefunctions according to the time-dependent Schrödinger, Klein-Gordon or Dirac equation, the calculation of typical observables, time-dependent density functional theory, multi-configurational time-dependent Hartree-Fock, time-dependent configuration interaction singles, the strong-field approximation, and the microscopic particle-in-cell approach.

  2. Computational strong-field quantum dynamics. Intense light-matter interactions

    Energy Technology Data Exchange (ETDEWEB)

    Bauer, Dieter (ed.) [Rostock Univ. (Germany). Inst. fuer Physik

    2017-09-01

    This graduate textbook introduces the computational techniques to study ultra-fast quantum dynamics of matter exposed to strong laser fields. Coverage includes methods to propagate wavefunctions according to the time dependent Schroedinger, Klein-Gordon or Dirac equation, the calculation of typical observables, time-dependent density functional theory, multi configurational time-dependent Hartree-Fock, time-dependent configuration interaction singles, the strong-field approximation, and the microscopic particle-in-cell approach.

  3. Lagrangian formulation for a gauge theory of strong and electromagnetic interactions defined on a Cartan bundle

    International Nuclear Information System (INIS)

    Drechsler, W.

    1977-01-01

    A Lagrangian formalism invariant under the gauge group U 1 xUSpsub(2.2) is set up in terms of spinor fields defined on a fiber bundle with Cartan connexion. The fiber of the Cartan bundle over space-time associated with strong interactions is characterized by an elementary length parameter R related to the range of the strong forces, and the structural group USpsub(2.2) of the bundle (being the covering group of the SOsub(4.1) de Sitter group) implies a gauge description of strong interactions based on the noncompact gauge group USpsub(2.2). The U 1 factor in the total gauge group corresponds to the usual gauge formulation for the electromagnetic interactions. The positivity of the energy associated with stable extended one-particle states in this dualistic description of charged hadronic matter immersed in the fiber geometry (this dualism is called strong fiber dynamics (SFD)) requires hadrons to be assigned to representations of the compact subgroup SU 2 xSU 2 of the strong-interaction gauge group USpsub(2.2). A brief discussion of the point-particle limit R→O is given by linking the presented SFD formalism for extended hadrons to an idealized description in terms of operators in a local quantum field theory

  4. Proceedings of Summer Institute of Particle Physics, July 27-August 7, 1981: the strong interactions

    Energy Technology Data Exchange (ETDEWEB)

    Mosher, A. (ed.)

    1982-01-01

    The ninth SLAC Summer Institute on Particle Physics was held in the period July 27 to August 7, 1981. The central topic was the strong interactions with the first seven days spent in a pedagogic mode and the last three in a topical conference. In addition to the morning lectures on experimental and theoretical aspects of the strong interactions, three were lectures on machine physics; this year it was electron-positron colliding beam machines, both storage rings and linear colliders. Twenty-three individual items from the meeting were prepared separately for the data base. (GHT)

  5. Strong interaction effects in high-Z K sup minus atoms

    Energy Technology Data Exchange (ETDEWEB)

    Batty, C.J.; Eckhause, M.; Gall, K.P.; Guss, P.P.; Hertzog, D.W.; Kane, J.R.; Kunselman, A.R.; Miller, J.P.; O' Brien, F.; Phillips, W.C.; Powers, R.J.; Roberts, B.L.; Sutton, R.B.; Vulcan, W.F.; Welsh, R.E.; Whyley, R.J.; Winter, R.G. (Rutherford-Appleton Laboratory, Chilton, Didcot OX11 0QX, United Kingdom (GB) College of William and Mary, Williamsburg, Virginia 23185 Boston University, Boston, Massachusetts 02215 University of Wyoming, Laramie, Wyoming 82071 California Institute of Technology, Pasadena, California 91125 Carnegie-Mellon University, Pittsburgh, Pennsylvania 15213)

    1989-11-01

    A systematic experimental study of strong interaction shifts, widths, and yields from high-{ital Z} kaonic atoms is reported. Strong interaction effects for the {ital K}{sup {minus}}(8{r arrow}7) transition were measured in U, Pb, and W, and the {ital K}{sup {minus}}(7{r arrow}6) transition in W was also observed. This is the first observation of two measurably broadened and shifted kaonic transitions in a single target and thus permitted the width of the upper state to be determined directly, rather than being inferred from yield data. The results are compared with optical-model calculations.

  6. Red-shifted carrier multiplication energy threshold and exciton recycling mechanisms in strongly interacting silicon nanocrystals.

    Science.gov (United States)

    Marri, Ivan; Govoni, Marco; Ossicini, Stefano

    2014-09-24

    We present density functional theory calculations of carrier multiplication properties in a system of strongly coupled silicon nanocrystals. Our results suggest that nanocrystal-nanocrystal interaction can lead to a reduction of the carrier multiplication energy threshold without altering the carrier multiplication efficiency at high energies, in agreement with experiments. The time evolution of the number of electron-hole pairs generated in a system of strongly interacting nanocrystals upon absorption of high-energy photons is analyzed by solving a system of coupled rate equations, where exciton recycling mechanisms are implemented. We reconsider the role played by Auger recombination which is here accounted also as an active, nondetrimental process.

  7. Probing the outstanding local hydrophobicity increase of peptide sequences induced by trifluoromethylated amino acids incorporation.

    Science.gov (United States)

    Gadais, Charlène; Devillers, Emmanuelle; Gasparik, Vincent; Chelain, Evelyne; Pytkowicz, Julien; Brigaud, Thierry

    2018-03-07

    In order to accurately probe the local hydrophobicity increase of peptide sequences by trifluoromethylated amino acids (TfmAAs) incorporation, the chromatographic hydrophobicity indexes (φ0) of three series of tripeptides containing three unnatural trifluoromethylated amino acids have been measured and compared to the indexes of their non-fluorinated analogs. The hydrophobic contribution of each fluorinated amino acids was quantified by varying the position and the protection of (R) and (S)-α-trifluoromethyl alanine (TfmAla), (S)-trifluoromethyl cysteine (TfmCys) and (L)-trifluoromethionine (TFM) in a short peptide sequence. As a general trend, a strong increase of hydrophobicity was precisely measured even exceeding the high hydrophobic contribution of the natural isoleucine amino acid. This study validates the incorporation of trifluoromethylated amino acids into peptide sequences as a rational strategy for the fine tuning of hydrophobic peptide-protein interactions. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Hydrophobic interaction between contiguous residues in the S6 transmembrane segment acts as a stimuli integration node in the BK channel

    Science.gov (United States)

    Carrasquel-Ursulaez, Willy; Contreras, Gustavo F.; Sepúlveda, Romina V.; Aguayo, Daniel; González-Nilo, Fernando

    2015-01-01

    Large-conductance Ca2+- and voltage-activated K+ channel (BK) open probability is enhanced by depolarization, increasing Ca2+ concentration, or both. These stimuli activate modular voltage and Ca2+ sensors that are allosterically coupled to channel gating. Here, we report a point mutation of a phenylalanine (F380A) in the S6 transmembrane helix that, in the absence of internal Ca2+, profoundly hinders channel opening while showing only minor effects on the voltage sensor active–resting equilibrium. Interpretation of these results using an allosteric model suggests that the F380A mutation greatly increases the free energy difference between open and closed states and uncouples Ca2+ binding from voltage sensor activation and voltage sensor activation from channel opening. However, the presence of a bulky and more hydrophobic amino acid in the F380 position (F380W) increases the intrinsic open–closed equilibrium, weakening the coupling between both sensors with the pore domain. Based on these functional experiments and molecular dynamics simulations, we propose that F380 interacts with another S6 hydrophobic residue (L377) in contiguous subunits. This pair forms a hydrophobic ring important in determining the open–closed equilibrium and, like an integration node, participates in the communication between sensors and between the sensors and pore. Moreover, because of its effects on open probabilities, the F380A mutant can be used for detailed voltage sensor experiments in the presence of permeant cations. PMID:25548136

  9. Protein-induced bilayer perturbations: Lipid ordering and hydrophobic coupling

    International Nuclear Information System (INIS)

    Petersen, Frederic N.R.; Laursen, Ib; Bohr, Henrik; Nielsen, Claus Helix

    2009-01-01

    The host lipid bilayer is increasingly being recognized as an important non-specific regulator of membrane protein function. Despite considerable progress the interplay between hydrophobic coupling and lipid ordering is still elusive. We use electron spin resonance (ESR) to study the interaction between the model protein gramicidin and lipid bilayers of varying thickness. The free energy of the interaction is up to -6 kJ/mol; thus not strongly favored over lipid-lipid interactions. Incorporation of gramicidin results in increased order parameters with increased protein concentration and hydrophobic mismatch. Our findings also show that at high protein:lipid ratios the lipids are motionally restricted but not completely immobilized. Both exchange on and off rate values for the lipid ↔ gramicidin interaction are lowest at optimal hydrophobic matching. Hydrophobic mismatch of few A results in up to 10-fold increased exchange rates as compared to the 'optimal' match situation pointing to the regulatory role of hydrophobic coupling in lipid-protein interactions.

  10. Engineering the Dynamics of Effective Spin-Chain Models for Strongly Interacting Atomic Gases

    DEFF Research Database (Denmark)

    Volosniev, A. G.; Petrosyan, D.; Valiente, M.

    2015-01-01

    We consider a one-dimensional gas of cold atoms with strong contact interactions and construct an effective spin-chain Hamiltonian for a two-component system. The resulting Heisenberg spin model can be engineered by manipulating the shape of the external confining potential of the atomic gas. We...

  11. Density functional theory for strongly-interacting electrons: Perspectives for Physics and Chemistry

    NARCIS (Netherlands)

    Gori Giorgi, P.; Seidl, M.

    2010-01-01

    Improving the accuracy and thus broadening the applicability of electronic density functional theory (DFT) is crucial to many research areas, from material science, to theoretical chemistry, biophysics and biochemistry. In the last three years, the mathematical structure of the strong-interaction

  12. Strong Coupling Asymptotics for a Singular Schrodinger Operator with an Interaction Supported by an Open Arc

    Czech Academy of Sciences Publication Activity Database

    Exner, Pavel; Pankrashkin, K.

    2014-01-01

    Roč. 39, č. 2 (2014), s. 193-212 ISSN 0360-5302 R&D Projects: GA ČR GAP203/11/0701 Institutional support: RVO:61389005 Keywords : Eigenvalue * Schrödinger operator * singular interaction * strong coupling * 35Q40 * 35P15 * 35J10 Subject RIV: BE - Theoretical Physics Impact factor: 1.013, year: 2014

  13. Spectral asymptotics of a strong delta ' interaction supported by a surface

    Czech Academy of Sciences Publication Activity Database

    Exner, Pavel; Jex, M.

    2014-01-01

    Roč. 378, 30-31 (2014), s. 2091-2095 ISSN 0375-9601 R&D Projects: GA ČR(CZ) GA14-06818S Institutional support: RVO:61389005 Keywords : delta ' surface interaction * strong coupling expansion Subject RIV: BE - Theoretical Physics Impact factor: 1.683, year: 2014

  14. On eigenvalue asymptotics for strong delta-interactions supported by surfaces with boundaries

    Czech Academy of Sciences Publication Activity Database

    Dittrich, Jaroslav; Exner, Pavel; Kuhn, C.; Pankrashkin, K.

    2016-01-01

    Roč. 97, 1-2 (2016), s. 1-25 ISSN 0921-7134 R&D Projects: GA ČR(CZ) GA14-06818S Institutional support: RVO:61389005 Keywords : singular Schrodinger operator * delta-interaction * strong coupling * eigenvalue Subject RIV: BE - Theoretical Physics Impact factor: 0.933, year: 2016

  15. Fractional energy states of strongly-interacting bosons in one dimension

    DEFF Research Database (Denmark)

    Zinner, Nikolaj Thomas; G. Volosniev, A.; V. Fedorov, D.

    2014-01-01

    We study two-component bosonic systems with strong inter-species and vanishing intra-species interactions. A new class of exact eigenstates is found with energies that are {\\it not} sums of the single-particle energies with wave functions that have the characteristic feature that they vanish over...

  16. Flavor changing strong interaction effects on top quark physics at the CERN LHC

    International Nuclear Information System (INIS)

    Ferreira, P.M.; Santos, R.; Oliveira, O.

    2006-01-01

    We perform a model independent analysis of the flavor changing strong interaction vertices relevant to the LHC. In particular, the contribution of dimension six operators to single top production in various production processes is discussed, together with possible hints for identifying signals and setting bounds on physics beyond the standard model

  17. Interaction of a neutral composite particle with a strong Coulomb field

    International Nuclear Information System (INIS)

    Wong, Cheuk-Yin.

    1988-01-01

    The author discusses the interaction of the quasi-composite (e/sup /plus//e/sup /minus//) system with an external electromagnetic field. This problem addresses the question of the origin of strong positron lines in quasi-elastic heavy-ion reactions. 3 refs

  18. Description of meson strong and electromagnetic interactions in quantum chiral theory

    International Nuclear Information System (INIS)

    Volkov, M.K.; Pervushin, V.N.

    1978-01-01

    Strong and electromagnetic interactions of mesons in the framework of the chiral theory are considered. The pion-pion scattering phases, the pion electromagnetic form factor, the mean squared radius of a K-meson, and the electric and magnetic polarizabilities of pions are calculated using the superpropagator method. The rho-meson mass, Msub(rho)=800 MeV, is calculated too

  19. Strongly interacting bosons in a one-dimensional optical lattice at incommensurate densities

    NARCIS (Netherlands)

    Lazarides, A.|info:eu-repo/dai/nl/315556668; Tieleman, O.|info:eu-repo/dai/nl/341386456; de Morais Smith, C.|info:eu-repo/dai/nl/304836346

    2011-01-01

    We investigate quantum phase transitions occurring in a system of strongly interacting ultracold bosons in a one-dimensional optical lattice. After discussing the commensurate-incommensurate transition, we focus on the phases appearing at an incommensurate filling. We find a rich phase diagram, with

  20. Stimulated adiabatic passage in a dissipative ensemble of atoms with strong Rydberg-state interactions

    DEFF Research Database (Denmark)

    Petrosyan, David; Molmer, Klaus

    2013-01-01

    We study two-photon excitation of Rydberg states of atoms under stimulated adiabatic passage with delayed laser pulses. We find that the combination of strong interaction between the atoms in Rydberg state and the spontaneous decay of the intermediate exited atomic state leads to the Rydberg...

  1. The strong interaction in e+e- annihilation and deep inelastic scattering

    International Nuclear Information System (INIS)

    Samuelsson, J.

    1996-01-01

    Various aspects of strong interactions are considered. Correlation effects in the hadronization process in a string model are studied. A discrete approximation scheme to the perturbative QCD cascade in e + e - annihilation is formulated. The model, Discrete QCD, predicts a rather low phase space density of 'effective gluons'. This is related to the properties of the running coupling constant. It provides us with a simple tool for studies of the strong interaction. It is shown that it reproduces well-known properties of parton cascades. A new formalism for the Deep Inelastic Scattering (DIS) process is developed. The model which is called the Linked Dipole Chain Model provides an interpolation between regions of high Q 2 (DGLAP) and low x-moderate Q 2 (BFKL). It gives a unified treatment of the different interaction channels an a DIS process. 17 figs

  2. Strongly interacting dark matter: Self-interactions and keV lines

    Science.gov (United States)

    Boddy, Kimberly K.; Feng, Jonathan L.; Kaplinghat, Manoj; Shadmi, Yael; Tait, Timothy M. P.

    2014-11-01

    We consider a simple supersymmetric hidden sector: pure SU (N ) gauge theory. Dark matter is made up of hidden glueballinos with mass mX and hidden glueballs with mass near the confinement scale Λ . For mX˜1 TeV and Λ ˜100 MeV , the glueballinos freeze out with the correct relic density and self-interact through glueball exchange to resolve small-scale structure puzzles. An immediate consequence is that the glueballino spectrum has a hyperfine splitting of order Λ2/mX˜10 keV . We show that the radiative decays of the excited state can explain the observed 3.5 keV x-ray line signal from clusters of galaxies, Andromeda, and the Milky Way.

  3. Heavy quark mass effects and improved tests of the flavor independence of strong interactions

    Energy Technology Data Exchange (ETDEWEB)

    Burrows, P.N. [Univ. of Oxford (United Kingdom); SLD Collaboration

    1998-08-01

    A review is given of latest results on tests of the flavor independence of strong interactions. Heavy quark mass effects are evident in the data and are now taken into account at next-to-leading order in QCD perturbation theory. The strong-coupling ratios {alpha}{sub s}{sup b}/{alpha}{sub s}{sup uds} and {alpha}{sub s}{sup c}/{alpha}{sub s}{sup uds} are found to be consistent with unity. Determinations of the b-quark mass m{sub b} (M{sub Z}) are discussed.

  4. Strong field approximation within a Faddeev-like formalism for laser-matter interactions

    International Nuclear Information System (INIS)

    Popov, Y.; Galstyan, A.; Piraux, B.; Mota-Furtado, F.; O'Mahony, P.F.

    2017-01-01

    We consider the interaction of atomic hydrogen with an intense laser field within the strong-field approximation (SFA). By using a Faddeev-like formalism, we introduce a new perturbative series in the binding potential of the atom. As a first test of this new approach, we calculate the electron energy spectrum in the very simple case of a photon energy higher than the ionisation potential. We show that by contrast to the standard perturbative series in the binding potential obtained within the strong field approximation, the first terms of the new series converge rapidly towards the results we get by solving the corresponding time-dependent Schroedinger equation. (authors)

  5. Anomalous Josephson effect in semiconductor nanowire with strong spin-orbit interaction and Zeeman effect

    Science.gov (United States)

    Yokoyama, Tomohiro; Eto, Mikio; Nazarov, Yuli

    2014-03-01

    We theoretically investigate the Josephson junction using quasi-one dimensional semiconductor nanowires with strong spin-orbit (SO) interaction, e.g., InSb. First, we examine a simple model using a single scatterer to describe the elastic scattering due to impurities and SO interaction in the normal region.[1] The Zeeman effect is taken into account by the spin-dependent phase shift of electron and hole through the system. The interplay between SO interaction and Zeeman effect results in a finite supercurrent even when the phase difference between two superconductors is zero. Moreover, the critical current depends on its current direction if more than one conduction channel is present in the nanowire. Next, we perform a numerical simulation by the tight-binding model for the nanowire to confirm our simple model. Then, we show that a spin-dependent Fermi velocity due to the SO interaction causes the anomalous Josephson effect.

  6. Semiclassical quantization of integrable systems of few interacting anyons in a strong magnetic field

    International Nuclear Information System (INIS)

    Sivan, N.; Levit, S.

    1992-01-01

    We present a semiclassical theory of charged interacting anyons in a strong magnetic field. We derive the appropriate generalization of the WKB quantization conditions and determine the corresponding wave functions for non separable integrable anyonic systems. This theory is applies to a system of two interacting anyons, two interacting anyons in the presence of an impurity and three interacting anyons. We calculate the dependence of the semiclassical energy levels on the statistical parameter and find regions in which dependence follows very different patterns. The semiclassical treatment allows to find the correlation between these patterns and the change in the character of the classical motion of the system. We also test the accuracy of the mean field approximation for low and high energy states of the three anyons. (author)

  7. Instability of collective strong-interaction phenomena in hadron production as a possible origin of the weak and electromagnetic interactions

    International Nuclear Information System (INIS)

    Arnold, R.C.

    1975-12-01

    A systematic calculus of long-range Regge cut effects in multiparticle production is constructed in the form of an infrared-divergent stochastic field theory. Total cross sections and two-body overlap integrals in such a theory may depend very sensitively upon internal quantum-numbers of incident particles, resulting in a strong symmetry breaking at ultra-high energies. Such symmetry violations will influence low energy processes through dispersion relations, and a bootstrap of weak interactions becomes possible. A rough analytic estimate of the scale of thresholds for such effects yields a BCS-type gap equation, which expresses the scale of weak and electromagnetic couplings in terms of purely strong-interaction parameters

  8. Bogolubov–Hartree–Fock Theory for Strongly Interacting Fermions in the Low Density Limit

    Energy Technology Data Exchange (ETDEWEB)

    Bräunlich, Gerhard [Friedrich-Schiller-University Jena, Institute for Mathematics (Germany); Hainzl, Christian [University of Tübingen, Mathematical Institute (Germany); Seiringer, Robert, E-mail: robert.seiringer@ist.ac.at [Institute of Science and Technology Austria (Austria)

    2016-06-15

    We consider the Bogolubov–Hartree–Fock functional for a fermionic many-body system with two-body interactions. For suitable interaction potentials that have a strong enough attractive tail in order to allow for two-body bound states, but are otherwise sufficiently repulsive to guarantee stability of the system, we show that in the low-density limit the ground state of this model consists of a Bose–Einstein condensate of fermion pairs. The latter can be described by means of the Gross–Pitaevskii energy functional.

  9. Strong constraints on self-interacting dark matter with light mediators

    International Nuclear Information System (INIS)

    Bringmann, Torsten; Walia, Parampreet

    2017-04-01

    Coupling dark matter to light new particles is an attractive way to combine thermal production with strong velocity-dependent self-interactions. Here we point out that in such models the dark matter annihilation rate is generically enhanced by the Sommerfeld effect, and we derive the resulting constraints from the Cosmic Microwave Background and other indirect detection probes. For the frequently studied case of s-wave annihilation these constraints exclude the entire parameter space where the self-interactions are large enough to address the small-scale problems of structure formation.

  10. Strong enhancement of light-matter interaction in graphene coupled to a photonic crystal nanocavity.

    Science.gov (United States)

    Gan, Xuetao; Mak, Kin Fai; Gao, Yuanda; You, Yumeng; Hatami, Fariba; Hone, James; Heinz, Tony F; Englund, Dirk

    2012-11-14

    We demonstrate a large enhancement in the interaction of light with graphene through coupling with localized modes in a photonic crystal nanocavity. Spectroscopic studies show that a single atomic layer of graphene reduces the cavity reflection by more than a factor of one hundred, while also sharply reducing the cavity quality factor. The strong interaction allows for cavity-enhanced Raman spectroscopy on subwavelength regions of a graphene sample. A coupled-mode theory model matches experimental observations and indicates significantly increased light absorption in the graphene layer. The coupled graphene-cavity system also enables precise measurements of graphene's complex refractive index.

  11. Equilibration Dynamics of Strongly Interacting Bosons in 2D Lattices with Disorder.

    Science.gov (United States)

    Yan, Mi; Hui, Hoi-Yin; Rigol, Marcos; Scarola, V W

    2017-08-18

    Motivated by recent optical lattice experiments [J.-y. Choi et al., Science 352, 1547 (2016)SCIEAS0036-807510.1126/science.aaf8834], we study the dynamics of strongly interacting bosons in the presence of disorder in two dimensions. We show that Gutzwiller mean-field theory (GMFT) captures the main experimental observations, which are a result of the competition between disorder and interactions. Our findings highlight the difficulty in distinguishing glassy dynamics, which can be captured by GMFT, and many-body localization, which cannot be captured by GMFT, and indicate the need for further experimental studies of this system.

  12. Divalent Ion Parameterization Strongly Affects Conformation and Interactions of an Anionic Biomimetic Polymer

    Energy Technology Data Exchange (ETDEWEB)

    Daily, Michael D.; Baer, Marcel D.; Mundy, Christopher J.

    2016-03-10

    The description of peptides and the use of molecular dynamics simulations to refine structures and investigate the dynamics on an atomistic scale are well developed. Through a consensus in this community over multiple decades, parameters were developed for molecular interactions that only require the sequence of amino-acids and an initial guess for the three-dimensional structure. The recent discovery of peptoids will require a retooling of the currently available interaction potentials in order to have the same level of confidence in the predicted structures and pathways as there is presently in the peptide counterparts. Here we present modeling of peptoids using a combination of ab initio molecular dynamics (AIMD) and atomistic resolution classical forcefield (FF) to span the relevant time and length scales. To properly account for the dominant forces that stabilize ordered structures of peptoids, namely steric-, electrostatic, and hydrophobic interactions mediated through sidechain-sidechain interactions in the FF model, those have to be first mapped out using high fidelity atomistic representations. A key feature here is not only to use gas phase quantum chemistry tools, but also account for solvation effects in the condensed phase through AIMD. One major challenge is to elucidate ion binding to charged or polar regions of the peptoid and its concomitant role in the creation of local order. Here, similar to proteins, a specific ion effect is observed suggesting that both the net charge and the precise chemical nature of the ion will need to be described. MDD was supported by MS3 (Materials Synthesis and Simulation Across Scales) Initiative at Pacific Northwest National Laboratory. Research was funded by the Laboratory Directed Research and Development program at Pacific Northwest National Laboratory. MDB acknowledges support from US Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Material & Engineering. CJM acknowledges

  13. Gauge unification of basic forces, particularly of gravitation with strong interactions

    International Nuclear Information System (INIS)

    Salam, A.

    1977-01-01

    An attempt is made to present a case for the use of both the Einstein--Weyl spin-two and the Yang--Mills spin-one gauge structures for describing strong interactions. By emphasizing both spin-one and -two aspects of this force, it is hoped that a unification of this force, on the one hand, with gravity theory and, on the other, with the electromagnetic and weak interactions can be achieved. A Puppi type of tetrahedral interralation of fundamental forces, with the strong force playing a pivotal role due to its mediation through both spin-one and -two quanta, is proposed. It is claimed that the gauge invariance of gravity theory permits the use of ambuguity-free nonpolynomial techniques and thereby the securing of relistic regularization in gravity-modified field theories with the Newtonian constant G/sub N/ providing a relistic cutoff. 37 references

  14. Les Houches Summer School : Strongly Interacting Quantum Systems out of Equilibrium

    CERN Document Server

    Millis, Andrew J; Parcollet, Olivier; Saleur, Hubert; Cugliandolo, Leticia F

    2016-01-01

    Over the last decade new experimental tools and theoretical concepts are providing new insights into collective nonequilibrium behavior of quantum systems. The exquisite control provided by laser trapping and cooling techniques allows us to observe the behavior of condensed bose and degenerate Fermi gases under nonequilibrium drive or after quenches' in which a Hamiltonian parameter is suddenly or slowly changed. On the solid state front, high intensity short-time pulses and fast (femtosecond) probes allow solids to be put into highly excited states and probed before relaxation and dissipation occur. Experimental developments are matched by progress in theoretical techniques ranging from exact solutions of strongly interacting nonequilibrium models to new approaches to nonequilibrium numerics. The summer school Strongly interacting quantum systems out of equilibrium' held at the Les Houches School of Physics as its XCIX session was designed to summarize this progress, lay out the open questions and define dir...

  15. On the Frequency Distribution of Neutral Particles from Low-Energy Strong Interactions

    Directory of Open Access Journals (Sweden)

    Federico Colecchia

    2017-01-01

    Full Text Available The rejection of the contamination, or background, from low-energy strong interactions at hadron collider experiments is a topic that has received significant attention in the field of particle physics. This article builds on a particle-level view of collision events, in line with recently proposed subtraction methods. While conventional techniques in the field usually concentrate on probability distributions, our study is, to our knowledge, the first attempt at estimating the frequency distribution of background particles across the kinematic space inside individual collision events. In fact, while the probability distribution can generally be estimated given a model of low-energy strong interactions, the corresponding frequency distribution inside a single event typically deviates from the average and cannot be predicted a priori. We present preliminary results in this direction and establish a connection between our technique and the particle weighting methods that have been the subject of recent investigation at the Large Hadron Collider.

  16. Thermodynamics of strongly interacting fermions in two-dimensional optical lattices

    Energy Technology Data Exchange (ETDEWEB)

    Khatami, Ehsan; Rigol, Marcos [Department of Physics, Georgetown University, Washington DC, 20057 (United States); Kavli Institute for Theoretical Physics, University of California, Santa Barbara, Santa Barbara, California 93106 (United States)

    2011-11-15

    We study finite-temperature properties of strongly correlated fermions in two-dimensional optical lattices by means of numerical linked cluster expansions, a computational technique that allows one to obtain exact results in the thermodynamic limit. We focus our analysis on the strongly interacting regime, where the on-site repulsion is of the order of or greater than the band width. We compute the equation of state, double occupancy, entropy, uniform susceptibility, and spin correlations for temperatures that are similar to or below the ones achieved in current optical lattice experiments. We provide a quantitative analysis of adiabatic cooling of trapped fermions in two dimensions, by means of both flattening the trapping potential and increasing the interaction strength.

  17. Limitations due to strong head-on beam-beam interactions (MD 1434)

    CERN Document Server

    Buffat, Xavier; Iadarola, Giovanni; Papadopoulou, Parthena Stefania; Papaphilippou, Yannis; Pellegrini, Dario; Pojer, Mirko; Crockford, Guy; Salvachua Ferrando, Belen Maria; Trad, Georges; Barranco Garcia, Javier; Pieloni, Tatiana; Tambasco, Claudia; CERN. Geneva. ATS Department

    2017-01-01

    The results of an experiment aiming at probing the limitations due to strong head on beam-beam interactions are reported. It is shown that the loss rates significantly increase when moving the working point up and down the diagonal, possibly due to effects of the 10th and/or 14th order resonances. Those limitations are tighter for bunches with larger beam-beam parameters, a maximum total beam-beam tune shift just below 0.02 could be reached.

  18. Model for Thermal Relic Dark Matter of Strongly Interacting Massive Particles.

    Science.gov (United States)

    Hochberg, Yonit; Kuflik, Eric; Murayama, Hitoshi; Volansky, Tomer; Wacker, Jay G

    2015-07-10

    A recent proposal is that dark matter could be a thermal relic of 3→2 scatterings in a strongly coupled hidden sector. We present explicit classes of strongly coupled gauge theories that admit this behavior. These are QCD-like theories of dynamical chiral symmetry breaking, where the pions play the role of dark matter. The number-changing 3→2 process, which sets the dark matter relic abundance, arises from the Wess-Zumino-Witten term. The theories give an explicit relationship between the 3→2 annihilation rate and the 2→2 self-scattering rate, which alters predictions for structure formation. This is a simple calculable realization of the strongly interacting massive-particle mechanism.

  19. arXiv Recent results and future of the NA61/SHINE strong interactions program

    CERN Document Server

    Lysakowski, Bartosz

    2018-01-01

    NA61/SHINE is a fixed target experiment at the CERN Super-Proton- Synchrotron. The main goals of the experiment are to discover the critical point of strongly interacting matter and study the properties of the onset of deconfnement. In order to reach these goals the collaboration studies hadron production properties in nucleus-nucleus, proton-proton and proton-nucleus interactions. In this talk, recent results on particle production in p+p interactions, as well as Be+Be and Ar+Sc collisions in the SPS energy range are reviewed. The results are compared with available world data. The future of the NA61/SHINE scientifc program is also presented.

  20. Strong late-time circumstellar interaction in the peculiar supernova iPTF14hls

    Science.gov (United States)

    Andrews, Jennifer E.; Smith, Nathan

    2018-03-01

    We present a moderate-resolution spectrum of the peculiar Type II supernova iPTF14hls taken on day 1153 after discovery. This spectrum reveals the clear signature of shock interaction with dense circumstellar material (CSM). We suggest that this CSM interaction may be an important clue for understanding the extremely unusual photometric and spectroscopic evolution seen over the first 600 days of iPTF14hls. The late-time spectrum shows a double-peaked intermediate-width Hα line indicative of expansion speeds around 1000 km s-1, with the double-peaked shape hinting at a disc-like geometry in the CSM. If the CSM was highly asymmetric, perhaps in a disc or torus that was ejected from the star 3-6 years prior to explosion, then the CSM interaction could have been overrun and hidden below the SN ejecta photosphere from a wide range of viewing angles. In that case, CSM interaction luminosity would have been thermalized well below the photosphere, potentially sustaining the high luminosity without exhibiting the traditional observational signatures of strong CSM interaction (narrow Hα emission and X-rays). Variations in density structure of the CSM could account for the multiple rebrightenings of the lightcurve. We propose that a canonical 1× 1051 erg explosion energy with enveloped CSM interaction as seen in some recent SNe, rather than an entirely new explosion mechanism, may be adequate to explain the peculiar evolution of iPTF14hls.

  1. Role of high-order dispersion on strong-field laser-molecule interactions

    Science.gov (United States)

    Dantus, Marcos; Nairat, Muath

    2016-05-01

    Strong-field (1012- 1016 W/ cm2) laser-matter interactions are characterized by the extent of fragmentation and charge of the resulting ions as a function of peak intensity and pulse duration. Interactions are influenced by high-order dispersion, which is difficult to characterize and compress. Fourth-order dispersion (FOD) causes a time-symmetric pedestal, while third-order dispersion (TOD) causes a leading (negative) or following (positive) pedestal. Here, we report on strong-field interactions with pentane and toluene molecules, tracking the molecular ion and the doubly charged carbon ion C2+ yields as a function of TOD and FOD for otherwise transform-limited (TL) 35fs pulses. We find TL pulses enhance molecular ion yield and suppress C2+ yield, while FOD reverses this trend. Interestingly, the leading pedestal in negative TOD enhances C2+ yield compared to positive TOD. Pulse pedestals are of particular importance in strong-field science because target ionization or alignment can be induced well before the main pulse arrives. A pedestal following an intense laser pulse can cause sequential ionization or accelerate electrons causing cascaded ionization. Control of high-order dispersion allows us to provide strong-field measurements that can help address the mechanisms responsible for different product ions in the presence and absence of pedestals. Financial support of this work comes from the Chemical Sciences, Geosciences and Biosciences Division, Office of Basic Energy Sciences, Office of Science, U.S. Department of Energy, DOE SISGR (DE-SC0002325)

  2. Strong Selection Significantly Increases Epistatic Interactions in the Long-Term Evolution of a Protein.

    Directory of Open Access Journals (Sweden)

    Aditi Gupta

    2016-03-01

    Full Text Available Epistatic interactions between residues determine a protein's adaptability and shape its evolutionary trajectory. When a protein experiences a changed environment, it is under strong selection to find a peak in the new fitness landscape. It has been shown that strong selection increases epistatic interactions as well as the ruggedness of the fitness landscape, but little is known about how the epistatic interactions change under selection in the long-term evolution of a protein. Here we analyze the evolution of epistasis in the protease of the human immunodeficiency virus type 1 (HIV-1 using protease sequences collected for almost a decade from both treated and untreated patients, to understand how epistasis changes and how those changes impact the long-term evolvability of a protein. We use an information-theoretic proxy for epistasis that quantifies the co-variation between sites, and show that positive information is a necessary (but not sufficient condition that detects epistasis in most cases. We analyze the "fossils" of the evolutionary trajectories of the protein contained in the sequence data, and show that epistasis continues to enrich under strong selection, but not for proteins whose environment is unchanged. The increase in epistasis compensates for the information loss due to sequence variability brought about by treatment, and facilitates adaptation in the increasingly rugged fitness landscape of treatment. While epistasis is thought to enhance evolvability via valley-crossing early-on in adaptation, it can hinder adaptation later when the landscape has turned rugged. However, we find no evidence that the HIV-1 protease has reached its potential for evolution after 9 years of adapting to a drug environment that itself is constantly changing. We suggest that the mechanism of encoding new information into pairwise interactions is central to protein evolution not just in HIV-1 protease, but for any protein adapting to a changing

  3. Strong coupling electrostatics for randomly charged surfaces: antifragility and effective interactions.

    Science.gov (United States)

    Ghodrat, Malihe; Naji, Ali; Komaie-Moghaddam, Haniyeh; Podgornik, Rudolf

    2015-05-07

    We study the effective interaction mediated by strongly coupled Coulomb fluids between dielectric surfaces carrying quenched, random monopolar charges with equal mean and variance, both when the Coulomb fluid consists only of mobile multivalent counterions and when it consists of an asymmetric ionic mixture containing multivalent and monovalent (salt) ions in equilibrium with an aqueous bulk reservoir. We analyze the consequences that follow from the interplay between surface charge disorder, dielectric and salt image effects, and the strong electrostatic coupling that results from multivalent counterions on the distribution of these ions and the effective interaction pressure they mediate between the surfaces. In a dielectrically homogeneous system, we show that the multivalent counterions are attracted towards the surfaces with a singular, disorder-induced potential that diverges logarithmically on approach to the surfaces, creating a singular but integrable counterion density profile that exhibits an algebraic divergence at the surfaces with an exponent that depends on the surface charge (disorder) variance. This effect drives the system towards a state of lower thermal 'disorder', one that can be described by a renormalized temperature, exhibiting thus a remarkable antifragility. In the presence of an interfacial dielectric discontinuity, the singular behavior of counterion density at the surfaces is removed but multivalent counterions are still accumulated much more strongly close to randomly charged surfaces as compared with uniformly charged ones. The interaction pressure acting on the surfaces displays in general a highly non-monotonic behavior as a function of the inter-surface separation with a prominent regime of attraction at small to intermediate separations. This attraction is caused directly by the combined effects from charge disorder and strong coupling electrostatics of multivalent counterions, which dominate the surface-surface repulsion due to

  4. Observation of Spin-Polarons in a strongly interacting Fermi liquid

    Science.gov (United States)

    Zwierlein, Martin

    2009-03-01

    We have observed spin-polarons in a highly imbalanced mixture of fermionic atoms using tomographic RF spectroscopy. Feshbach resonances allow to freely tune the interactions between the two spin states involved. A single spin down atom immersed in a Fermi sea of spin up atoms can do one of two things: For strong attraction, it can form a molecule with exactly one spin up partner, but for weaker interaction it will spread its attraction and surround itself with a collection of majority atoms. This spin down atom ``dressed'' with a spin up cloud constitutes the spin-polaron. We have observed a striking spectroscopic signature of this quasi-particle for various interaction strengths, a narrow peak in the spin down spectrum that emerges above a broad background. The narrow width signals a long lifetime of the spin-polaron, much longer than the collision rate with spin up atoms, as it must be for a proper quasi-particle. The peak position allows to directly measure the polaron energy. The broad pedestal at high energies reveals physics at short distances and is thus ``molecule-like'': It is exactly matched by the spin up spectra. The comparison with the area under the polaron peak allows to directly obtain the quasi-particle weight Z. We observe a smooth transition from polarons to molecules. At a critical interaction strength of 1/kFa = 0.7, the polaron peak vanishes and spin up and spin down spectra exactly match, signalling the formation of molecules. This is the same critical interaction strength found earlier to separate a normal Fermi mixture from a superfluid molecular Bose-Einstein condensate. The spin-polarons determine the low-temperature phase diagram of imbalanced Fermi mixtures. In principle, polarons can interact with each other and should, at low enough temperatures, form a superfluid of p-wave pairs. We will present a first indication for interactions between polarons.

  5. An extended CCR5 ECL2 peptide forms a helix that binds HIV-1 gp120 through non-specific hydrophobic interactions.

    Science.gov (United States)

    Abayev, Meital; Moseri, Adi; Tchaicheeyan, Oren; Kessler, Naama; Arshava, Boris; Naider, Fred; Scherf, Tali; Anglister, Jacob

    2015-05-01

    C-C chemokine receptor 5 (CCR5) serves as a co-receptor for HIV-1. The CCR5 N-terminal segment, the second extracellular loop (ECL2) and the transmembrane helices have been implicated in binding the envelope glycoprotein gp120. Peptides corresponding to the sequence of the putative ECL2 as well as peptides containing extracellular loops 1 and 3 (ECL1 and ECL3) were found to inhibit HIV-1 infection. The aromatic residues in the C-terminal half of an ECL2 peptide were shown to interact with gp120. In the present study, we found that, in aqueous buffer, the segment Q188-Q194 in an elongated ECL2 peptide (R168-K197) forms an amphiphilic helix, which corresponds to the beginning of the fifth transmembrane helix in the crystal structure of CCR5. Two-dimensional saturation transfer difference NMR spectroscopy and dynamic filtering studies revealed involvement of Y187, F189, W190 and F193 of the helical segment in the interaction with gp120. The crystal structure of CCR5 shows that the aromatic side chains of F189, W190 and F193 point away from the binding pocket and interact with the membrane or with an adjacent CCR5 molecule, and therefore could not interact with gp120 in the intact CCR5 receptor. We conclude that these three aromatic residues of ECL2 peptides interact with gp120 through hydrophobic interactions that are not representative of the interactions of the intact CCR5 receptor. The HIV-1 inhibition by ECL2 peptides, as well as by ECL1 and ECL3 peptides and peptides corresponding to ECL2 of CXCR4, which serves as an alternative HIV-1 co-receptor, suggests that there is a hydrophobic surface in the envelope spike that could be a target for HIV-1 entry inhibitors. The structures and NMR data of ECL2S (Q186-T195) were deposited under Protein Data Bank ID 2mzx and BioMagResBank ID 25505. © 2015 FEBS.

  6. Quantum criticality of one-dimensional multicomponent Fermi gas with strongly attractive interaction

    International Nuclear Information System (INIS)

    He, Peng; Jiang, Yuzhu; Guan, Xiwen; He, Jinyu

    2015-01-01

    Quantum criticality of strongly attractive Fermi gas with SU(3) symmetry in one dimension is studied via the thermodynamic Bethe ansatz (TBA) equations. The phase transitions driven by the chemical potential μ, effective magnetic field H 1 , H 2 (chemical potential biases) are analyzed at the quantum criticality. The phase diagram and critical fields are analytically determined by the TBA equations in the zero temperature limit. High accurate equations of state, scaling functions are also obtained analytically for the strong interacting gases. The dynamic exponent z=2 and correlation length exponent ν=1/2 read off the universal scaling form. It turns out that the quantum criticality of the three-component gases involves a sudden change of density of states of one cluster state, two or three cluster states. In general, this method can be adapted to deal with the quantum criticality of multicomponent Fermi gases with SU(N) symmetry. (paper)

  7. Adsorbate-mediated strong metal-support interactions in oxide-supported Rh catalysts.

    Science.gov (United States)

    Matsubu, John C; Zhang, Shuyi; DeRita, Leo; Marinkovic, Nebojsa S; Chen, Jingguang G; Graham, George W; Pan, Xiaoqing; Christopher, Phillip

    2017-02-01

    The optimization of supported metal catalysts predominantly focuses on engineering the metal site, for which physical insights based on extensive theoretical and experimental contributions have enabled the rational design of active sites. Although it is well known that supports can influence the catalytic properties of metals, insights into how metal-support interactions can be exploited to optimize metal active-site properties are lacking. Here we utilize in situ spectroscopy and microscopy to identify and characterize a support effect in oxide-supported heterogeneous Rh catalysts. This effect is characterized by strongly bound adsorbates (HCO x ) on reducible oxide supports (TiO 2 and Nb 2 O 5 ) that induce oxygen-vacancy formation in the support and cause HCO x -functionalized encapsulation of Rh nanoparticles by the support. The encapsulation layer is permeable to reactants, stable under the reaction conditions and strongly influences the catalytic properties of Rh, which enables rational and dynamic tuning of CO 2 -reduction selectivity.

  8. Studies of the strong and electroweak interactions at the Z0 pole

    International Nuclear Information System (INIS)

    Hildreth, M.D.

    1995-03-01

    This thesis presents studies of the strong and electroweak forces, two of the fundamental interactions that govern the behavior of matter at high energies. The authors have used the hadronic decays of Z 0 bosons produced with the unique experimental apparatus of the e + e - Linear Collider at the Stanford Linear Accelerator Center (SLAC) and the SLAC Large Detector (SLD) for these measurements. Employing the precision tracking capabilities of the SLD, they isolated samples of Z 0 events containing primarily the decays of the Z 0 to a chosen quark type. With an inclusive selection technique, they have tested the flavor independence of the strong coupling, α s by measuring the rates of multi-jet production in isolated samples of light (uds), c, and b quark events. They find: α s uds /α s all 0.987 ± 0.027(stat) ± 0.022(syst) ± 0.022(theory), α s c /α s all = 1.012 ± 0.104(stat) ± 0.102(syst) ± 0.096(theory), α s b /α s all = 1.026 ± 0.041(stat) ± 0.030(theory), which implies that the strong interaction is independent of quark flavor within the present experimental sensitivity. They have also measured the extent of parity-violation in the Z 0 c bar c coupling, given by the parameter A c 0 , using a sample of fully and partially reconstructed D* and D + meson decays and the longitudinal polarization of the SLC electron beam. This sample of charm quark events was derived with selection techniques based on their kinematic properties and decay topologies. They find A c 0 = 0.73 ± 0.22(stat) ± 0.10(syst). This value is consistent with that expected in the electroweak standard model of particle interactions

  9. Evidence for strong Breit interaction in dielectronic recombination of highly charged heavy ions.

    Science.gov (United States)

    Nakamura, Nobuyuki; Kavanagh, Anthony P; Watanabe, Hirofumi; Sakaue, Hiroyuki A; Li, Yueming; Kato, Daiji; Currell, Fred J; Ohtani, Shunsuke

    2008-02-22

    Resonant strengths have been measured for dielectronic recombination of Li-like iodine, holmium, and bismuth using an electron beam ion trap. By observing the atomic number dependence of the state-resolved resonant strength, clear experimental evidence has been obtained that the importance of the generalized Breit interaction (GBI) effect on dielectronic recombination increases as the atomic number increases. In particular, it has been shown that the GBI effect is exceptionally strong for the recombination through the resonant state [1s2s(2)2p(1/2)](1).

  10. Viscosity in strongly interacting quantum field theories from black hole physics.

    Science.gov (United States)

    Kovtun, P K; Son, D T; Starinets, A O

    2005-03-25

    The ratio of shear viscosity to volume density of entropy can be used to characterize how close a given fluid is to being perfect. Using string theory methods, we show that this ratio is equal to a universal value of variant Planck's over 2pi/4pik(B) for a large class of strongly interacting quantum field theories whose dual description involves black holes in anti-de Sitter space. We provide evidence that this value may serve as a lower bound for a wide class of systems, thus suggesting that black hole horizons are dual to the most ideal fluids.

  11. Mechanism for thermal relic dark matter of strongly interacting massive particles.

    Science.gov (United States)

    Hochberg, Yonit; Kuflik, Eric; Volansky, Tomer; Wacker, Jay G

    2014-10-24

    We present a new paradigm for achieving thermal relic dark matter. The mechanism arises when a nearly secluded dark sector is thermalized with the standard model after reheating. The freeze-out process is a number-changing 3→2 annihilation of strongly interacting massive particles (SIMPs) in the dark sector, and points to sub-GeV dark matter. The couplings to the visible sector, necessary for maintaining thermal equilibrium with the standard model, imply measurable signals that will allow coverage of a significant part of the parameter space with future indirect- and direct-detection experiments and via direct production of dark matter at colliders. Moreover, 3→2 annihilations typically predict sizable 2→2 self-interactions which naturally address the "core versus cusp" and "too-big-to-fail" small-scale structure formation problems.

  12. Many-body Anderson localization of strongly interacting bosons in random lattices

    International Nuclear Information System (INIS)

    Katzer, Roman

    2015-05-01

    In the present work, we investigate the problem of many-body localization of strongly interacting bosons in random lattices within the disordered Bose-Hubbard model. This involves treating both the local Mott-Hubbard physics as well as the non-local quantum interference processes, which give rise to the phenomenon of Anderson localization, within the same theory. In order to determine the interaction induced transition to the Mott insulator phase, it is necessary to treat the local particle interaction exactly. Therefore, here we use a mean-field approach that approximates only the kinetic term of the Hamiltonian. This way, the full problem of interacting bosons on a random lattice is reduced to a local problem of a single site coupled to a particle bath, which has to be solved self-consistently. In accordance to previous works, we find that a finite disorder width leads to a reduced size of the Mott insulating regions. The transition from the superfluid phase to the Bose glass phase is driven by the non-local effect of Anderson localization. In order to describe this transition, one needs to work within a theory that is non-local as well. Therefore, here we introduce a new approach to the problem. Based on the results for the local excitation spectrum obtained within the mean-field theory, we reduce the full, interacting model to an effective, non-interacting model by applying a truncation scheme to the Hilbert space. Evaluating the long-ranged current density within this approximation, we identify the transition from the Bose glass to the superfluid phase with the Anderson transition of the effective model. Resolving this transition using the self-consistent theory of localization, we obtain the full phase diagram of the disordered Bose-Hubbard model in the regime of strong interaction and larger disorder. In accordance to the theorem of inclusions, we find that the Mott insulator and the superfluid phase are always separated by the compressible, but insulating

  13. Concepts relating magnetic interactions, intertwined electronic orders, and strongly correlated superconductivity

    Science.gov (United States)

    Davis, J. C. Séamus; Lee, Dung-Hai

    2013-01-01

    Unconventional superconductivity (SC) is said to occur when Cooper pair formation is dominated by repulsive electron–electron interactions, so that the symmetry of the pair wave function is other than an isotropic s-wave. The strong, on-site, repulsive electron–electron interactions that are the proximate cause of such SC are more typically drivers of commensurate magnetism. Indeed, it is the suppression of commensurate antiferromagnetism (AF) that usually allows this type of unconventional superconductivity to emerge. Importantly, however, intervening between these AF and SC phases, intertwined electronic ordered phases (IP) of an unexpected nature are frequently discovered. For this reason, it has been extremely difficult to distinguish the microscopic essence of the correlated superconductivity from the often spectacular phenomenology of the IPs. Here we introduce a model conceptual framework within which to understand the relationship between AF electron–electron interactions, IPs, and correlated SC. We demonstrate its effectiveness in simultaneously explaining the consequences of AF interactions for the copper-based, iron-based, and heavy-fermion superconductors, as well as for their quite distinct IPs. PMID:24114268

  14. Simulation of Quantum Many-Body Dynamics for Generic Strongly-Interacting Systems

    Science.gov (United States)

    Meyer, Gregory; Machado, Francisco; Yao, Norman

    2017-04-01

    Recent experimental advances have enabled the bottom-up assembly of complex, strongly interacting quantum many-body systems from individual atoms, ions, molecules and photons. These advances open the door to studying dynamics in isolated quantum systems as well as the possibility of realizing novel out-of-equilibrium phases of matter. Numerical studies provide insight into these systems; however, computational time and memory usage limit common numerical methods such as exact diagonalization to relatively small Hilbert spaces of dimension 215 . Here we present progress toward a new software package for dynamical time evolution of large generic quantum systems on massively parallel computing architectures. By projecting large sparse Hamiltonians into a much smaller Krylov subspace, we are able to compute the evolution of strongly interacting systems with Hilbert space dimension nearing 230. We discuss and benchmark different design implementations, such as matrix-free methods and GPU based calculations, using both pre-thermal time crystals and the Sachdev-Ye-Kitaev model as examples. We also include a simple symbolic language to describe generic Hamiltonians, allowing simulation of diverse quantum systems without any modification of the underlying C and Fortran code.

  15. Possible Cosmological consequences of thermodynamics in a unified approach to gravitational and strong interactions

    International Nuclear Information System (INIS)

    Recami, E.; Tonin Zanchin, V.; Martinez, J.M.

    1986-01-01

    A unified geometrical approach to strong and gravitational interactions has been recently proposed, based on the classical methods of General Relativity. According to it, hadrons can be regarded as black-hole type solutions of new field equations describing two tensorial metric-field (the ordinary gravitational field, and the strong one). In this paper, we first seize the opportunity for an improved exposition of some elements of the theory relevant to our present scope. Secondly, by extending the Bekenstein-Hawking thermodynamics to the above mentioned strong black-holes (SBH), it is shown: 1) that SBH thermodynamics seems to require a new expansion of our cosmos after its Big Crunch (i.e. that a recontraction of our cosmos has to be followed by a new creation); 2) that a collapsing star with mass M approximately in the range 3 to 5 solar masses, once reached the neutron-star density, could re-explode tending to form a (radiating) object with a diameter of the order of 1 light-day: thus failing to create a gravitational black-hole

  16. Deterministic alternatives to the full configuration interaction quantum Monte Carlo method for strongly correlated systems

    Science.gov (United States)

    Tubman, Norm; Whaley, Birgitta

    The development of exponential scaling methods has seen great progress in tackling larger systems than previously thought possible. One such technique, full configuration interaction quantum Monte Carlo, allows exact diagonalization through stochastically sampling of determinants. The method derives its utility from the information in the matrix elements of the Hamiltonian, together with a stochastic projected wave function, which are used to explore the important parts of Hilbert space. However, a stochastic representation of the wave function is not required to search Hilbert space efficiently and new deterministic approaches have recently been shown to efficiently find the important parts of determinant space. We shall discuss the technique of Adaptive Sampling Configuration Interaction (ASCI) and the related heat-bath Configuration Interaction approach for ground state and excited state simulations. We will present several applications for strongly correlated Hamiltonians. This work was supported through the Scientific Discovery through Advanced Computing (SciDAC) program funded by the U.S. Department of Energy, Office of Science, Advanced Scientific Computing Research and Basic Energy Sciences.

  17. Studies of the strong and electroweak interactions at the Z0 pole

    Energy Technology Data Exchange (ETDEWEB)

    Hildreth, Michael Douglas [Stanford Univ., CA (United States)

    1995-03-01

    This thesis presents studies of the strong and electroweak forces, two of the fundamental interactions that govern the behavior of matter at high energies. The authors have used the hadronic decays of Z0 bosons produced with the unique experimental apparatus of the e+e- Linear Collider at the Stanford Linear Accelerator Center (SLAC) and the SLAC Large Detector (SLD) for these measurements. Employing the precision tracking capabilities of the SLD, they isolated samples of Z0 events containing primarily the decays of the Z0 to a chosen quark type. With an inclusive selection technique, they have tested the flavor independence of the strong coupling, αs by measuring the rates of multi-jet production in isolated samples of light (uds), c, and b quark events. They find: α$s\\atop{uds}$/α$s\\atop{all}$ 0.987 ± 0.027(stat) ± 0.022(syst) ± 0.022(theory), α$c\\atop{s}$/α$all\\atop{s}$ = 1.012 ± 0.104(stat) ± 0.102(syst) ± 0.096(theory), α$b\\atop{s}$/α$all\\atop{s}$ = 1.026 {+-} 0.041(stat) ± 0.030(theory), which implies that the strong interaction is independent of quark flavor within the present experimental sensitivity. They have also measured the extent of parity-violation in the Z0 c$\\bar{c}$ coupling, given by the parameter A $0\\atop{c}$, using a sample of fully and partially reconstructed D* and D+ meson decays and the longitudinal polarization of the SLC electron beam. This sample of charm quark events was derived with selection techniques based on their kinematic properties and decay topologies. They find A$0\\atop{c}$ = 0.73 ± 0.22(stat) ± 0.10(syst). This value is consistent with that expected in the electroweak standard model of particle interactions.

  18. Uniform strongly interacting soliton gas in the frame of the Nonlinear Schrodinger Equation

    Science.gov (United States)

    Gelash, Andrey; Agafontsev, Dmitry

    2017-04-01

    The statistical properties of many soliton systems play the key role in the fundamental studies of integrable turbulence and extreme sea wave formation. It is well known that separated solitons are stable nonlinear coherent structures moving with constant velocity. After collisions with each other they restore the original shape and only acquire an additional phase shift. However, at the moment of strong nonlinear soliton interaction (i.e. when solitons are located close) the wave field are highly complicated and should be described by the theory of inverse scattering transform (IST), which allows to integrate the KdV equation, the NLSE and many other important nonlinear models. The usual approach of studying the dynamics and statistics of soliton wave field is based on relatively rarefied gas of solitons [1,2] or restricted by only two-soliton interactions [3]. From the other hand, the exceptional role of interacting solitons and similar coherent structures - breathers in the formation of rogue waves statistics was reported in several recent papers [4,5]. In this work we study the NLSE and use the most straightforward and general way to create many soliton initial condition - the exact N-soliton formulas obtained in the theory of the IST [6]. We propose the recursive numerical scheme for Zakharov-Mikhailov variant of the dressing method [7,8] and discuss its stability with respect to increasing the number of solitons. We show that the pivoting, i.e. the finding of an appropriate order for recursive operations, has a significant impact on the numerical accuracy. We use the developed scheme to generate statistical ensembles of 32 strongly interacting solitons, i.e. solve the inverse scattering problem for the high number of discrete eigenvalues. Then we use this ensembles as initial conditions for numerical simulations in the box with periodic boundary conditions and study statics of obtained uniform strongly interacting gas of NLSE solitons. Author thanks the

  19. PP3 forms stable tetrameric structures through hydrophobic interactions via the C-terminal amphipathic helix and undergoes reversible thermal dissociation and denaturation.

    Science.gov (United States)

    Pedersen, Lise R L; Nielsen, Søren B; Hansted, Jon G; Petersen, Torben E; Otzen, Daniel E; Sørensen, Esben S

    2012-01-01

    The milk protein proteose peptone component 3 (PP3), also called lactophorin, is a small phosphoglycoprotein that is expressed exclusively in lactating mammary tissue. The C-terminal part of the protein contains an amphipathic helix, which, upon proteolytic liberation, shows antibacterial activity. Previous studies indicate that PP3 forms multimeric structures and inhibits lipolysis in milk. PP3 is the principal component of the proteose peptone fraction of milk. This fraction is obtained by heating and acidifying skimmed milk, and in the dairy industry milk products are also typically exposed to treatments such as pasteurization, which potentially could result in irreversible denaturation and inactivation of bioactive components. We show here, by the use of CD, that PP3 undergoes reversible thermal denaturation and that the α-helical structure of PP3 remains stable even at gastric pH levels. This suggests that the secondary structure survives treatment during the purification and possibly some of the industrial processing of milk. Finally, asymmetric flow field-flow fractionation and multi-angle light scattering reveal that PP3 forms a rather stable tetrameric complex, which dissociates and unfolds in guanidinium chloride. The cooperative unfolding of PP3 was completely removed by the surfactant n-dodecyl-β-d-maltoside and by oleic acid. We interpret this to mean that the PP3 monomers associate through hydrophobic interactions via the hydrophobic surface of the amphipathic helix. These observations suggest that PP3 tetramers act as reservoirs of PP3 molecules, which in the monomeric state may stabilize the milk fat globule. © 2011 The Authors Journal compilation © 2011 FEBS.

  20. Modeling a nonperturbative spinor vacuum interacting with a strong gravitational wave

    Energy Technology Data Exchange (ETDEWEB)

    Dzhunushaliev, Vladimir [Al-Farabi Kazakh National University, Department of Theoretical and Nuclear Physics, Almaty (Kazakhstan); Al-Farabi Kazakh National University, Institute of Experimental and Theoretical Physics, Almaty (Kazakhstan); Folomeev, Vladimir [Institute of Physicotechnical Problems and Material Science, NAS of the Kyrgyz Republic, Bishkek (Kyrgyzstan)

    2015-07-15

    We consider the propagation of strong gravitational waves interacting with a nonperturbative vacuum of spinor fields. To described the latter, we suggest an approximate model. The corresponding Einstein equation has the form of the Schroedinger equation. Its gravitational-wave solution is analogous to the solution of the Schroedinger equation for an electron moving in a periodic potential. The general solution for the periodic gravitational waves is found. The analog of the Kronig-Penney model for gravitational waves is considered. It is shown that the suggested gravitational-wave model permits the existence of weak electric charge and current densities concomitant with the gravitational wave. Based on this observation, a possible experimental verification of the model is suggested. (orig.)

  1. Phase transitions, nonequilibrium dynamics, and critical behavior of strongly interacting systems

    Energy Technology Data Exchange (ETDEWEB)

    Mottola, E.; Bhattacharya, T.; Cooper, F. [and others

    1998-12-31

    This is the final report of a three-year, Laboratory Directed Research and Development project at Los Alamos National Laboratory. In this effort, large-scale simulations of strongly interacting systems were performed and a variety of approaches to the nonequilibrium dynamics of phase transitions and critical behavior were investigated. Focus areas included (1) the finite-temperature quantum chromodynamics phase transition and nonequilibrium dynamics of a new phase of matter (the quark-gluon plasma) above the critical temperature, (2) nonequilibrium dynamics of a quantum fields using mean field theory, and (3) stochastic classical field theoretic models with applications to spinodal decomposition and structural phase transitions in a variety of systems, such as spin chains and shape memory alloys.

  2. Description of meson strong weak and electromagnetic interactions in quantum chiral theory

    International Nuclear Information System (INIS)

    Volkov, M.K.; Ehbert, D.

    1979-01-01

    The picture of all the principal meson decays of the basic octet has been obtained in the framework of the SU(3)xSU(3) symmetric chiral model of the field theory. An attempt is made to generalize the nonlinear chiral model for the case of charmed hadrons, i.e., a transition from the SU(3)xSU(3) group to the SU(4)xSU(4) group. The authors have succeeded in elucidating unambiguously the role of the Kabibbo angle both in weak and strong interactions (it defines the structure of weak hadron currents and hadron mass splitting in isotopic multiplets). Proceeding from decays of the basic octet mesons it has been shown that the nonlinear chiral SU(3)xSU(3) symmetric theory may be considered as the quantum field theory, which satisfactorily describes the low-energy meson physics in two first orders of the perturbation theory (tree and single-loop approximations)

  3. Particle-Hole Character of the Higgs and Goldstone Modes in Strongly Interacting Lattice Bosons

    Science.gov (United States)

    Di Liberto, M.; Recati, A.; Trivedi, N.; Carusotto, I.; Menotti, C.

    2018-02-01

    We study the low-energy excitations of the Bose-Hubbard model in the strongly interacting superfluid phase using a Gutzwiller approach. We extract the single-particle and single-hole excitation amplitudes for each mode and report emergent mode-dependent particle-hole symmetry on specific arc-shaped lines in the phase diagram connecting the well-known Lorentz-invariant limits of the Bose-Hubbard model. By tracking the in-phase particle-hole symmetric oscillations of the order parameter, we provide an answer to the long-standing question about the fate of the pure amplitude Higgs mode away from the integer-density critical point. Furthermore, we point out that out-of-phase symmetric oscillations in the gapless Goldstone mode are responsible for a full suppression of the condensate density oscillations. Possible detection protocols are also discussed.

  4. Magnetism and local symmetry breaking in a Mott insulator with strong spin orbit interactions.

    Science.gov (United States)

    Lu, L; Song, M; Liu, W; Reyes, A P; Kuhns, P; Lee, H O; Fisher, I R; Mitrović, V F

    2017-02-09

    Study of the combined effects of strong electronic correlations with spin-orbit coupling (SOC) represents a central issue in quantum materials research. Predicting emergent properties represents a huge theoretical problem since the presence of SOC implies that the spin is not a good quantum number. Existing theories propose the emergence of a multitude of exotic quantum phases, distinguishable by either local point symmetry breaking or local spin expectation values, even in materials with simple cubic crystal structure such as Ba 2 NaOsO 6 . Experimental tests of these theories by local probes are highly sought for. Our local measurements designed to concurrently probe spin and orbital/lattice degrees of freedom of Ba 2 NaOsO 6 provide such tests. Here we show that a canted ferromagnetic phase which is preceded by local point symmetry breaking is stabilized at low temperatures, as predicted by quantum theories involving multipolar spin interactions.

  5. Are strong empathizers better mentalizers? Evidence for independence and interaction between the routes of social cognition.

    Science.gov (United States)

    Kanske, Philipp; Böckler, Anne; Trautwein, Fynn-Mathis; Parianen Lesemann, Franca H; Singer, Tania

    2016-09-01

    Although the processes that underlie sharing others' emotions (empathy) and understanding others' mental states (mentalizing, Theory of Mind) have received increasing attention, it is yet unclear how they relate to each other. For instance, are people who strongly empathize with others also more proficient in mentalizing? And (how) do the neural networks supporting empathy and mentalizing interact? Assessing both functions simultaneously in a large sample (N = 178), we show that people's capacities to empathize and mentalize are independent, both on a behavioral and neural level. Thus, strong empathizers are not necessarily proficient mentalizers, arguing against a general capacity of social understanding. Second, we applied dynamic causal modeling to investigate how the neural networks underlying empathy and mentalizing are orchestrated in naturalistic social settings. Results reveal that in highly emotional situations, empathic sharing can inhibit mentalizing-related activity and thereby harm mentalizing performance. Taken together, our findings speak against a unitary construct of social understanding and suggest flexible interplay of distinct social functions. © The Author (2016). Published by Oxford University Press. For Permissions, please email: journals.permissions@oup.com.

  6. Observation of quantum-limited spin transport in strongly interacting two-dimensional Fermi gases

    Science.gov (United States)

    Olsen, Ben A.; Luciuk, Chris; Smale, Scott; Böttcher, Florian; Sharum, Haille; Trotzky, Stefan; Enss, Tilman; Thywissen, Joseph H.

    2017-04-01

    Conjectured quantum bounds on transport appear to be respected in many strongly interacting many-body systems. Since transport occurs as a system relaxes to equilibrium, many such bounds can be recast as an upper bound on the local relaxation rate kB T / ℏ . Systems saturating this ``Planckian'' bound lack well defined quasiparticles promoting transport. We measure the transport properties of 2D ultracold Fermi gases of 40K during transverse demagnetization in a magnetic field gradient. Using a phase-coherent spin-echo sequence, we distinguish bare spin diffusion from the Leggett-Rice effect, in which demagnetization is slowed by the precession of spin current around the local magnetization. When the 2D scattering length is tuned near an s-wave Feshbach resonance to be comparable to the inverse Fermi wave vector kF- 1 , we find that the bare transverse spin diffusivity reaches a minimum of 1 . 7(6) ℏ / m . Demagnetization is also reflected in the growth rate of the s-wave contact, observed using time-resolved rf spectroscopy. At unitarity, the contact rises to 0 . 28(3) kF2 per particle, measuring the breaking of scaling symmetry. Our observations support the conjecture that under strong scattering, the local relaxation rate is bounded from above by kB T / ℏ .

  7. New precision era of experiments on strong interaction with strangeness at DAFNE/LNF-INFN

    Directory of Open Access Journals (Sweden)

    Ishiwatari T.

    2014-03-01

    Full Text Available The strong-interaction shifts and widths of kaonic hydrogen, deuterium, 3He, and 4He were measured in the SIDDHARTA experiment. The most precise values of the shift and width of the kaonic hydrogen 1s state were determined to be ϵ1s = −283 ± 36(stat±6(syst eV and Γ1s = 541±89(stat±22(syst eV. The upper limit of the kaonic deuterium Kα yield was found to be ≤ 0.39%. In addition, the shifts and widths of the kaonic 3He and 4He 2p states were determined to be ϵ2p(3He = −2 ± 2(stat ± 4(syst eV and Γ2p(3He = 6 ± 6(stat ± 7(syst eV; ϵ2p(4He = +5 ± 3(stat ± 4(syst eV and Γ2p(4He = 14 ± 8(stat ± 5(syst eV. These values are important for the constraints of the low-energy K¯N$\\bar KN$ interaction in theoretical approaches.

  8. Interaction of a strong stellar wind with a mutiphase interstellar medium

    International Nuclear Information System (INIS)

    Wolff, M.T.

    1986-01-01

    The interaction of a strong stellar wind with the interstellar medium produces a hot, low density cavity surrounded by a swept-up shell of gas. This cavity-plus-shell structure is collectively called an interstellar bubble. In calculations prior to this work, researchers assumed that the interstellar medium surrounding the wind-blowing star was described by a constant density and temperature (i.e., was homogeneous). This dissertation improves on these earlier calculations by assuming that the interstellar medium surrounding the star is inhomogeneous or multiphase. Gas flows are modeled by assuming that the inhomogeneous phases of the interstellar medium (the clouds) and the intercloud gas form two distinct but interacting fluid that can exchange mass momentum and energy with each other. In one set of calculations, it is assumed that thermal conductive evaporation of clouds brought about by the clouds sitting inside a region of hot (T ≅ 10 6 K) gas is the only mass exchange process operation between the clouds and intercloud fluid. It was found that the mass injection from the clouds to the intercloud gas via the process of thermal evaporation can significantly modify the structure of the interstellar bubble from that found in previous studies

  9. Interaction of Bile Salts with β-Cyclodextrins Reveals Nonclassical Hydrophobic Effect and Enthalpy-Entropy Compensation.

    Science.gov (United States)

    Paul, Bijan K; Ghosh, Narayani; Mukherjee, Saptarshi

    2016-04-28

    Herein, we present an endeavor toward exploring the lacuna underlying the host:guest chemistry of inclusion complex formation between bile salt(s) and β-cyclodextrin(s) (βCDs). An extensive thermodynamic investigation based on isothermal titration calorimetry (ITC) demonstrates a dominant contribution from exothermic enthalpy change (ΔH enthalpy-entropy compensation behavior showing indication for almost complete compensation. To this end, we have quantified the interaction of two bile salt molecules (namely, sodium deoxycholate and sodium glycocholate) with a series of varying chemical substituents on the host counterpart, namely, βCD, (2-hydroxypropyl)-βCD, and methyl βCD.

  10. Influence of Hydrophobicity on Polyelectrolyte Complexation

    Energy Technology Data Exchange (ETDEWEB)

    Sadman, Kazi [Department; amp, Engineering, Northwestern University, Evanston, Illinois 60208, United States; Wang, Qifeng [Department; amp, Engineering, Northwestern University, Evanston, Illinois 60208, United States; Chen, Yaoyao [Department; amp, Engineering, Northwestern University, Evanston, Illinois 60208, United States; Keshavarz, Bavand [Department; Jiang, Zhang [X-ray; Shull, Kenneth R. [Department; amp, Engineering, Northwestern University, Evanston, Illinois 60208, United States

    2017-11-16

    Polyelectrolyte complexes are a fascinating class of soft materials that can span the full spectrum of mechanical properties from low viscosity fluids to glassy solids. This spectrum can be accessed by modulating the extent of electrostatic association in these complexes. However, to realize the full potential of polyelectrolyte complexes as functional materials their molecular level details need to be clearly correlated with their mechanical response. The present work demonstrates that by making simple amendments to the chain architecture it is possible to affect the salt responsiveness of polyelectrolyte complexes in a systematic manner. This is achieved by quaternizing poly(4-vinylpyridine) (QVP) with methyl, ethyl and propyl substituents– thereby increasing the hydrophobicity with increasing side chain length– and complexing them with a common anionic polyelectrolyte, poly(styrene sulfonate). The mechanical 1 ACS Paragon Plus Environment behavior of these complexes is compared to the more hydrophilic system of poly(styrene sulfonate) and poly(diallyldimethylammonium) by quantifying the swelling behavior in response to salt stimuli. More hydrophobic complexes are found to be more resistant to doping by salt, yet the mechanical properties of the complex remain contingent on the overall swelling ratio of the complex itself, following near universal swelling-modulus master curves that are quantified in this work. The rheological behavior of QVP complex coacervates are found to be approximately the same, only requiring higher salt concentrations to overcome strong hydrophobic interactions, demonstrating that hydrophobicity can be used as an important parameter for tuning the stability of polyelectrolyte complexes in general, while still preserving the ability to be processed “saloplastically”.

  11. Role of strongly interacting additives in tuning the structure and properties of polymer systems

    Science.gov (United States)

    Daga, Vikram Kumar

    Block copolymer (BCP) nanocomposites are an important class of hybrid materials in which the BCP guides the spatial location and the periodic assembly of the additives. High loadings of well-dispersed nanofillers are generally important for many applications including mechanical reinforcing of polymers. In particular the composites shown in this work might find use as etch masks in nanolithography, or for enabling various phase selective reactions for new materials development. This work explores the use of hydrogen bonding interactions between various additives (such as homopolymers and non-polymeric additives) and small, disordered BCPs to cause the formation of well-ordered morphologies with small domains. A detailed study of the organization of homopolymer chains and the evolution of structure during the process of ordering is performed. The results demonstrate that by tuning the selective interaction of the additive with the incorporating phase of the BCP, composites with significantly high loadings of additives can be formed while maintaining order in the BCP morphology. The possibility of high and selective loading of additives in one of the phases of the ordered BCP composite opens new avenues due to high degree of functionalization and the proximity of the additives within the incorporating phase. This aspect is utilized in one case for the formation of a network structure between adjoining additive cores to derive mesoporous inorganic materials with their structures templated by the BCP. The concept of additive-driven assembly is extended to formulate BCPadditive blends with an ability to undergo photo-induced ordering. Underlying this strategy is the ability to transition a weakly interacting additive to its strongly interacting form. This strategy provides an on-demand, non-intrusive route for formation of well-ordered nanostructures in arbitrarily defined regions of an otherwise disordered material. The second area explored in this dissertation deals

  12. Characterisation of nanomaterial hydrophobicity using engineered surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Desmet, Cloé; Valsesia, Andrea; Oddo, Arianna; Ceccone, Giacomo; Spampinato, Valentina; Rossi, François; Colpo, Pascal, E-mail: pascal.colpo@ec.europa.eu [Directorate Health, Consumer and Reference Materials, Consumer Products Safety Unit (Italy)

    2017-03-15

    Characterisation of engineered nanomaterials (NMs) is of outmost importance for the assessment of the potential risks arising from their extensive use. NMs display indeed a large variety of physico-chemical properties that drastically affect their interaction with biological systems. Among them, hydrophobicity is an important property that is nevertheless only slightly covered by the current physico-chemical characterisation techniques. In this work, we developed a method for the direct characterisation of NM hydrophobicity. The determination of the nanomaterial hydrophobic character is carried out by the direct measurement of the affinity of the NMs for different collectors. Each collector is an engineered surface designed in order to present specific surface charge and hydrophobicity degrees. Being thus characterised by a combination of surface energy components, the collectors enable the NM immobilisation with surface coverage in relation to their hydrophobicity. The experimental results are explained by using the extended DLVO theory, which takes into account the hydrophobic forces acting between NMs and collectors.

  13. Advances in the Application of the Similarity Renormalization Group to Strongly Interacting Systems

    Science.gov (United States)

    Wendt, Kyle Andrew

    The Similarity Renormalization Group (SRG) as applied in nuclear physics is a tool to soften and decouple inter-nucleon interactions. The necessity for such a tool is generated by the strong coupling of high- and low-momentum degrees of freedom in modern precision interactions. In recent years the SRG have been used with great success in enhancing few (2-12) nucleon calculations, but there are still many open questions about the nature of the SRG, and how it affects chiral forces. This thesis focuses on three topics within the study of the SRG as it applies to nuclear few-body interactions, with a focus on nuclear forces from chiral effective field theory. The typical SRG applied to nuclear physics is the T̂ rel-SRG, which uses the relative kinetic energy to generate a renormalizing flow. However, this generator explicitly violates criteria that ensure the SRG will decouple the interaction. Previous study of this generator found for a simple model that as the resolution is lowered past the momentum scales associated with a bound state, the T̂rel-SRG enhances coupling near the bound state whereas the classical Wegner generator completely decouples the bound state. In practice, this has not been an issue because the only two-body bound state is very shallow, and therefore well below the SRG softening scales. This study is extended to use leading order chiral effective field theory with large cutoffs to explore this decoupling. This builds in the same low energy physics while including spurious high energy details, including high energy bound states. The evolutions with T̂rel-SRG are compared to the evolution with Wegner's generator. During the decoupling process, the SRG can induce new non-local contributions to the interactions, which inhibits its application using Quantum Monte Carlo (QMC) methods. Separating out the non-local terms is numerically difficult. Instead an approximate separation is applied to T̂ rel-SRG evolved interactions and the nature of the

  14. Numerical simulation of wave-current interaction under strong wind conditions

    Science.gov (United States)

    Larrañaga, Marco; Osuna, Pedro; Ocampo-Torres, Francisco Javier

    2017-04-01

    Although ocean surface waves are known to play an important role in the momentum and other scalar transfer between the atmosphere and the ocean, most operational numerical models do not explicitly include the terms of wave-current interaction. In this work, a numerical analysis about the relative importance of the processes associated with the wave-current interaction under strong off-shore wind conditions in Gulf of Tehuantepec (the southern Mexican Pacific) was carried out. The numerical system includes the spectral wave model WAM and the 3D hydrodynamic model POLCOMS, with the vertical turbulent mixing parametrized by the kappa-epsilon closure model. The coupling methodology is based on the vortex-force formalism. The hydrodynamic model was forced at the open boundaries using the HYCOM database and the wave model was forced at the open boundaries by remote waves from the southern Pacific. The atmospheric forcing for both models was provided by a local implementation of the WRF model, forced at the open boundaries using the CFSR database. The preliminary analysis of the model results indicates an effect of currents on the propagation of the swell throughout the study area. The Stokes-Coriolis term have an impact on the transient Ekman transport by modifying the Ekman spiral, while the Stokes drift has an effect on the momentum advection and the production of TKE, where the later induces a deepening of the mixing layer. This study is carried out in the framework of the project CONACYT CB-2015-01 255377 and RugDiSMar Project (CONACYT 155793).

  15. Critical Behavior of a Strongly-Interacting 2D Electron System

    Science.gov (United States)

    Sarachik, Myriam P.

    2013-03-01

    Two-dimensional (2D) electron systems that obey Fermi liquid theory at high electron densities are expected to undergo one or more transitions to spatially and/or spin-ordered phases as the density is decreased, ultimately forming a Wigner crystal in the dilute, strongly-interacting limit. Interesting, unexpected behavior is observed with decreasing electron density as the electrons' interactions become increasingly important relative to their kinetic energy: the resistivity undergoes a transition from metallic to insulating temperature dependence; the resistance increases sharply and then saturates abruptly with increasing in-plane magnetic field; a number of experiments indicate that the electrons' effective mass exhibits a substantial increase approaching a finite ``critical'' density. There has been a great deal of debate concerning the underlying physics in these systems, and many have questioned whether the change of the resistivity from metallic to insulating signals a phase transition or a crossover. In this talk, I will report measurements that show that with decreasing density ns, the thermopower S of a low-disorder 2D electron system in silicon exhibits a sharp increase by more than an order of magnitude, tending to a divergence at a finite, disorder-independent density nt, consistent with the critical form (- T / S) ~(ns -nt) x with x = 1 . 0 +/- 0 . 1 (T is the temperature). Unlike the resistivity which may not clearly distinguish between a transition and crossover behavior, the thermopower provides clear evidence that a true phase transition occurs with decreasing density to a new low-density phase. Work supported by DOE Grant DE-FG02-84ER45153, BSF grant 2006375, RFBR, RAS, and the Russian Ministry of Science.

  16. Strongly self-interacting vector dark matter via freeze-in

    Science.gov (United States)

    Duch, Mateusz; Grzadkowski, Bohdan; Huang, Da

    2018-01-01

    We study a vector dark matter (VDM) model in which the dark sector couples to the Standard Model sector via a Higgs portal. If the portal coupling is small enough the VDM can be produced via the freeze-in mechanism. It turns out that the electroweak phase transition have a substantial impact on the prediction of the VDM relic density. We further assume that the dark Higgs boson which gives the VDM mass is so light that it can induce strong VDM self-interactions and solve the small-scale structure problems of the Universe. As illustrated by the latest LUX data, the extreme smallness of the Higgs portal coupling required by the freeze-in mechanism implies that the dark matter direct detection bounds are easily satisfied. However, the model is well constrained by the indirect detections of VDM from BBN, CMB, AMS-02, and diffuse γ/X-rays. Consequently, only when the dark Higgs boson mass is at most of O (keV) does there exist a parameter region which leads to a right amount of VDM relic abundance and an appropriate VDM self-scattering while satisfying all other constraints simultaneously.

  17. Strongly interacting Fermi systems in 1/N expansion: From cold atoms to color superconductivity

    International Nuclear Information System (INIS)

    Abuki, Hiroaki; Brauner, Tomas

    2008-01-01

    We investigate the 1/N expansion proposed recently as a strategy to include quantum fluctuation effects in the nonrelativistic, attractive Fermi gas at and near unitarity. We extend the previous results by calculating the next-to-leading order corrections to the critical temperature along the whole crossover from Bardeen-Cooper-Schrieffer (BCS) superconductivity to Bose-Einstein condensation. We demonstrate explicitly that the extrapolation from the mean-field approximation, based on the 1/N expansion, provides a useful approximation scheme only on the BCS side of the crossover. We then apply the technique to the study of strongly interacting relativistic many-fermion systems. Having in mind the application to color superconductivity in cold dense quark matter, we develop, within a simple model, a formalism suitable to compare the effects of order parameter fluctuations in phases with different pairing patterns. Our main conclusion is that the relative correction to the critical temperature is to a good accuracy proportional to the mean-field ratio of the critical temperature and the chemical potential. As a consequence, it is significant even rather deep in the BCS regime, where phenomenologically interesting values of the quark-quark coupling are expected. Possible impact on the phase diagram of color-superconducting quark matter is discussed.

  18. Three-dimensional RAGE Simulations of Strong Shocks Interacting with Sapphire Balls

    Science.gov (United States)

    Wilde, B. H.; Coker, R. F.; Rosen, P. A.; Foster, J. M.; Hartigan, P.; Carver, R.; Blue, B. E.; Hansen, J. F.

    2007-11-01

    The goal of our 2007-2008 NLUF experiments at the OMEGA laser facility is to investigate the physics associated with the interaction of strong shocks and jets with clumpy media. These experiments have close analogs with structures observed in a variety of astrophysical flows, including jets from young stars, outflows from planetary nebulae, and extragalactic jets. In these experiments, a multi-mega bar shock is created in a plastic layer by heating a hohlraum to 190 eV temperature with 5 kJ of laser energy. The shock enters a 0.3 g/cc RF foam into which are embedded 500 micron diameter sapphire balls. The shock shears off the ball such that it creates thin two-dimensional sheets of sapphire which subsequently break up and undergo the three-dimensional Widnall instability (Widnall, S. E., Bliss, D. B., & Tsai, C. 1974, J. Fluid Mech., 66, 35). The time evolution of the ball/balls is diagnosed with dual-axes point-projection radiography. In this poster, we discuss the results of high-resolution three-dimensional radiation-hydrodynamic simulations with the adaptive-mesh-refinement RAGE code of single and multiple balls. Comparisons with data from our August shots will be made.

  19. Introduction to gauge theories of the strong, weak, and electromagnetic interactions

    International Nuclear Information System (INIS)

    Quigg, C.

    1980-07-01

    The plan of these notes is as follows. Chapter 1 is devoted to a brief evocative review of current beliefs and prejudices that form the context for the discussion to follow. The idea of Gauge Invariance is introduced in Chapter 2, and the connection between conservation laws and symmetries of the Lagrangian is recalled. Non-Abelian gauge field theories are constructed in Chapter 3, by analogy with the familiar case of electromagnetism. The Yang-Mills theory based upon isospin symmetry is constructed explicitly, and the generalization is made to other gauge groups. Chapter 4 is concerned with spontaneous symmetry breaking and the phenomena that occur in the presence or absence of local gauge symmetries. The existence of massless scalar fields (Goldstone particles) and their metamorphosis by means of the Higgs mechanism are illustrated by simple examples. The Weinberg-Salam model is presented in Chapter 5, and a brief resume of applications to experiment is given. Quantum Chromodynamics, the gauge theory of colored quarks and gluons, is developed in Chapter 6. Asymptotic freedom is derived schematically, and a few simple applications of perturbative QCD ae exhibited. Details of the conjectured confinement mechanism are omitted. The strategy of grand unified theories of the strong, weak, and electromagnetic interactions is laid out in Chapter 7. Some properties and consequences of the minimal unifying group SU(5) are presented, and the gauge hierarchy problem is introduced in passing. The final chapter contains an essay on the current outlook: aspirations, unanswered questions, and bold scenarios

  20. Parametric analysis of the thermodynamic properties for a medium with strong interaction between particles

    International Nuclear Information System (INIS)

    Dubovitskii, V.A.; Pavlov, G.A.; Krasnikov, Yu.G.

    1996-01-01

    Thermodynamic analysis of media with strong interparticle (Coulomb) interaction is presented. A method for constructing isotherms is proposed for a medium described by a closed multicomponent thermodynamic model. The method is based on choosing an appropriate nondegenerate frame of reference in the extended space of thermodynamic variables and provides efficient thermodynamic calculations in a wide range of parameters, for an investigation of phase transitions of the first kind, and for determining both the number of phases and coexistence curves. A number of approximate thermodynamic models of hydrogen plasma are discussed. The approximation corresponding to the n5/2 law, in which the effects of particle attraction and repulsion are taken into account qualitatively, is studied. This approximation allows studies of thermodynamic properties of a substance for a wide range of parameters. In this approximation, for hydrogen at a constant temperature, various properties of the degree of ionization are revealed. In addition, the parameters of the second critical point are found under conditions corresponding to the Jovian interior

  1. Heat capacity effects associated with the hydrophobic hydration and interaction of simple solutes: a detailed structural and energetical analysis based on molecular dynamics simulations.

    Science.gov (United States)

    Paschek, Dietmar

    2004-06-08

    We examine the SPCE [H. J. C. Berendsen et al., J. Chem. Phys. 91, 6269 (1987)] and TIP5P [M. W. Mahoney and W. L. Jorgensen, J. Chem. Phys 112, 8910 (2000)] water models using a temperature series of molecular-dynamics simulations in order to study heat-capacity effects associated with the hydrophobic hydration and interaction of xenon particles. The temperature interval between 275 and 375 K along the 0.1-MPa isobar is studied. For all investigated models and state points we calculate the excess chemical potential for xenon employing the Widom particle insertion technique. The solvation enthalpy and excess heat capacity is obtained from the temperature dependence of the chemical potentials and, alternatively, directly by Ewald summation, as well as a reaction field based method. All three methods provide consistent results. In addition, the reaction field technique allows a separation of the solvation enthalpy into solute/solvent and solvent/solvent parts. We find that the solvent/solvent contribution to the excess heat capacity is dominating, being about one order of magnitude larger than the solute/solvent part. This observation is attributed to the enlarged heat capacity of the water molecules in the hydration shell. A detailed spatial analysis of the heat capacity of the water molecules around a pair of xenon particles at different separations reveals that even more enhanced heat capacity of the water located in the bisector plane between two adjacent xenon atoms is responsible for the maximum of the heat capacity found for the desolvation barrier distance, recently reported by Shimizu and Chan [J. Am. Chem. Soc. 123, 2083 (2001)]. The about 60% enlarged heat capacity of water in the concave part of the joint xenon-xenon hydration shell is the result of a counterplay of strengthened hydrogen bonds and an enhanced breaking of hydrogen bonds with increasing temperature. Differences between the two models with respect to the heat capacity in the xenon

  2. Theory and phenomenology of strong and weak interaction high energy physics: Progress report, May 1, 1987-April 30, 1988

    International Nuclear Information System (INIS)

    Carruthers, P.; Thews, R.L.

    1988-01-01

    This paper contains progress information on the following topics in High Energy Physics: strong, electromagnetic, and weak interactions; aspects of quark-gluon models for hadronic interactions, decays, and structure; the dynamical generation of a mass gap and the role and truthfulness of perturbation theory; statistical and dynamical aspects of hadronic multiparticle production; and realization of chiral symmetry and temperature effects in supersymmetric theories

  3. A Unified Theory of Interaction: Gravitation, Electrodynamics and the Strong Force

    Directory of Open Access Journals (Sweden)

    Wagener P.

    2009-01-01

    Full Text Available A unified model of gravitation and electromagnetism is extended to derive the Yukawa potential for the strong force. The model satisfies the fundamental characteristics of the strong force and calculates the mass of the pion.

  4. Molecular explanation for why talc surfaces can be both hydrophilic and hydrophobic.

    Science.gov (United States)

    Rotenberg, Benjamin; Patel, Amish J; Chandler, David

    2011-12-21

    While individual water molecules adsorb strongly on a talc surface (hydrophilic behavior), a droplet of water beads up on the same surface (hydrophobic behavior). To rationalize this dichotomy, we investigated the influence of the microscopic structure of the surface and the strength of adhesive (surface-water) interactions on surface hydrophobicity. We have shown that at low relative humidity, the competition between adhesion and the favorable entropy of being in the vapor phase determines the surface coverage. However, at saturation, it is the competition between adhesion and cohesion (water-water interactions) that determines the surface hydrophobicity. The adhesive interactions in talc are strong enough to overcome the unfavorable entropy, and water adsorbs strongly on talc surfaces. However, they are too weak to overcome the cohesive interactions, and water thus beads up on talc surfaces. Surprisingly, even talc-like surfaces that are highly adhesive do not fully wet at saturation. Instead, a water droplet forms on top of a strongly adsorbed monolayer of water. Our results imply that the interior of hydrophobic zeolites suspended in water may contain adsorbed water molecules at pressures much lower than the intrusion pressure. © 2011 American Chemical Society

  5. I.I. Rabi in Atomic, Molecular & Optical Physics Prize Talk: Strongly Interacting Fermi Gases of Atoms and Molecules

    Science.gov (United States)

    Zwierlein, Martin

    2017-04-01

    Strongly interacting fermions govern physics at all length scales, from nuclear matter to modern electronic materials and neutron stars. The interplay of the Pauli principle with strong interactions can give rise to exotic properties that we do not understand even at a qualitative level. In recent years, ultracold Fermi gases of atoms have emerged as a new type of strongly interacting fermionic matter that can be created and studied in the laboratory with exquisite control. Feshbach resonances allow for unitarity limited interactions, leading to scale invariance, universal thermodynamics and a superfluid phase transition already at 17 Trapped in optical lattices, fermionic atoms realize the Fermi-Hubbard model, believed to capture the essence of cuprate high-temperature superconductors. Here, a microscope allows for single-atom, single-site resolved detection of density and spin correlations, revealing the Pauli hole as well as anti-ferromagnetic and doublon-hole correlations. Novel states of matter are predicted for fermions interacting via long-range dipolar interactions. As an intriguing candidate we created stable fermionic molecules of NaK at ultralow temperatures featuring large dipole moments and second-long spin coherence times. In some of the above examples the experiment outperformed the most advanced computer simulations of many-fermion systems, giving hope for a new level of understanding of strongly interacting fermions.

  6. Multivariate analysis of hydrophobic descriptors

    Directory of Open Access Journals (Sweden)

    Stefan Dove

    2014-04-01

    Full Text Available Multivariate approaches like principal component analysis (PCA are powerful tools to investigate hydrophobic descriptors and to discriminate between intrinsic hydrophobicity and polar contributions as hydrogen bonds and other electronic effects. PCA of log P values measured for 37 solutes in eight solvent-water systems and of hydrophobic octanol-water substituent constants p for 25 meta- and para-substituents from seven phenyl series were performed (re-analysis of previous work. In both cases, the descriptors are repro­duced within experimental errors by two principal components, an intrinsic hydrophobic component and a second component accounting for differences between the systems due to electronic interactions. Underlying effects were identified by multiple linear regression analysis. Log P values depend on the water solubility of the solvents and hydrogen bonding capabilities of both the solute and the solvents. Results indicate different impacts of hydrogen bonds in nonpolar and polar solvent-water systems on log P and their dependence on isotropic and hydrated surface areas. In case of the p-values, the second component (loadings and scores correlates with electronic substituent constants. More detailed analysis of the data as p-values of disubstituted benzenes XPhY has led to extended symmetric bilinear Hammett-type models relating interaction increments to cross products pX sY, pY sX and sX sY which are mainly due to mutual effects on hydrogen-bonds with octanol.

  7. Proceedings of the 24. SLAC summer institute on particle physics: The strong interaction, from hadrons to partons

    Energy Technology Data Exchange (ETDEWEB)

    Chan, J.; DePorcel, L.; Dixon, L. [eds.

    1997-06-01

    This conference explored the role of the strong interaction in the physics of hadrons and partons. The Institute attracted 239 physicists from 16 countries to hear lectures on the underlying theory of Quantum Chromodynamics, modern theoretical calculational techniques, and experimental investigation of the strong interaction as it appears in various phenomena. Different regimes in which one can calculate reliably in QCD were addressed in series of lectures on perturbation theory, lattice gauge theories, and heavy quark expansions. Studies of QCD in hadron-hadron collisions, electron-positron annihilation, and electron-proton collisions all give differing perspectives on the strong interaction--from low-x to high-Q{sup 2}. Experimental understanding of the production and decay of heavy quarks as well as the lighter meson states has continued to evolve over the past years, and these topics were also covered at the School. Selected papers have been indexed separately for inclusion in the Energy Science and Technology Database.

  8. Experimental, theoretical, and mathematical elements for a possible Lie-admissible generalization of the notion of particle under strong interactions

    International Nuclear Information System (INIS)

    Santilli, R.M.

    1981-01-01

    A primary objective of the research is the achievement of clear experimental knowledge on the intrinsic characteristics of particles (such as magnetic moment, spin, space parity, etc.) under strong interactions. These characteristics, when known, have been measured a number of times, but all times for particles under long range electromagnetic interactions (e.g., for bubble chamber techniques). The same characteristics are then generally assumed to persist under the different physical conditions of the strong interactions, while no direct or otherwise final measurement under strong interactions exists at this time. The advocated physical knowledge is clearly important for controlled fusion, as well as for a serious study of the foundations of strong interactions. The paper initiates the study by considering the following alternatives. A: the electromagnetic characteristics of particles persist in the transition to the strong; or B: variations in these characteristics are physically conceivable, mathematically treatable, and experimentally detectable. The need to conduct additional experiments, and achieve a final resolution of the issue, is stressed throughout the paper. In the hope of contributing toward this future goal, the paper then reviews the quantitative treatment of possible deviations via the Lie-admissible generalization of Lie's theory, with particular reference to the Lie-admissible generalizations of Lie group, Lie algebras, and enveloping associative algebras. A generalized notion of extended particle under nonlocal nonpotential strong interactions emerge from these studies. The theory is applied to the re-elaboration of the data on the spinor symmetry via neutron interferometers. It is shown that the data are indeed consistent with a breaking of the SU(2)-spin symmetry due to nonlocal nonpotential forces. A number of experiments for the future resolution of the issue are indicated

  9. Interaction of the electromagnetic precursor from a relativistic shock with the upstream flow - I. Synchrotron absorption of strong electromagnetic waves

    Science.gov (United States)

    Lyubarsky, Yuri

    2018-02-01

    This paper is the first in the series of papers aiming to study interaction of the electromagnetic precursor waves generated at the front of a relativistic shock with the upstream flow. It is motivated by a simple consideration showing that the absorption of such an electromagnetic precursor could yield an efficient transformation of the kinetic energy of the upstream flow to the energy of accelerated particles. Taking into account that the precursor is a strong wave, in which electrons oscillate with relativistic velocities, the standard plasma-radiation interaction processes should be reconsidered. In this paper, I calculate the synchrotron absorption of strong electromagnetic waves.

  10. Particle size, surface hydrophobicity and interaction with serum of parenteral fat emulsions and model drug carriers as parameters related to RES uptake.

    Science.gov (United States)

    Carrstensen, H; Müller, R H; Müller, B W

    1992-10-01

    Fat emulsions for parenteral nutrition, stabilized by egg lecithin, were characterized in terms of parameters relevant to uptake by the reticuloendothelial system (RES), e.g. size distribution, surface hydrophobicity and adsorption of serum components as a measure of the degree of opsonization. Adsorption of serum components was quantified by zeta potential measurement. Fat emulsions for nutrition were compared with emulsions used for drug delivery and model drug carries for intravenous injection. The emulsions for drug delivery were stabilized by the blockcopolymers Poloxamer 188 and 407 (Pluronic F68 and F127) and Poloxamine 908. Model drug carriers were hydrophobic and hydrophilic polystyrene latex particles. Hydrophilic particles were prepared by adsorption of Poloxamine 908 (coating) onto the particle surface. The hydrophobicity and serum protein adsorption decreased from hydrophobic latex particles to egg lecithin emulsions and blockcopolymer emulsions and particles. The data correlated with that in the literature concerning liver uptake in vivo showing complete RES clearance of hydrophobic latex particles, reduced uptake of egg lecithin emulsions and avoidance of RES uptake by Poloxamine 908 coated particles.

  11. The significance of a new correspondence principle for electromagnetic interaction in strong optical field ionisation

    International Nuclear Information System (INIS)

    Boreham, B. W.; Hora, H.

    1997-01-01

    We have recently developed a correspondence principle for electromagnetic interaction. When applied to laser interactions with electrons this correspondence principle identifies a critical laser intensity I*. This critical intensity is a transition intensity separating classical mechanical and quantum mechanical interaction regimes. In this paper we discuss the further application of I* to the interaction of bound electrons in atoms. By comparing I* with the ionisation threshold intensities as calculated from a cycle-averaged simple-atom model we conclude that I* can be usefully interpreted as a lower bound to the classical regime in studies of ionisation of gas atoms by intense laser beams

  12. Hydrophobicity of carbohydrates and related hydroxy compounds.

    Science.gov (United States)

    Buttersack, Christoph

    2017-06-29

    The hydrophobic interaction of carbohydrates and other hydroxy compounds with a C18-modified silica gel column was measured with pure water as eluent, thereby expanding the range of measurements already published. The interaction is augmented by structure strengthening salts and decreasing temperature. Although the interaction of the solute with the hydrophobic interface is expected to only imperfectly reflect its state in aqueous bulk solution, the retention can be correlated to hydration numbers calculated from molecular mechanics studies given in the literature. No correlation can be established towards published hydration numbers obtained by physical methods (isentropic compressibility, O-17 NMR relaxation, terahertz spectroscopy, and viscosity). The hydrophobicity is discussed with respect to the chemical structure. It increases with the fraction and size of hydrophobic molecular surface regions. Copyright © 2017 Elsevier Ltd. All rights reserved.

  13. Uncovering new strong dynamics via topological interactions at the 100 TeV collider

    DEFF Research Database (Denmark)

    Molinaro, Emiliano; Sannino, Francesco; Thomsen, Anders Eller

    2017-01-01

    In models of composite Higgs dynamics, new composite pseudoscalars can interact with the Higgs and electroweak gauge bosons via anomalous interactions, stemming from the topological sector of the underlying theory. We show that a future 100 TeV proton-proton collider (FCC-pp) will be able to test...

  14. The Influence of Interaction between Hydrophobic Stearate and Pozzolanic Additive on Hygric Transport and Storage Properties of Lime-based Plaster

    Directory of Open Access Journals (Sweden)

    Radka PERNICOVA

    2018-02-01

    Full Text Available In this paper water transport and storage parameters of hydrophobic plasters are studies. This article is focused on behavior of water and its degradation process inside of material matrix. Most of physic-chemical deteriorations of building materials are related to the penetration of moisture into building structure. For higher resistance of penetration water into materials, hydrophobic additions are used. Especially inner hydrophobic additive was applied to the interior structure to reduce destructive effect of water. Water storage parameters are slightly better for plaster without hydrophobisation. However, from the quantitative point of view the difference was not so important. Comparative measurements with pure lime-metakaolin plaster were done as well.DOI: http://dx.doi.org/10.5755/j01.ms.24.1.17876

  15. Scale-up of Λ3 : Massive gravity with a higher strong interaction scale

    Science.gov (United States)

    Gabadadze, Gregory

    2017-10-01

    Pure massive gravity is strongly coupled at a certain low scale, known as Λ3. I show that the theory can be embedded into another one, with new light degrees of freedom, to increase the strong scale to a significantly larger value. Certain universal aspects of the proposed mechanism are discussed, notably that the coupling of the longitudinal mode to a stress tensor is suppressed, thus making the linear theory consistent with the fifth-force exclusion. An example of the embedding theory studied in detail is five-dimensional anti-de Sitter massive gravity, with a large cosmological constant. In this example, the four-dimensional (4D) strong scale can be increased by 19 orders of magnitude. Holographic duality then suggests that the strong scale of the 4D massive gravity can be increased by coupling it to a 4D nonlocal conformal field theory, endowed with a UV cutoff; however, the five-dimensional classical gravity picture appears to be more tractable.

  16. Strong CH/O interactions between polycyclic aromatic hydrocarbons and water: Influence of aromatic system size.

    Science.gov (United States)

    Veljković, Dušan Ž

    2018-03-01

    Energies of CH/O interactions between water molecule and polycyclic aromatic hydrocarbons with a different number of aromatic rings were calculated using ab initio calculations at MP2/cc-PVTZ level. Results show that an additional aromatic ring in structure of polycyclic aromatic hydrocarbons significantly strengthens CH/O interactions. Calculated interaction energies in optimized structures of the most stable tetracene/water complex is -2.27 kcal/mol, anthracene/water is -2.13 kcal/mol and naphthalene/water is -1.97 kcal/mol. These interactions are stronger than CH/O contacts in benzene/water complex (-1.44 kcal/mol) while CH/O contacts in tetracene/water complex are even stronger than CH/O contacts in pyridine/water complexes (-2.21 kcal/mol). Electrostatic potential maps for different polycyclic aromatic hydrocarbons were calculated and used to explain trends in the energies of interactions. Copyright © 2017 Elsevier Inc. All rights reserved.

  17. Metal-insulator transition in SrIrO3 with strong spin-orbit interaction.

    Science.gov (United States)

    Wu, Fei-Xiang; Zhou, Jian; Zhang, L Y; Chen, Y B; Zhang, Shan-Tao; Gu, Zheng-Bin; Yao, Shu-Hua; Chen, Yan-Feng

    2013-03-27

    The thickness-dependent metal-insulator transition is observed in meta-stable orthorhombic SrIrO3 thin films synthesized by pulsed laser deposition. SrIrO3 films with thicknesses less than 3 nm demonstrate insulating behaviour, whereas those thicker than 4 nm exhibit metallic conductivity at high temperature, and insulating-like behaviour at low temperature. Weak/Anderson localization is mainly responsible for the observed thickness-dependent metal-insulator transition in SrIrO3 films. Temperature-dependent resistance fitting shows that electrical-conductivity carriers are mainly scattered by the electron-boson interaction rather than the electron-electron interaction. Analysis of the magneto-conductance proves that the spin-orbit interaction plays a crucial role in the magneto-conductance property of SrIrO3.

  18. Strongly interacting vector bosons at the CERN LHC Quartic anomalous couplings

    CERN Document Server

    Belyaev, A; González-Garciá, M Concepción; Mizukoshi, J K; Novaes, S F; Zacharov, I E

    1999-01-01

    We analyze the potential of the CERN Large Hadron Collider to study anomalous quartic vector--boson interactions through the production of vector--boson pairs accompanied by jets. In the framework of $SU(2)_L \\otimes U(1)_Y$ chiral Lagrangians, we examine all effective operators of order $p^4$ that lead to new four--gauge--boson interactions but do not alter trilinear vertices. In our analyses, we perform the full tree level calculation of the processes leading to two jets plus vector--boson pairs, $W^+W^-$, $W^\\pm W^\\pm$, $W^\\pm Z$, or $ZZ$, taking properly into account the interference between the standard model and the anomalous contributions. We obtain the bounds that can be placed on the anomalous quartic interactions and we study the strategies to distinguish the possible new couplings.

  19. A model-independent description of few-body system with strong interaction

    International Nuclear Information System (INIS)

    Simenog, I.V.

    1985-01-01

    In this contribution, the authors discuss the formulation of equations that provide model-independent description of systems of three and more nucleons irrespective of the details of the interaction, substantiate the approach, estimate the correction terms with respect to the force range, and give basic qualitative results obtained by means of the model-independent procedure. They consider three nucleons in the doublet state (spin S=I/2) taking into account only S-interaction. The elastic nd-scattering amplitude may be found from the model-independent equations that follow from the Faddeev equations in the short-range-force limit. They note that the solutions of several model-independent equations and basic results obtained with the use of this approach may serve both as a standard solution and starting point in the discussion of various conceptions concerning the details of nuclear interactions

  20. The strong interaction at the collider and cosmic-rays frontiers

    CERN Document Server

    d'Enterria, David; Pierog, Tanguy; Ostapchenko, Sergey; Werner, Klaus

    2012-01-01

    First data on inclusive particle production measured in proton-proton collisions at the Large Hadron Collider (LHC) are compared to predictions of various hadron-interaction Monte Carlos (QGSJET, EPOS and SIBYLL) used commonly in high-energy cosmic-ray physics. While reasonable overall agreement is found for some of the models, none of them reproduces consistently the sqrt(s) evolution of all the measured observables. We discuss the implications of the new LHC data for the modeling of the non-perturbative and semihard parton dynamics in hadron-hadron and cosmic-rays interactions at the highest energies studied today.

  1. Potential of future seismogenesis in Hebei Province (NE China) due to stress interactions between strong earthquakes

    Science.gov (United States)

    Karakostas, Vassilios; Papadimitriou, Eleftheria; Jin, Xueshen; Liu, Zhihui; Paradisopoulou, Parthena; He, Zhang

    2013-10-01

    Northeast China, a densely populated area, is affected by intense seismic activity, which includes large events that caused extensive disaster and tremendous loss of life. For contributing to the continuous efforts for seismic hazard assessment, the earthquake potential from the active faults near the cities of Zhangjiakou and Langfang in Hebei Province is examined. We estimate the effect of the coseismic stress changes of strong (M ⩾ 5.0) earthquakes on the major regional active faults, and mapped Coulomb stress change onto these target faults. More importantly our calculations reveal that positive stress changes caused by the largest events of the 1976 Tangshan sequence make the Xiadian and part of Daxing fault, thus considered the most likely sites of the next strong earthquake in the study area. The accumulated static stress changes that reached a value of up to 0.4 bar onto these faults, were subsequently incorporated in earthquake probability estimates for the next 30 years.

  2. Spectral asymptotics of a strong delta ' interaction on a planar loop

    Czech Academy of Sciences Publication Activity Database

    Exner, Pavel; Jex, M.

    2013-01-01

    Roč. 46, č. 34 (2013), s. 345201 ISSN 1751-8113 R&D Projects: GA ČR GAP203/11/0701 Institutional support: RVO:61389005 Keywords : Schrodinger operators * strong coupling asymptotics Subject RIV: BE - Theoretical Physics Impact factor: 1.687, year: 2013 http://iopscience.iop.org/1751-8121/46/34/345201/pdf/1751-8121_46_34_345201.pdf

  3. Increasing prion propensity by hydrophobic insertion.

    Directory of Open Access Journals (Sweden)

    Aaron C Gonzalez Nelson

    Full Text Available Prion formation involves the conversion of proteins from a soluble form into an infectious amyloid form. Most yeast prion proteins contain glutamine/asparagine-rich regions that are responsible for prion aggregation. Prion formation by these domains is driven primarily by amino acid composition, not primary sequence, yet there is a surprising disconnect between the amino acids thought to have the highest aggregation propensity and those that are actually found in yeast prion domains. Specifically, a recent mutagenic screen suggested that both aromatic and non-aromatic hydrophobic residues strongly promote prion formation. However, while aromatic residues are common in yeast prion domains, non-aromatic hydrophobic residues are strongly under-represented. Here, we directly test the effects of hydrophobic and aromatic residues on prion formation. Remarkably, we found that insertion of as few as two hydrophobic residues resulted in a multiple orders-of-magnitude increase in prion formation, and significant acceleration of in vitro amyloid formation. Thus, insertion or deletion of hydrophobic residues provides a simple tool to control the prion activity of a protein. These data, combined with bioinformatics analysis, suggest a limit on the number of strongly prion-promoting residues tolerated in glutamine/asparagine-rich domains. This limit may explain the under-representation of non-aromatic hydrophobic residues in yeast prion domains. Prion activity requires not only that a protein be able to form prion fibers, but also that these fibers be cleaved to generate new independently-segregating aggregates to offset dilution by cell division. Recent studies suggest that aromatic residues, but not non-aromatic hydrophobic residues, support the fiber cleavage step. Therefore, we propose that while both aromatic and non-aromatic hydrophobic residues promote prion formation, aromatic residues are favored in yeast prion domains because they serve a dual

  4. Strong indirect interactions of Tarsonemus mites (Acarina: Tarsonemidae) and Dendroctonus frontalis (Coleoptera: Scolytidae)

    Science.gov (United States)

    Maria J. Lombardero; Matthew P. Ayres; Richard W. Hofstetter; John C. Moser; Kier D. Lepzig

    2003-01-01

    Phoretic mites of bark beetles are classic examples of commensal ectosymbionts. However, many such mites appear to have mutualisms with fungi that could themselves interact with beetles. We tested for indirect effects of phoretic mites on Dendroctonus frontalis, which auacks and kills pine trees in North America. Tarsonemus mites...

  5. Numerical investigation into strong axis bending shear interaction in rolled I-shaped steel sections

    NARCIS (Netherlands)

    Dekker, R.W.A.; Snijder, B.H.; Maljaars, J.

    2016-01-01

    Clause 6.2.8 of EN 1993-1-1 covers the design rules on bending-shear resistance, taking presence of shear into account by a reduced yield stress for the shear area. Numerical research on bending-shear interaction by means of the Abaqus Finite Element modelling soft-ware is presented. The numerical

  6. When polarons meet polaritons: Exciton-vibration interactions in organic molecules strongly coupled to confined light fields

    Science.gov (United States)

    Wu, Ning; Feist, Johannes; Garcia-Vidal, Francisco J.

    2016-11-01

    We present a microscopic semianalytical theory for the description of organic molecules interacting strongly with a cavity mode. Exciton-vibration coupling within the molecule and exciton-cavity interaction are treated on an equal footing by employing a temperature-dependent variational approach. The interplay between strong exciton-vibration coupling and strong exciton-cavity coupling gives rise to a hybrid ground state, which we refer to as the lower polaron polariton. Explicit expressions for the ground-state wave function, the zero-temperature quasiparticle weight of the lower polaron polariton, the photoluminescence line strength, and the mean number of vibrational quanta are obtained in terms of the optimal variational parameters. The dependence of these quantities upon the exciton-cavity coupling strength reveals that strong cavity coupling leads to an enhanced vibrational dressing of the cavity mode, and at the same time a vibrational decoupling of the dark excitons, which in turn results in a lower polaron polariton resembling a single-mode dressed bare lower polariton in the strong-coupling regime. Thermal effects on several observables are briefly discussed.

  7. Studies on the independence of the strong interactions on the flavor quantum numbers with bottom, charm, strange, and light quarks

    International Nuclear Information System (INIS)

    Biebel, O.

    1993-11-01

    A study of possible flavour dependence of the strong interaction is presented using data collected with the OPAL detector at the e + e - collider LEP. Four subsamples of events, highly enriched in bottom, charm, strange and light quarks are obtained from high momentum electrons and muons, D *± mesons, K s 0 mesons, and highly energetic stable charged particles, respectively. From the jet production rates of each of these four samples a strong coupling constant α s f for the dominant quark flavour is derived. The ratios of α s for a specific quark flavour f and its complementary flavours are determined to be α s b /α s udsc =1.017±0.036, α s c /α s udsb =0.918±0.115, α s s /α s udcb =1.158±0.164, α s uds /α s cb =1.038 ± 0.221, where the errors are combinations of statistical and systematic uncertainties. In combining the relevant data samples, a systematic study of possible dependence of the strong interaction on quark mass, weak isospin, and generation is performed. No evidence for any such dependence of the strong coupling constant α s is observed. Finally all samples are combined to determine the strong coupling constant of each flavour individually. Again the results are well consistent with the flavour independence of QCD. (orig.)

  8. Strong electron-phonon interaction in the high-Tc superconductors: Evidence from the infrared

    International Nuclear Information System (INIS)

    Timusk, T.; Porter, C.D.; Tanner, D.B.

    1991-01-01

    We show that low-frequency structure in the infrared reflectance of the high-temperature superconductor YBa 2 Cu 3 O 7 results from the electron-phonon interaction. Characteristic antiresonant line shapes are seen in the phonon region of the spectrum and the frequency-dependent scattering rate of the mid-infrared electronic continuum has peaks at 150 cm -1 (19 meV) and at 360 cm -1 (45 meV) in good agreement with phonon density-of-states peaks in neutron time-of-flight spectra that develop in superconducting samples. The interaction between the phonons and the charge carriers can be understood in terms of a charged-phonon model

  9. Application of the CIP Method to Strongly Nonlinear Wave-Body Interaction Problems

    OpenAIRE

    Zhu, Xinying

    2006-01-01

    Water entry and exit, green water on deck, sloshing in tanks and capsizing in intact and damaged conditions are examples on violent fluid motion. The combination of model tests, theoretical analysis and Computational Fluid Dynamics (CFD) methods is emphasized in treating these problems. Because mixing of air and liquid may occur, the interaction between the flow in the air and in the liquid ought to be considered in numerical simulations. Further, the mixing of air and liquid represents a sca...

  10. On the starting process of strongly nonlinear vortex/Rayleigh-wave interactions

    OpenAIRE

    BROWN, P. G.; BROWN, S. N.; SMITH, F. T.; TIMOSHIN, S. N.

    1993-01-01

    An oncoming two-dimensional laminar boundary layer that develops an unstable inflection point and becomes three-dimensional is described by the Hall-Smith (1991) vortex/wave interaction equations. These equations are now examined in the neighbourhood of the position where the critical surface starts to form. A consistent structure is established in which an inviscid core flow is matched to a viscous buffer-layer solution where the appropriate jump condition on the transverse shear stress is s...

  11. Second sound in a two-dimensional Bose gas: From the weakly to the strongly interacting regime

    Science.gov (United States)

    Ota, Miki; Stringari, Sandro

    2018-03-01

    Using Landau's theory of two-fluid hydrodynamics, we investigate first and second sounds propagating in a two-dimensional (2D) Bose gas. We study the temperature and interaction dependence of both sound modes and show that their behavior exhibits a deep qualitative change as the gas evolves from the weakly interacting to the strongly interacting regime. Special emphasis is placed on the jump of both sounds at the Berezinskii-Kosterlitz-Thouless transition, caused by the discontinuity of the superfluid density. We find that the excitation of second sound through a density perturbation becomes weaker and weaker as the interaction strength increases as a consequence of the decrease in the thermal expansion coefficient. Our results could be relevant for future experiments on the propagation of sound on the Bose-Einstein condensate (BEC) side of the BCS-BEC crossover of a 2D superfluid Fermi gas.

  12. Renormalization-Group Transformations Under Strong Mixing Conditions: Gibbsianness and Convergence of Renormalized Interactions

    Science.gov (United States)

    Bertini, Lorenzo; Cirillo, Emilio N. M.; Olivieri, Enzo

    1999-12-01

    In this paper we study a renormalization-group map: the block averaging transformation applied to Gibbs measures relative to a class of finite-range lattice gases, when suitable strong mixing conditions are satisfied. Using a block decimation procedure, cluster expansion, and detailed comparison between statistical ensembles, we are able to prove Gibbsianness and convergence to a trivial (i.e., Gaussian and product) fixed point. Our results apply to the 2D standard Ising model at any temperature above the critical one and arbitrary magnetic field.

  13. CLEO-c and CESR-c: A new frontier in strong and weak interactions

    Energy Technology Data Exchange (ETDEWEB)

    Richichi, Stephen J

    2003-06-01

    We report on the physics potential of a charm and QCD factory, based on a proposal for the conversion of the existing CESR machine and CLEO detector: ''CESR-c and OLEO-c''. Such a facility will make major contributions to the field of quark flavor physics in this decade. It may also provide the best chance for understanding non-perturbative QCD, which is essential to understanding the strongly-coupled sectors of the new physics that lies beyond the Standard Model.

  14. CLEO-c and CESR-c: A new frontier in strong and weak interactions

    Science.gov (United States)

    Richichi, Stephen J.

    2003-06-01

    We report on the physics potential of a charm and QCD factory, based on a proposal for the conversion of the existing CESR machine and CLEO detector: "CESR-c and OLEO-c". Such a facility will make major contributions to the field of quark flavor physics in this decade. It may also provide the best chance for understanding non-perturbative QCD, which is essential to understanding the strongly-coupled sectors of the new physics that lies beyond the Standard Model.

  15. CLEO-c and CESR-c: A new frontier in strong and weak interactions

    International Nuclear Information System (INIS)

    Richichi, Stephen J.

    2003-01-01

    We report on the physics potential of a charm and QCD factory, based on a proposal for the conversion of the existing CESR machine and CLEO detector: ''CESR-c and OLEO-c''. Such a facility will make major contributions to the field of quark flavor physics in this decade. It may also provide the best chance for understanding non-perturbative QCD, which is essential to understanding the strongly-coupled sectors of the new physics that lies beyond the Standard Model

  16. Final Report - Composite Fermion Approach to Strongly Interacting Quasi Two Dimensional Electron Gas Systems

    Energy Technology Data Exchange (ETDEWEB)

    Quinn, John

    2009-11-30

    Work related to this project introduced the idea of an effective monopole strength Q* that acted as the effective angular momentum of the lowest shell of composite Fermions (CF). This allowed us to predict the angular momentum of the lowest band of energy states for any value of the applied magnetic field simply by determining N{sub QP} the number of quasielectrons (QE) or quasiholes (QH) in a partially filled CF shell and adding angular momenta of the N{sub QP} Fermions excitations. The approach reported treated the filled CF level as a vacuum state which could support QE and QH excitations. Numerical diagonalization of small systems allowed us to determine the angular momenta, the energy, and the pair interaction energies of these elementary excitations. The spectra of low energy states could then be evaluated in a Fermi liquid-like picture, treating the much smaller number of quasiparticles and their interactions instead of the larger system of N electrons with Coulomb interactions.

  17. Strong electromagnetic pulses generated in high-intensity laser-matter interactions

    Science.gov (United States)

    Rączka, P.; Dubois, J.-L.; Hulin, S.; Rosiński, M.; Zaraś-Szydłowska, A.; Badziak, J.

    2018-01-01

    Results are reported of an experiment performed at the Eclipse laser facility in CELIA, Bordeaux, on the generation of strong electromagnetic pulses. Measurements were performed of the target neutralization current, the total target charge and the tangential component of the magnetic field for the laser energies ranging from 45 mJ to 92 mJ with the pulse duration approximately 40 fs, and for the pulse durations ranging from 39 fs to 1000 fs, with the laser energy approximately 90 mJ. It was found that the values obtained for thick (mm scale) Cu targets are visibly higher than values reported in previous experiments, which is argued to be a manifestation of a strong dependence of the target electric polarization process on the laser contrast and hence on the amount of preplasma. It was also found that values obtained for thin (μm scale) Al foils were visibly higher than values for thick Cu targets, especially for pulse durations longer than 100 fs. The correlations between the total target charge versus the maximum value of the target neutralization current, and the maximum value of the tangential component of the magnetic field versus the total target charge were analysed. They were found to be in very good agreement with correlations seen in data from previous experiments, which provides a good consistency check on our experimental procedures.

  18. Metastability and avalanche dynamics in strongly correlated gases with long-range interactions

    Science.gov (United States)

    Hruby, Lorenz; Dogra, Nishant; Landini, Manuele; Donner, Tobias; Esslinger, Tilman

    2018-03-01

    We experimentally study the stability of a bosonic Mott insulator against the formation of a density wave induced by long-range interactions and characterize the intrinsic dynamics between these two states. The Mott insulator is created in a quantum degenerate gas of 87-Rubidium atoms, trapped in a 3D optical lattice. The gas is located inside and globally coupled to an optical cavity. This causes interactions of global range, mediated by photons dispersively scattered between a transverse lattice and the cavity. The scattering comes with an atomic density modulation, which is measured by the photon flux leaking from the cavity. We initialize the system in a Mott-insulating state and then rapidly increase the global coupling strength. We observe that the system falls into either of two distinct final states. One is characterized by a low photon flux, signaling a Mott insulator, and the other is characterized by a high photon flux, which we associate with a density wave. Ramping the global coupling slowly, we observe a hysteresis loop between the two states—a further signature of metastability. A comparison with a theoretical model confirms that the metastability originates in the competition between short- and global-range interactions. From the increasing photon flux monitored during the switching process, we find that several thousand atoms tunnel to a neighboring site on the timescale of the single-particle dynamics. We argue that a density modulation, initially forming in the compressible surface of the trapped gas, triggers an avalanche tunneling process in the Mott-insulating region.

  19. Relaxation of strongly coupled Coulomb systems after rapid changes of the interaction potential

    CERN Document Server

    Gericke, D O; Semkat, D; Bonitz, M; Kremp, D

    2003-01-01

    The relaxation of charged particle systems after sudden changes of the pair interaction strength is investigated. As examples, we show the results for plasmas after ionization and after a rapid change of screening. Comparisons are made between molecular dynamics simulation and a kinetic description based on the Kadanoff-Baym equations. We found the latter very sensitive to the way the scattering cross section is treated. We also predict the new equilibrium state requiring only conservation of energy. In this case, the correlation energy is computed using the hypernetted chain approximation.

  20. Stability condition of a strongly interacting boson-fermion mixture across an interspecies Feshbach resonance

    International Nuclear Information System (INIS)

    Yu Zengqiang; Zhai Hui; Zhang Shizhong

    2011-01-01

    We study the properties of dilute bosons immersed in a single-component Fermi sea across a broad boson-fermion Feshbach resonance. The stability of the mixture requires that the bare interaction between bosons exceeds a critical value, which is a universal function of the boson-fermion scattering length, and exhibits a maximum in the unitary region. We calculate the quantum depletion, momentum distribution, and the boson contact parameter across the resonance. The transition from condensate to molecular Fermi gas is also discussed.

  1. Communication: An adaptive configuration interaction approach for strongly correlated electrons with tunable accuracy

    Energy Technology Data Exchange (ETDEWEB)

    Schriber, Jeffrey B.; Evangelista, Francesco A. [Department of Chemistry and Cherry L. Emerson Center for Scientific Computation, Emory University, Atlanta, Georgia 30322 (United States)

    2016-04-28

    We introduce a new procedure for iterative selection of determinant spaces capable of describing highly correlated systems. This adaptive configuration interaction (ACI) determines an optimal basis by an iterative procedure in which the determinant space is expanded and coarse grained until self-consistency. Two importance criteria control the selection process and tune the ACI to a user-defined level of accuracy. The ACI is shown to yield potential energy curves of N{sub 2} with nearly constant errors, and it predicts singlet-triplet splittings of acenes up to decacene that are in good agreement with the density matrix renormalization group.

  2. Use of Synergistic Interactions to Fabricate Strong, Tough, and Conductive Artificial Nacre Based on Graphene Oxide and Chitosan.

    Science.gov (United States)

    Wan, Sijie; Peng, Jingsong; Li, Yuchen; Hu, Han; Jiang, Lei; Cheng, Qunfeng

    2015-10-27

    Graphene is the strongest and stiffest material, leading to the development of promising applications in many fields. However, the assembly of graphene nanosheets into macrosized nanocomposites for practical applications remains a challenge. Nacre in its natural form sets the "gold standard" for toughness and strength, which serves as a guide to the assembly of graphene nanosheets into high-performance nanocomposites. Here we show the strong, tough, conductive artificial nacre based on graphene oxide through synergistic interactions of hydrogen and covalent bonding. Tensile strength and toughness was 4 and 10 times higher, respectively, than that of natural nacre. The exceptional integrated strong and tough artificial nacre has promising applications in aerospace, artificial muscle, and tissue engineering, especially for flexible supercapacitor electrodes due to its high electrical conductivity. The use of synergistic interactions is a strategy for the development of high-performance nanocomposites.

  3. Comparing the epidermal growth factor interaction with four different cell lines: intriguing effects imply strong dependency of cellular context.

    Directory of Open Access Journals (Sweden)

    Hanna Björkelund

    Full Text Available The interaction of the epidermal growth factor (EGF with its receptor (EGFR is known to be complex, and the common over-expression of EGF receptor family members in a multitude of tumors makes it important to decipher this interaction and the following signaling pathways. We have investigated the affinity and kinetics of (125I-EGF binding to EGFR in four human tumor cell lines, each using four culturing conditions, in real time by use of LigandTracer®.Highly repeatable and precise measurements show that the overall apparent affinity of the (125I-EGF - EGFR interaction is greatly dependent on cell line at normal culturing conditions, ranging from K(D ≈ 200 pM on SKBR3 cells to K(D≈8 nM on A431 cells. The (125I-EGF - EGFR binding curves (irrespective of cell line have strong signs of multiple simultaneous interactions. Furthermore, for the cell lines A431 and SKOV3, gefitinib treatment increases the (125I-EGF - EGFR affinity, in particular when the cells are starved. The (125I-EGF - EGFR interaction on cell line U343 is sensitive to starvation while as on SKBR3 it is insensitive to gefitinib and starvation.The intriguing pattern of the binding characteristics proves that the cellular context is important when deciphering how EGF interacts with EGFR. From a general perspective, care is advisable when generalizing ligand-receptor interaction results across multiple cell-lines.

  4. Equilibration of a strongly interacting plasma: holographic analysis of local and nonlocal probes

    Directory of Open Access Journals (Sweden)

    Bellantuono Loredana

    2016-01-01

    Full Text Available The relaxation of a strongly coupled plasma towards the hydrodynamic regime is studied by analyzing the evolution of local and nonlocal observables in the holographic approach. The system is driven in an initial anisotropic and far-from equilibrium state through an impulsive time-dependent deformation (quench of the boundary spacetime geometry. Effective temperature and entropy density are related to the position and area of a black hole horizon, which has formed as a consequence of the distortion. The behavior of stress-energy tensor, equal-time correlation functions and Wilson loops of different shapes is examined, and a hierarchy among their thermalization times emerges: probes involving shorter length scales thermalize faster.

  5. Nonlinear interaction of charged particles with strong laser pulses in a gaseous media

    Directory of Open Access Journals (Sweden)

    H. K. Avetissian

    2007-07-01

    Full Text Available The charged particles nonlinear dynamics in the field of a strong electromagnetic wave pulse of finite duration and certain form of the envelope, in the refractive medium with a constant and variable refraction indexes, is investigated by means of numerical integration of the classical relativistic equations of motion. The particle energy dependence on the pulse intensity manifests the nonlinear threshold phenomenon of a particle reflection and capture by actual laser pulses in dielectric-gaseous media that takes place for a plane electromagnetic wave in the induced Cherenkov process. Laser acceleration of the particles in the result of the reflection from the pulse envelope and in the capture regime with the variable refraction index along the pulse propagation direction is investigated.

  6. Strongly coupled interaction between a ridge of fluid and an inviscid airflow

    KAUST Repository

    Paterson, C.

    2015-07-01

    © 2015 AIP Publishing LLC. The behaviour of a steady thin sessile or pendent ridge of fluid on an inclined planar substrate which is strongly coupled to the external pressure gradient arising from an inviscid airflow parallel to the substrate far from the ridge is described. When the substrate is nearly horizontal, a very wide ridge can be supported against gravity by capillary and/or external pressure forces; otherwise, only a narrower (but still wide) ridge can be supported. Classical thin-aerofoil theory is adapted to obtain the governing singular integro-differential equation for the profile of the ridge in each case. Attention is focused mainly on the case of a very wide sessile ridge. The effect of strengthening the airflow is to push a pinned ridge down near to its edges and to pull it up near to its middle. At a critical airflow strength, the upslope contact angle reaches the receding contact angle at which the upslope contact line de-pins, and continuing to increase the airflow strength beyond this critical value results in the de-pinned ridge becoming narrower, thicker, and closer to being symmetric in the limit of a strong airflow. The effect of tilting the substrate is to skew a pinned ridge in the downslope direction. Depending on the values of the advancing and receding contact angles, the ridge may first de-pin at either the upslope or the downslope contact line but, in general, eventually both contact lines de-pin. The special cases in which only one of the contact lines de-pins are also considered. It is also shown that the behaviour of a very wide pendent ridge is qualitatively similar to that of a very wide sessile ridge, while the important qualitative difference between the behaviour of a very wide ridge and a narrower ridge is that, in general, for the latter one or both of the contact lines may never de-pin.

  7. Desalting of phosphopeptides by tandem polypyrrole-c18 reverse phase micropipette tip (TMTip{sub PPY-C18}) based on hybrid electrostatic, {Pi}-{Pi} stacking and hydrophobic interactions for mass spectrometric analysis

    Energy Technology Data Exchange (ETDEWEB)

    Zheng Shi; Wang Xiaoli; Fu Jieying; Hu Xuejiao; Xiao Xiao; Huang Lulu; Zhou Youe [Key Laboratory of Pesticides and Chemical Biology, Ministry of Education, College of Chemistry, Central China Normal University, Wuhan, Hubei 430079 (China); Zhong Hongying, E-mail: hyzhong@mail.ccnu.edu.cn [Key Laboratory of Pesticides and Chemical Biology, Ministry of Education, College of Chemistry, Central China Normal University, Wuhan, Hubei 430079 (China)

    2012-04-29

    Highlights: Black-Right-Pointing-Pointer A new micropipette tip TMTip{sub PPY-C18} was developed for desalting of phosphopeptides. Black-Right-Pointing-Pointer TMTip{sub PPY-C18} is based on polypyrrole in tandem with C18 chromatographic material. Black-Right-Pointing-Pointer TMTip{sub PPY-C18} combines electrostatic, {Pi}-{Pi} stacking and hydrophobic interactions. Black-Right-Pointing-Pointer TMTip{sub PPY-C18} can be used in both acidic and basic experimental conditions. - Abstract: Desalting and concentration of peptides using reverse phase (RP) C18 chromatographic material based on hydrophobic interaction is a routine approach used in mass spectrometry (MS)-based proteomics. However, MS detection of small hydrophilic peptides, in particular, phosphopeptides that bear multiple negative charges, is challenging due to the insufficient binding to C18 stationary phase. We described here the development of a new desalting method that takes the unique properties of polypyrrole (PPY). The presence of positively charged nitrogen atoms under acidic conditions and polyunsaturated bonds in polypyrrole provide a prospect for enhanced adsorption of phosphopeptides or hydrophilic peptides through extra electrostatic and {Pi}-{Pi} stacking interactions in addition to hydrophobic interactions. In tandem with reversed phase C18 chromatographic material, the new type of desalting method termed as TMTip{sub PPY-C18} can significantly improve the MS detection of phosphopeptides with multiple phosphate groups and other small hydrophilic peptides. It has been applied to not only tryptic digest of model proteins but also the analysis of complex lysates of zebrafish eggs. The number of detected phosphate groups on a peptide ranged from 1 to 6. Particularly, polypyrrole based method can also be used in basic condition. Thus it provides a useful means to handle peptides that may not be detectable in acidic condition. It can be envisioned that the TMTip{sub PPY-C18} should be able to

  8. Strong interaction between graphene layer and Fano resonance in terahertz metamaterials

    Science.gov (United States)

    Xiao, Shuyuan; Wang, Tao; Jiang, Xiaoyun; Yan, Xicheng; Cheng, Le; Wang, Boyun; Xu, Chen

    2017-05-01

    Graphene has emerged as a promising building block in modern optics and optoelectronics due to its novel optical and electrical properties. In the mid-infrared and terahertz (THz) regime, graphene behaves like metals and supports surface plasmon resonances (SPRs). Moreover, the continuously tunable conductivity of graphene enables active SPRs and gives rise to a range of active applications. However, the interaction between graphene and metal-based resonant metamaterials has not been fully understood. In this work, a simulation investigation on the interaction between the graphene layer and THz resonances supported by the two-gap split ring metamaterials is systematically conducted. The simulation results show that the graphene layer can substantially reduce the Fano resonance and even switch it off, while leaving the dipole resonance nearly unaffected, which is well explained with the high conductivity of graphene. With the manipulation of graphene conductivity via altering its Fermi energy or layer number, the amplitude of the Fano resonance can be modulated. The tunable Fano resonance here together with the underlying physical mechanism can be strategically important in designing active metal-graphene hybrid metamaterials. In addition, the ‘sensitivity’ to the graphene layer of the Fano resonance is also highly appreciated in the field of ultrasensitive sensing, where the novel physical mechanism can be employed in sensing other graphene-like two-dimensional materials or biomolecules with the high conductivity.

  9. Tunable self-assembled spin chains of strongly interacting cold atoms for demonstration of reliable quantum state transfer

    DEFF Research Database (Denmark)

    Loft, N. J. S.; Marchukov, O. V.; Petrosyan, D.

    2016-01-01

    We have developed an efficient computational method to treat long, one-dimensional systems of strongly-interacting atoms forming self-assembled spin chains. Such systems can be used to realize many spin chain model Hamiltonians tunable by the external confining potential. As a concrete...... demonstration, we consider quantum state transfer in a Heisenberg spin chain and we show how to determine the confining potential in order to obtain nearly-perfect state transfer....

  10. Impact of short range hydrophobic interactions and long range electrostatic forces on the aggregation kinetics of a monoclonal antibody and a dual-variable domain immunoglobulin at low and high concentrations.

    Science.gov (United States)

    Kumar, Vineet; Dixit, Nitin; Zhou, Liqiang Lisa; Fraunhofer, Wolfgang

    2011-12-12

    The purpose of this work was to determine the nature of long and short-range forces governing protein aggregation kinetics at low and high concentrations for a monoclonal antibody (IgG1) and a dual-variable-domain immunoglobulin (DVD-Ig). Protein-protein interactions (PPI) were studied under dilute conditions by utilizing the methods of static (B(22)) and dynamic light scattering (k(D)). PPI in solutions containing minimal ionic strengths were characterized to get detailed insights into the impact of ionic strength on aggregation. Microcalorimetry and susceptibility to denature at air-liquid interface were used to assess the tertiary structure and quiescent stability studies were conducted to study aggregation characteristics. Results for IgG1 showed that electrostatic interactions governed protein aggregation kinetics both under dilute and concentrated conditions (i.e., 5 mg/mL and 150 mg/mL). For DVD-Ig molecules, on the other hand, although electrostatic interactions governed protein aggregation under dilute conditions, hydrophobic forces clearly determined the kinetics at high concentrations. This manuscript shows for the first time that short-range hydrophobic interactions can outweigh electrostatic forces and play an important role in determining protein aggregation at high concentrations. Additionally, results show that although higher-order virial coefficients become significant under low ionic strength conditions, removal of added charges may be used to enhance the aggregation stability of dilute protein formulations. Copyright © 2011 Elsevier B.V. All rights reserved.

  11. Strong electromagnetic pulses generated in laser-matter interactions with 10TW-class fs laser

    Science.gov (United States)

    Rączka, Piotr; Rosiński, Marcin; Zaraś-Szydłowska, Agnieszka; Wołowski, Jerzy; Badziak, Jan

    2018-01-01

    The results of an experiment on the generation of electromagnetic pulses (EMP) in the interaction of 10TW fs pulses with thick (mm scale) and thin foil (μm scale) targets are described. Such pulses, with frequencies in the GHz range, may pose a threat to safe and reliable operation of high-power, high-intensity laser facilities. The main point of the experiment is to investigate the fine temporal structure of such pulses using an oscilloscope capable of measurements at very high sampling rate. It is found that the amazing reproducibility of such pulses is confirmed at this high sampling rate. Furthermore, the differences between the EMP signals generated from thick and thin foil targets are clearly seen, which indicates that besides electric polarization of the target and the target neutralization current there may be other factors essential for the EMP emission.

  12. Radio and X-Ray Observations of SN 2006jd: Another Strongly Interacting Type IIn Supernova

    Science.gov (United States)

    Chandra, Poonam; Chevalier, Roger A.; Chugai, Nikolai; Fransson, Claes; Irwin, Christopher M.; Soderberg, Alicia M.; Chakraborti, Sayan; Immler, Stefan

    2012-01-01

    We report four years of radio and X-ray monitoring of the Type IIn supernova SN 2006jd at radio wavelengths with the Very Large Array, Giant Metrewave Radio Telescope and Expanded Very Large Array at X-ray wavelengths with Chandra, XMM-Newton and Swift-XRT. We assume that the radio and X-ray emitting particles are produced by shock interaction with a dense circumstellar medium. The radio emission shows an initial rise that can be attributed to free-free absorption by cool gas mixed into the nonthermal emitting region external free-free absorption is disfavored because of the shape of the rising light curves and the low gas column density inferred along the line of sight to the emission region. The X-ray luminosity implies a preshock circumstellar density approximately 10(exp 6) per cubic meter at a radius r approximately 2 x 10(exp 16) centimeter, but the column density inferred from the photoabsorption of X-rays along the line of sight suggests a significantly lower density. The implication may be an asymmetry in the interaction. The X-ray spectrum shows Fe line emission at 6.9 keV that is stronger than is expected for the conditions in the X-ray emitting gas. We suggest that cool gas mixed into the hot gas plays a role in the line emission. Our radio and X-ray data both suggest the density profile is flatter than r2 because of the slow evolution of the unabsorbed emission.

  13. The evolution of antimicrobial peptide resistance in Pseudomonas aeruginosa is shaped by strong epistatic interactions

    DEFF Research Database (Denmark)

    Jochumsen, Nicholas; Marvig, Rasmus Lykke; Pedersen, Søren Damkiær

    2016-01-01

    Colistin is an antimicrobial peptide that has become the only remaining alternative for the treatment of multidrug-resistant Gram-negative bacterial infections, but little is known of how clinical levels of colistin resistance evolve. We use in vitro experimental evolution and whole-genome sequen......Colistin is an antimicrobial peptide that has become the only remaining alternative for the treatment of multidrug-resistant Gram-negative bacterial infections, but little is known of how clinical levels of colistin resistance evolve. We use in vitro experimental evolution and whole......-genome sequencing of colistin-resistant Pseudomonas aeruginosa isolates from cystic fibrosis patients to reconstruct the molecular evolutionary pathways open for high-level colistin resistance. We show that the evolution of resistance is a complex, multistep process that requires mutation in at least five...... independent loci that synergistically create the phenotype. Strong intergenic epistasis limits the number of possible evolutionary pathways to resistance. Mutations in transcriptional regulators are essential for resistance evolution and function as nodes that potentiate further evolution towards higher...

  14. Voltage-Controlled Switching of Strong Light-Matter Interactions using Liquid Crystals.

    Science.gov (United States)

    Hertzog, Manuel; Rudquist, Per; Hutchison, James A; George, Jino; Ebbesen, Thomas W; Börjesson, Karl

    2017-12-22

    We experimentally demonstrate a fine control over the coupling strength of vibrational light-matter hybrid states by controlling the orientation of a nematic liquid crystal. Through an external voltage, the liquid crystal is seamlessly switched between two orthogonal directions. Using these features, for the first time, we demonstrate electrical switching and increased Rabi splitting through transition dipole moment alignment. The C-N str vibration on the liquid crystal molecule is coupled to a cavity mode, and FT-IR is used to probe the formed vibropolaritonic states. A switching ratio of the Rabi splitting of 1.78 is demonstrated between the parallel and the perpendicular orientation. Furthermore, the orientational order increases the Rabi splitting by 41 % as compared to an isotropic liquid. Finally, by examining the influence of molecular alignment on the Rabi splitting, the scalar product used in theoretical modeling between light and matter in the strong coupling regime is verified. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Inelastic strong interactions at high energies. Annual progress report, June 1, 1979-May 1, 1980

    International Nuclear Information System (INIS)

    Suranyi, P.

    1980-02-01

    Investigations in the area of Grand Unified Field Theories were begun. Various ways of breaking the SU(5) symmetric theory of Georgi and Glashow were studied. As usual, an approx. 24 of Higgs breaks the symmetry from SU(5) to SU(3)/sub c/xSU(2)xU(1). It was found that an approx. 45 of Higgs is acceptable for breaking the symmetry from SU(3)/sub c/xSU(2)xU(1) to SU(3)/sub c/xU(1)/sub em/. In addition phenomenologically correct quark-lepton mass ratios are obtained by use of renormalization-group techniques if there are 6 generations of particles in the theory. Efforts directed at the development of approximate methods for extracting information from quantum field theories were continued. The quantum mechanics of polynomial potentials as a model for quantum field theories was investigated. A perturbation expansion for the energy levels and wave functions was constructed and has been proven to be convergent for arbitrary values of the coupling constants, in contrast to ordinary perturbation expansions that have a zero radius of convergence. The physical significance of the new perturbation expansions was explored both in the weak and strong coupling limits

  16. Strong-coupling superconductivity in the two-dimensional t-J model supplemented by a hole-phonon interaction

    International Nuclear Information System (INIS)

    Sherman, A.; Schreiber, M.

    1995-01-01

    We use the Eliashberg formalism for calculating T c in a model of cuprate perovskites with pairing mediated by both magnons and apex-oxygen vibrations. The influence of strong correlations on the energy spectrum is taken into account in the spin-wave approximation. It is shown that the hole-magnon interaction alone cannot yield high T c . But together with a moderate hole-phonon interaction it does lead to d-wave superconductivity at temperatures and hole concentrations observed in cuprates. High T c are connected with a large density of states due to extended Van Hove singularities, a conformity of the two interactions for the d symmetry, and high phonon frequencies

  17. Flutter-by Interactive Butterfly Using interactivity to excite and educate children about butterflies and the National Museum of Play at The Strong's Dancing Wings Butterfly Garden

    Science.gov (United States)

    Powers, Lydia

    The National Museum of Play at The Strong's Dancing Wings Butterfly Garden is a tropical rainforest that allows visitors to step into the world of butterflies, but lacks a more comprehensive educational element to teach visitors additional information about butterflies. Flutter-by Interactive Butterfly is a thesis project designed to enhance younger visitors' experience of the Dancing Wings Butterfly Garden with an interactive educational application that aligns with The Strong's mission of encouraging learning, creativity, and discovery. This was accomplished through a series of fun and educational games and animations, designed for use as a kiosk outside the garden and as a part of The Strong's website. Content, planning, and organization of this project has been completed through research and observation of the garden in the following areas: its visitors, butterflies, best usability practices for children, and game elements that educate and engage children. Flutter-by Interactive Butterfly teaches users about the butterfly's life cycle, anatomy, and characteristics as well as their life in the Dancing Wings Butterfly Garden. Through the use of the design programs Adobe Illustrator, Flash, and After Effects; the programming language ActionScript3.0; a child-friendly user interface and design; audio elements and user takeaways, Flutter-by Interactive Butterfly appeals to children of all ages, interests, and learning styles. The project can be viewed at lydiapowers.com/Thesis/FlutterByButterfly.html

  18. Some issues linked to the description of systems in strong interaction

    International Nuclear Information System (INIS)

    Theussl, L.

    2001-06-01

    In the first part of this work we have dealt with some issues that are relevant in the area of nucleonic resonances within different constituent quark models. In this context we have concentrated on the theoretical description of Pi and Nu decays for N and Delta resonances. The results obtained point to the necessity of a more microscopic description of the dynamics which is at the same time responsible for the binding of quarks inside baryons and the decay of the latter ones. In the second part we have contributed to the study of crossed two-boson exchanges in the Bethe-Salpeter equation as well as to the investigation of different three-dimensional approaches that follow from the Bethe-Salpeter equation in a certain non-relativistic reduction scheme. These one include in particular an equation whose interaction depends on the total energy of the system. It was shown that such an equation is able to account for a certain number of properties of Bethe-Salpeter equation, in particular, that there also arise abnormal solutions in such an approach. (author)

  19. Strong Hydrogen Bonded Molecular Interactions between Atmospheric Diamines and Sulfuric Acid.

    Science.gov (United States)

    Elm, Jonas; Jen, Coty N; Kurtén, Theo; Vehkamäki, Hanna

    2016-05-26

    We investigate the molecular interaction between methyl-substituted N,N,N',N'-ethylenediamines, propane-1,3-diamine, butane-1,4-diamine, and sulfuric acid using computational methods. Molecular structure of the diamines and their dimer clusters with sulfuric acid is studied using three density functional theory methods (PW91, M06-2X, and ωB97X-D) with the 6-31++G(d,p) basis set. A high level explicitly correlated CCSD(T)-F12a/VDZ-F12 method is used to obtain accurate binding energies. The reaction Gibbs free energies are evaluated and compared with values for reactions involving ammonia and atmospherically relevant monoamines (methylamine, dimethylamine, and trimethylamine). We find that the complex formation between sulfuric acid and the studied diamines provides similar or more favorable reaction free energies than dimethylamine. Diamines that contain one or more secondary amino groups are found to stabilize sulfuric acid complexes more efficiently. Elongating the carbon backbone from ethylenediamine to propane-1,3-diamine or butane-1,4-diamine further stabilizes the complex formation with sulfuric acid by up to 4.3 kcal/mol. Dimethyl-substituted butane-1,4-diamine yields a staggering formation free energy of -19.1 kcal/mol for the clustering with sulfuric acid, indicating that such diamines could potentially be a key species in the initial step in the formation of new particles. For studying larger clusters consisting of a diamine molecule with up to four sulfuric acid molecules, we benchmark and utilize a domain local pair natural orbital coupled cluster (DLPNO-CCSD(T)) method. We find that a single diamine is capable of efficiently stabilizing sulfuric acid clusters with up to four acid molecules, whereas monoamines such as dimethylamine are capable of stabilizing at most 2-3 sulfuric acid molecules.

  20. Effects of hydrophobic drug-polyesteric core interactions on drug loading and release properties of poly(ethylene glycol)-polyester-poly(ethylene glycol) triblock core-shell nanoparticles

    International Nuclear Information System (INIS)

    Khoee, Sepideh; Hassanzadeh, Salman; Goliaie, Bahram

    2007-01-01

    BAB amphiphilic triblock copolymers consisting of poly(ethylene glycol) (B) (PEG) as the hydrophilic segment and different polyesters (A) as the hydrophobic block were prepared by a polycondensation reaction as efficient model core-shell nanoparticles to assay the effect of interactions between the hydrophobic drug and the polyesteric core in terms of drug loading content and release profile. PEG-poly(hexylene adipate)-PEG (PEG-PHA-PEG) and PEG-poly(butylene adipate)-PEG (PEG-PBA-PEG) to PEG-poly(ethylene adipate)-PEG (PEG-PEA-PEG) core-shell type nanoparticles entrapping quercetin (an anticarcinogenic, allergy inhibitor and antibacterial agent), were prepared by a nanoprecipitation method and characterized by dynamic light scattering (DLS), transmission electron microscopy (TEM) and x-ray diffraction (XRD) techniques. It was found that the obtained nanoparticles showed a smooth surface and spherical shape with controllable sizes in the range of 64-74 nm, while drug loading varied from 7.24% to 19% depending on the copolymer composition and the preparation conditions. The in vitro release behaviour exhibited a sustained release and was affected by the polymer-drug interactions. UV studies revealed the presence of hydrogen bonding as the main existing interaction between quercetin and polyesters in the nanosphere cores

  1. Desalting of phosphopeptides by tandem polypyrrole-c18 reverse phase micropipette tip (TMTip(PPY-C18)) based on hybrid electrostatic, Π-Π stacking and hydrophobic interactions for mass spectrometric analysis.

    Science.gov (United States)

    Zheng, Shi; Wang, Xiaoli; Fu, Jieying; Hu, Xuejiao; Xiao, Xiao; Huang, Lulu; Zhou, Youe; Zhong, Hongying

    2012-04-29

    Desalting and concentration of peptides using reverse phase (RP) C18 chromatographic material based on hydrophobic interaction is a routine approach used in mass spectrometry (MS)-based proteomics. However, MS detection of small hydrophilic peptides, in particular, phosphopeptides that bear multiple negative charges, is challenging due to the insufficient binding to C18 stationary phase. We described here the development of a new desalting method that takes the unique properties of polypyrrole (PPY). The presence of positively charged nitrogen atoms under acidic conditions and polyunsaturated bonds in polypyrrole provide a prospect for enhanced adsorption of phosphopeptides or hydrophilic peptides through extra electrostatic and Π-Π stacking interactions in addition to hydrophobic interactions. In tandem with reversed phase C18 chromatographic material, the new type of desalting method termed as TMTip(PPY-C18) can significantly improve the MS detection of phosphopeptides with multiple phosphate groups and other small hydrophilic peptides. It has been applied to not only tryptic digest of model proteins but also the analysis of complex lysates of zebrafish eggs. The number of detected phosphate groups on a peptide ranged from 1 to 6. Particularly, polypyrrole based method can also be used in basic condition. Thus it provides a useful means to handle peptides that may not be detectable in acidic condition. It can be envisioned that the TMTip(PPY-C18) should be able to facilitate the exploration of large scale phosphoproteome. Copyright © 2012 Elsevier B.V. All rights reserved.

  2. Perturbative Analysis of the Influence of Strong Interaction on the Relations between A$_{2\\pi}$ Creation Probabilities in ns-States

    CERN Document Server

    Voskresenskaya, O O

    2002-01-01

    It is shown that the relations between probabilities of A_{2\\pi}-atoms creation in ns-states, derived with neglecting of strong interaction between pions, hold practically unchanged if the strong interaction is taken into account in the first order of perturbation theory. The formulation of Deser equation for the energy levels shift of the hadronic atoms (HA) is given in terms of effective range of strong interaction and relative correction to the coulombic wave function of HA at origin, caused by strong interaction.

  3. Cirhin up-regulates a canonical NF-{kappa}B element through strong interaction with Cirip/HIVEP1

    Energy Technology Data Exchange (ETDEWEB)

    Yu, Bin; Mitchell, Grant A. [Genetique Medicale, Centre de Recherche CHU Sainte-Justine, Departement de Pediatrie, Universite de Montreal, Montreal, QC (Canada); Richter, Andrea, E-mail: andrea.richter@umontreal.ca [Genetique Medicale, Centre de Recherche CHU Sainte-Justine, Departement de Pediatrie, Universite de Montreal, Montreal, QC (Canada)

    2009-11-01

    North American Indian childhood cirrhosis (NAIC/CIRH1A) is a severe autosomal recessive intrahepatic cholestasis. All NAIC patients have a homozygous mutation in CIRH1A that changes conserved Arg565 to Trp (R565W) in Cirhin, a nucleolar protein of unknown function. Subcellular localization is unaffected by the mutation. Yeast two-hybrid screening identified Cirip (Cirhin interaction protein) and found that interaction between Cirip and R565W-Cirhin was weakened. Co-immunoprecipitation of the two proteins from nuclear extracts of HeLa cells strongly supports the yeast two hybrid results. Cirip has essentially the same sequence as the C-terminal of HIVEP1, a regulator of a canonical NF-{kappa}B sequence. Since Cirip has the zinc fingers required for this interaction, we developed an in vitro assay based on this element in mammalian cells to demonstrate functional Cirhin-Cirip interaction. The strong positive effect of Cirip on the NF-{kappa}B sequence was further increased by both Cirhin and R565W-Cirhin. Importantly, the effect of R565W-Cirhin was weaker than that of the wild type protein. We observed increased levels of Cirhin-Cirip complex in nuclear extracts in the presence of this NF-{kappa}B sequence. Our hypothesis is that Cirhin is a transcriptional regulatory factor of this NF-{kappa}B sequence and could be a participant in the regulation of other genes with NF-{kappa}B responsive elements. Since the activities of genes regulated through NF-{kappa}B responsive elements are especially important during development, this interaction may be a key to explain the perinatal appearance of NAIC.

  4. Roles of the quadrupole interaction and of the quadratic stark effect in spectral lines from plasmas interacting with a strong quasimonochromatic electric field

    Czech Academy of Sciences Publication Activity Database

    Sauvan, P.; Dalimier, E.; Riconda, C.; Oks, E.; Renner, Oldřich; Weber, S.

    2010-01-01

    Roč. 1, č. 2 (2010), s. 123-128 ISSN 2229-3159 R&D Projects: GA MŠk(CZ) LC528 Institutional research plan: CEZ:AV0Z10100523 Keywords : laser-plasma interaction * PIC plasma model ing * strong quasimonochromatic electric fields * x-ray line broadening * stark effect * floquet theory Subject RIV: BH - Optics, Masers, Lasers http://www.auburn.edu/academic/cosam/departments/physics/iramp/1_2/sauvan_et_al.pdf

  5. Osteoclast formation is strongly reduced both in vivo and in vitro in the absence of CD47/SIRPα-interaction

    International Nuclear Information System (INIS)

    Lundberg, Pernilla; Koskinen, Cecilia; Baldock, Paul A.; Loethgren, Hanna; Stenberg, Asa; Lerner, Ulf H.; Oldenborg, Per-Arne

    2007-01-01

    Physical interaction between the cell surface receptors CD47 and signal regulatory protein alpha (SIRPα) was reported to regulate cell migration, phagocytosis, cytokine production, and macrophage fusion. However, it is unclear if the CD47/SIRPα-interaction can also regulate macrophage colony-stimulating factor (M-CSF) and receptor activator of nuclear factor (NF)-κB ligand (RANKL)-stimulated formation of osteoclasts. Here, we show that functional blocking antibodies to either CD47 or SIRPα strongly reduced formation of multinucleated tartrate-resistant acid phosphatase (TRAP) + osteoclasts in cultures of murine hematopoietic cells, stimulated in vitro by M-CSF and RANKL. In addition, the numbers of osteoclasts formed in M-CSF/RANKL-stimulated bone marrow macrophage cultures from CD47 -/- mice were strongly reduced, and bones of CD47 -/- mice exhibited significantly reduced osteoclast numbers, as compared with wild-type controls. We conclude that the CD47/SIRPα interaction is important for M-CSF/RANKL-stimulated osteoclast formation both in vivo and in vitro, and that absence of CD47 results in decreased numbers of osteoclasts in CD47 -/- mice

  6. Probing Sub-GeV Mass Strongly Interacting Dark Matter with a Low-Threshold Surface Experiment.

    Science.gov (United States)

    Davis, Jonathan H

    2017-11-24

    Using data from the ν-cleus detector, based on the surface of Earth, we place constraints on dark matter in the form of strongly interacting massive particles (SIMPs) which interact with nucleons via nuclear-scale cross sections. For large SIMP-nucleon cross sections, the sensitivity of traditional direct dark matter searches using underground experiments is limited by the energy loss experienced by SIMPs, due to scattering with the rock overburden and experimental shielding on their way to the detector apparatus. Hence, a surface-based experiment is ideal for a SIMP search, despite the much larger background resulting from the lack of shielding. We show using data from a recent surface run of a low-threshold cryogenic detector that values of the SIMP-nucleon cross section up to approximately 10^{-27}  cm^{2} can be excluded for SIMPs with masses above 100 MeV.

  7. Strong interactions - quark models

    International Nuclear Information System (INIS)

    Goto, M.; Ferreira, P.L.

    1979-01-01

    The variational method is used for the PSI and upsilon family spectra reproduction from the quark model, through several phenomenological potentials, viz.: linear, linear plus coulomb term and logarithmic. (L.C.) [pt

  8. Strong quadrupole interaction in electron paramagnetic resonance. Study of the indium hexacyanide (III) in KCl irradiated with electrons

    International Nuclear Information System (INIS)

    Vugman, N.V.

    1973-08-01

    The radiation effects in ]Ir III (CN) 6 ] 3- diamagnetic complexe inserted in the KCl lattice and irradiated with electrons of 2MeV by electron spin resonance (ESR) are analysed. Formulas for g and A tensors in the ligand field approximation, are derivated to calculate non coupling electron density in the metal. The X polarization field of inner shells is positive, indicating a 6s function mixture in the non coupling electron molecular orbital. The observed hyperfine structure is assigned to 4 equivalent nitrogen and one non equivalent nitrogen. This hypothesis is verified by experience of isotope substitution with 15 N. The s and p spin density in ligands are calculated and discussed in terms of molecular obitals. The effects of strong quadrupole interaction into the EPR spectra of ]Ir II (CN) 5 ] 3- complex are analysed by MAGNSPEC computer program to diagonalize the Spin Hamiltonian of the system. Empiric rules for EPR espectrum interpretation with strong quadrupole interaction. A review of EPR technique and a review of main concepts of crystal-field and ligand field theories, are also presented. (M.C.K.) [pt

  9. Corrosion protection of reinforcement by hydrophobic treatment of concrete

    NARCIS (Netherlands)

    Polder, R.B.; Vries, H. de

    1999-01-01

    Penetration of de-icing salts into concrete bridge decks may cause corrosion of reinforcement. Hydrophobic treatment of concrete was studied as additional protection. It was shown that hydrophobic treatment strongly reduces chloride ingress, during semi-permanent contact and in wetting/drying

  10. Prevention of reinforcement corrosion by hydrophobic treatment of concrete

    NARCIS (Netherlands)

    Polder, R.B.; Borsje, H.; Vries, H. de

    2001-01-01

    Corrosion of reinforcement in concrete bridge decks may occur due to penetration of de-icing salts, even in the presence of an asphalt overlay. This paper reports a laboratory study into additional protection of concrete by hydrophobic treatment. It was found that hydrophobic treatment strongly

  11. Biosurfactant-enhanced bioremediation of hydrophobic pollutants

    Energy Technology Data Exchange (ETDEWEB)

    Cameotra, S.S.; Makkar, R.S. [Inst. of Microbial Technology, Chandigarh (India)

    2010-01-15

    Biosurfactants are surface-active compounds synthesized by a wide variety of microorganisms. They are molecules that have both hydrophobic and - philic domains and are capable of lowering the surface tension and the interfacial tension of the growth medium. Biosurfactants possess different chemical structures-lipopeptides, glycolipids, neutral lipids, and fatty acids. They are nontoxic biomolecules that are biodegradable. Biosurfactants also exhibit strong emulsification of hydrophobic compounds and form stable emulsions. Polycyclic aromatic hydrocarbons (PAHs), crude on sludge, and pesticides call be toxic, mutagenic, and carcinogenic compounds that pollute the environment. They are released into the environment as a result of oil spillage and by-products of coal treatment processes. The low water solubility of these compounds limits their availability to microorganisms, which is a potential problem for bioremediation of contaminated sites. Microbially produced surfactants enhance the bioavailability of these hydrophobic compounds for bioremediation. Therefore, biosurfactant-enhanced solubility of pollutants has potential hioremediation applications.

  12. Solvent fluctuations at hydrophobic, hydrophilic, and electrochemical interfaces

    Science.gov (United States)

    Willard, Adam Phillip

    Using both coarse grained and atomistic models we study the behavior of water at the hydrophobic, hydrophilic and electrochemical interface. We show that the structural and fluxional properties of the water-solute interface are much different for small hydrophobic solutes than for large hydrophobic solutes. In the former case the solute is accommodated within the bulk hydrogen bonding network and interfacial properties are governed by the preservation of this network. In the latter case the solute-solvent interface forms what is akin to an ordinary water-vapor interface which is reflected in the interfacial properties. We examine the effect of introducing dispersive-like solute-solvent attractive interactions and find that the interface of a small hydrophobic solute is only slightly susceptible to the magnitude of solute-solvent attractions. We find that although the fluctuations of the large hydrophobic solute-solvent interface depend strongly on the magnitude of the solute-solvent attraction, the inherent structure of the liquid-vapor-like interface is insensitive to the magnitude of the solute-solvent attraction. In a separate analysis we use coarse-grained models to investigate the behavior of water adjacent to an extended hydrophobic surface peppered with various fractions of hydrophilic patches of different sizes. We study the spatial dependence of the mean interface height, the solvent density fluctuations related to drying the patchy substrate, and the spatial dependence of interfacial fluctuations. We find that adding small uniform attractive interactions between the substrate and solvent cause the mean position of the interface to be very close to the substrate. Nevertheless, the interfacial fluctuations are large and spatially heterogeneous in response to the underlying patchy substrate. We discuss the implications of these findings for the assembly of heterogeneous surfaces. We also use a coarse-grained solvent model to study the self-assembly of two

  13. Phactr3/scapinin, a member of protein phosphatase 1 and actin regulator (phactr family, interacts with the plasma membrane via basic and hydrophobic residues in the N-terminus.

    Directory of Open Access Journals (Sweden)

    Akihiro Itoh

    Full Text Available Proteins that belong to the protein phosphatase 1 and actin regulator (phactr family are involved in cell motility and morphogenesis. However, the mechanisms that regulate the actin cytoskeleton are poorly understood. We have previously shown that phactr3, also known as scapinin, localizes to the plasma membrane, including lamellipodia and membrane ruffles. In the present study, experiments using deletion and point mutants showed that the basic and hydrophobic residues in the N-terminus play crucial roles in the localization to the plasma membrane. A BH analysis (http://helixweb.nih.gov/bhsearch is a program developed to identify membrane-binding domains that comprise basic and hydrophobic residues in membrane proteins. We applied this program to phactr3. The results of the BH plot analysis agreed with the experimentally determined region that is responsible for the localization of phactr3 to the plasma membrane. In vitro experiments showed that the N-terminal itself binds to liposomes and acidic phospholipids. In addition, we showed that the interaction with the plasma membrane via the N-terminal membrane-binding sequence is required for phactr3-induced morphological changes in Cos7 cells. The membrane-binding sequence in the N-terminus is highly conserved in all members of the phactr family. Our findings may provide a molecular basis for understanding the mechanisms that allow phactr proteins to regulate cell morphogenesis.

  14. In vitro adsorption revealing an apparent strong interaction between endophyte Pantoea agglomerans YS19 and host rice.

    Science.gov (United States)

    Miao, Yuxuan; Zhou, Jia; Chen, Cuicui; Shen, Delong; Song, Wei; Feng, Yongjun

    2008-12-01

    Pantoea (formerly Enterobacter) agglomerans YS19 is a dominant diazotrophic endophyte isolated from rice (Oryza sativa cv. Yuefu) grown in a temperate-climate region in west Beijing, China. In vitro adsorption and invasion of YS19 on host plant root were studied in this research. Adsorption of YS19 on rice seedling roots closely resembled the Langmuir adsorption and showed a higher adsorption quantity than the control strains Paenibacillus polymyxa WY110 (a rhizospheric bacterium from the same rice cultivar) and Escherichia coli HB101 (a general model bacterium). Adsorption dynamics study revealed high rates and a long duration of the YS19-rice root adsorption process. Adsorption of YS19 was mainly observed on the root hair, though which it enters the plant. This in vitro adsorption study revealed an apparent strong interaction between YS19 and rice at the early endophyte-host recognition stage.

  15. Measurement of the strong-interaction shift and broadening of the ground state of the panti p atom

    International Nuclear Information System (INIS)

    Ziegler, M.; Duch, K.D.; Heel, M.; Kalinowsky, H.; Kayser, F.; Klempt, E.; Rieger, R.; Schreiber, O.; Straumann, U.; Weidenauer, P.; Ahmad, S.; Comyn, M.; Armenteros, R.; Bailey, D.; Barlag, S.; Gastaldi, U.; Landua, R.; Auld, E.G.; Axen, D.A.; Erdman, K.L.; Howard, B.; Howard, R.; White, B.L.; Beer, G.A.; Marshall, G.M.; Robertson, L.P.; Bizot, J.C.; Delcourt, B.; Jeanjean, J.; Nguyen, H.; Dahme, W.; Feld-Dahme, F.; Schaefer, U.; Wodrich, W.R.; Prevot, N.; Sabev, C.

    1988-01-01

    The K α X-rays from panti p atoms formed in H 2 gas at normal temperature and pressure are unambiguously identified by coincidences with L X-rays populating the 2P level. Background due to inner bremsstrahlung is suppressed by selecting events annihilating into neutral final states only. The K α line is observed with a significance of more than 25 standard deviations at an energy of 8.67(15) keV. From fits to the K α line we obtain a strong-interaction shift and width of the 1S level, averaged over the unresolved spin singlet and triplet contributions, of ΔE + iΓ/2 = [-0.70(15) + i0.80(2)] keV. (orig.)

  16. Insights into the Hendra virus NTAIL-XD complex: Evidence for a parallel organization of the helical MoRE at the XD surface stabilized by a combination of hydrophobic and polar interactions.

    Science.gov (United States)

    Erales, Jenny; Beltrandi, Matilde; Roche, Jennifer; Maté, Maria; Longhi, Sonia

    2015-08-01

    The Hendra virus is a member of the Henipavirus genus within the Paramyxoviridae family. The nucleoprotein, which consists of a structured core and of a C-terminal intrinsically disordered domain (N(TAIL)), encapsidates the viral genome within a helical nucleocapsid. N(TAIL) partly protrudes from the surface of the nucleocapsid being thus capable of interacting with the C-terminal X domain (XD) of the viral phosphoprotein. Interaction with XD implies a molecular recognition element (MoRE) that is located within N(TAIL) residues 470-490, and that undergoes α-helical folding. The MoRE has been proposed to be embedded in the hydrophobic groove delimited by helices α2 and α3 of XD, although experimental data could not discriminate between a parallel and an antiparallel orientation of the MoRE. Previous studies also showed that if the binding interface is enriched in hydrophobic residues, charged residues located close to the interface might play a role in complex formation. Here, we targeted for site directed mutagenesis two acidic and two basic residues within XD and N(TAIL). ITC studies showed that electrostatics plays a crucial role in complex formation and pointed a parallel orientation of the MoRE as more likely. Further support for a parallel orientation was afforded by SAXS studies that made use of two chimeric constructs in which XD and the MoRE were covalently linked to each other. Altogether, these studies unveiled the multiparametric nature of the interactions established within this complex and contribute to shed light onto the molecular features of protein interfaces involving intrinsically disordered regions. Copyright © 2015 Elsevier B.V. All rights reserved.

  17. Dynamical models of hadrons based on string model and behaviour of strongly interacting matter at high density

    International Nuclear Information System (INIS)

    Senda Ikuo.

    1991-05-01

    We propose dynamical models of hadrons, the nucleation model and the free-decay model, in which results of string model are used to represent interactions. The dynamical properties of hadrons, which are obtained by string model, are examined and their parameters are fitted by experimental data. The equilibrium properties of hadrons at high density are investigated by the nucleation model and we found a singular behaviour at energy density 3 ∼ 5 GeV/fm 3 , where hadrons coalesce to create highly excited states. We argue that this singular behaviour corresponds to the phase transition to quark-gluon plasma. The possibility to observe the production of high density strongly interacting matter at collider experiments are discussed using the free-decay model, which produces pion distributions as decay products of resonances. We show that our free-decay model recovers features of hadron distributions obtained in hadron collision experiments. Finally the perspectives and extensions are discussed. (author). 34 refs, 19 figs, 2 tabs

  18. Effects of strong interactions between Ti and ceria on the structures of Ti/CeO2.

    Science.gov (United States)

    Yao, Xiao-Dan; Zhu, Kong-Jie; Teng, Bo-Tao; Yu, Cao-Ming; Zhang, Yun-Lei; Liu, Ya; Fan, Maohong; Wen, Xiao-Dong

    2016-11-30

    The effects of strong interactions between Ti and ceria on the structures of Ti/CeO 2 (111) are systematically investigated by density functional theory calculation. To our best knowledge, the adsorption energy of a Ti atom at the hollow site of CeO 2 is the highest value (-7.99 eV) reported in the literature compared with those of Au (-0.88--1.26 eV), Ag (-1.42 eV), Cu (-2.69 eV), Pd (-1.75 eV), Pt (-2.62 eV) and Sn (-3.68 eV). It is very interesting to find that Ti adatoms disperse at the hollow site of CeO 2 (111) to form surface TiO x species, instead of aggregating to form Ti metal clusters for the Ti-CeO 2 interactions that are much stronger than those of Ti-Ti ones. Ti adatoms are completely oxidized to Ti 4+ ions if they are monatomically dispersed on the next near hollow sites of CeO 2 (111) (xTi-NN-hollow); while Ti 3+ ions are observed when they locate at the near hollow sites (xTi-N-hollow). Due to the electronic repulsive effects among Ti 3+ ions, the adsorption energies of xTi-N-hollow are slightly weaker than those of xTi-NN-hollow. Simultaneously, the existence of unstable Ti 3+ ions on xTi-N-hollow also leads to the restructuring of xTi-N-hollow by surface O atoms of ceria transferring to the top of Ti 3+ ions, or oxidation by O 2 adsorption and dissociation. Both processes improve the stability of the xTi/CeO 2 system by Ti 3+ oxidation. Correspondingly, surface TiO 2 -like species form. This work sheds light into the structures of metal/CeO 2 catalysts with strong interactions between the metal and the ceria support.

  19. The new view of hydrophobic free energy.

    Science.gov (United States)

    Baldwin, Robert L

    2013-04-17

    In the new view, hydrophobic free energy is measured by the work of solute transfer of hydrocarbon gases from vapor to aqueous solution. Reasons are given for believing that older values, measured by solute transfer from a reference solvent to water, are not quantitatively correct. The hydrophobic free energy from gas-liquid transfer is the sum of two opposing quantities, the cavity work (unfavorable) and the solute-solvent interaction energy (favorable). Values of the interaction energy have been found by simulation for linear alkanes and are used here to find the cavity work, which scales linearly with molar volume, not accessible surface area. The hydrophobic free energy is the dominant factor driving folding as judged by the heat capacity change for transfer, which agrees with values for solvating hydrocarbon gases. There is an apparent conflict with earlier values of hydrophobic free energy from studies of large-to-small mutations and an explanation is given. Copyright © 2013 Federation of European Biochemical Societies. Published by Elsevier B.V. All rights reserved.

  20. Evidence for carbon flux shortage and strong carbon/nitrogen interactions in pea nodules at early stages of water stress.

    Science.gov (United States)

    Gálvez, Loli; González, Esther M; Arrese-Igor, Cesar

    2005-09-01

    Symbiotic N2 fixation in legume nodules declines under a wide range of environmental stresses. A high correlation between N2 fixation decline and sucrose synthase (SS; EC 2.4.1.13) activity down-regulation has been reported, although it has still to be elucidated whether a causal relationship between SS activity down-regulation and N2 fixation decline can be established. In order to study the likely C/N interactions within nodules and the effects on N2 fixation, pea plants (Pisum sativum L. cv. Sugar snap) were subjected to progressive water stress by withholding irrigation. Under these conditions, nodule SS activity declined concomitantly with apparent nitrogenase activity. The levels of UDP-glucose, glucose-1-phosphate, glucose-6-phosphate, and fructose-6-phosphate decreased in water-stressed nodules compared with unstressed nodules. Drought also had a marked effect on nodule concentrations of malate, succinate, and alpha-ketoglutarate. Moreover, a general decline in nodule adenylate content was detected. NADP+-dependent isocitrate dehydrogenase (ICDH; EC 1.1.1.42) was the only enzyme whose activity increased as a result of water deficit, compensating for a possible C/N imbalance and/or supplying NADPH in circumstances that the pentose phosphate pathway was impaired, as suggested by the decline in glucose-6-phosphate dehydrogenase (G6PDH; EC 1.1.1.49) activity. The overall results show the occurrence of strong C/N interactions in nodules subjected to water stress and support a likely limitation of carbon flux that might be involved in the decline of N2 fixation under drought.

  1. Spin-flip configuration interaction singles with exact spin-projection: Theory and applications to strongly correlated systems.

    Science.gov (United States)

    Tsuchimochi, Takashi

    2015-10-14

    Spin-flip approaches capture static correlation with the same computational scaling as the ordinary single reference methods. Here, we extend spin-flip configuration interaction singles (SFCIS) by projecting out intrinsic spin-contamination to make it spin-complete, rather than by explicitly complementing it with spin-coupled configurations. We give a general formalism of spin-projection for SFCIS, applicable to any spin states. The proposed method is viewed as a natural unification of SFCIS and spin-projected CIS to achieve a better qualitative accuracy at a low computational cost. While our wave function ansatz is more compact than previously proposed spin-complete SF approaches, it successfully offers more general static correlation beyond biradicals without sacrificing good quantum numbers. It is also shown that our method is invariant with respect to open-shell orbital rotations, due to the uniqueness of spin-projection. We will report benchmark calculations to demonstrate its qualitative performance on strongly correlated systems, including conical intersections that appear both in ground-excited and excited-excited degeneracies.

  2. Proceedings of RIKEN BNL Research Center Workshop: The Approach to Equilibrium in Strongly Interacting Matter. Volume 118

    Energy Technology Data Exchange (ETDEWEB)

    Liao, J. [Brookhaven National Lab. (BNL), Upton, NY (United States); Venugopalan, R. [Brookhaven National Lab. (BNL), Upton, NY (United States); Berges, J. [Brookhaven National Lab. (BNL), Upton, NY (United States); Blaizot, J. -P. [Brookhaven National Lab. (BNL), Upton, NY (United States); Gelis, F. [Brookhaven National Lab. (BNL), Upton, NY (United States)

    2014-04-09

    The RIKEN BNL Research Center (RBRC) was established in April 1997 at Brookhaven National Laboratory*. It is funded by the ''Rikagaku Kenkyusho'' (RIKEN, The Institute of Physical and Chemical Research) of Japan and the U. S. Department of Energy’s Office of Science. The RBRC is dedicated to the study of strong interactions, including spin physics, lattice QCD, and RHIC physics through the nurturing of a new generation of young physicists. The RBRC has theory, lattice gauge computing and experimental components. It is presently exploring the possibility of an astrophysics component being added to the program. The purpose of this Workshop is to critically review the recent progress on the theory and phenomenology of early time dynamics in relativistic heavy ion collisions from RHIC to LHC energies, to examine the various approaches on thermalization and existing issues, and to formulate new research efforts for the future. Topics slated to be covered include Experimental evidence for equilibration/isotropization, comparison of various approaches, dependence on the initial conditions and couplings, and turbulent cascades and Bose-Einstein condensation.

  3. Measurement of the strong interaction coupling constant αs by jet study in the H1 experiment

    International Nuclear Information System (INIS)

    Squinabol, F.

    1997-01-01

    The H1 experiment allows to study hadronic jets produced in deep inelastic lepton (27.5 GeV) scattering off protons (820 GeV). The coupling constant of the strong interaction α s can be extracted from the measurement of the 2-jets rate in the final state. The use of the JADE algorithm is optimal for events with high energy transfer (100-4,000 GeV 2 ), corresponding to the 1994 and 1995 data. The error on α s (M Z 0 2 ) is dominated by the uncertainty from the hadronic energy measurement and the experimental resolution effects on jets. The theoretical error is dominated by the renormalization scale dependence. The final result is (M Z 0 2 ) 0.118 -0.008 +0.008 . This analysis is extended to smaller momentum transfers (25-100 GeV 2 ) using the factorizable K t algorithm, taking the transferred momentum as energy scale of the particle re-clustering. The result α s (M Z 0 2 ) 0.117 -0.008 +0.009 is compatible with the previous one. The precision of the measurement performed in this thesis is 7%. A precision of 4% could be achieved after progresses in the theoretical framework and/or after a significant increase of the luminosity. (author)

  4. Aacsfi-PSC. Advanced accelerator concepts for strong field interaction simulated with the Plasma-Simulation-Code

    Energy Technology Data Exchange (ETDEWEB)

    Ruhl, Hartmut [Munich Univ. (Germany). Chair for Computational and Plasma Physics

    2016-11-01

    Since the installation of SuperMUC phase 2 the 9216 nodes of phase 1 are more easily available for large scale runs allowing for the thin foil and AWAKE simulations. Besides phase 2 could be used in parallel for high throughput of the ion acceleration simulations. Challenging to our project were the full-volume checkpoints required by PIC that strained the I/O-subsystem of SuperMUC to its limits. New approaches considered for the next generation system, like burst buffers could overcome this bottleneck. Additionally, as the FDTD solver in PIC is strongly bandwidth bound, PSC will benefit profoundly from high-bandwidth memory (HBM) that most likely will be available in future HPC machines. This will be of great advantage as in 2018 phase II of AWAKE should begin, with a longer plasma channel further increasing the need for additional computing resources. Last but not least, it is expected that our methods used in plasma physics (many body interaction with radiation) will be more and more adapted for medical diagnostics and treatments. For this research field we expect centimeter sized volumes with necessary resolutions of tens of micro meters resulting in boxes of >10{sup 12} voxels (100-200 TB) on a regular basis. In consequence the demand for computing time and especially for data storage and data handling capacities will also increase significantly.

  5. Defining intrinsic hydrophobicity of amino acids' side chains in random coil conformation. Reversed-phase liquid chromatography of designed synthetic peptides vs. random peptide data sets.

    Science.gov (United States)

    Shamshurin, Dmitry; Spicer, Vic; Krokhin, Oleg V

    2011-09-16

    The two leading RP-HPLC approaches for deriving hydrophobicity values of amino acids utilize either sets of designed synthetic peptides or extended random datasets often extracted from proteomics experiments. We find that the best examples of these two methods provide virtually identical results--with exception of Lys, Arg, and His. The intrinsic hydrophobicity values of the remaining residues as determined by Kovacs et al. (Biopolymers 84 (2006) 283) correlates with an R(2)-value of 0.995+ against amino acid retention coefficients from our Sequence Specific Retention Calculator model (Anal. Chem. 78 (2006) 7785). This novel finding lays the foundation for establishing consensus amino acids hydrophobicity scales as determined by RP-HPLC. Simultaneously, we find the assignment of hydrophobicity values for charged residues (Lys, Arg and His at pH 2) is ambiguous; their retention contribution is strongly affected by the overall peptide hydrophobicity. The unique behavior of the basic residues is related to the dualistic character of the RP peptide retention mechanism, where both hydrophobic and ion-pairing interactions are involved. We envision the introduction of "sliding" hydrophobicity scales for charged residues as a new element in peptide retention prediction models. We also show that when using a simple additive retention prediction model, the "correct" coefficient value optimization (0.98+ correlation against values determined by synthetic peptide approach) requires a training set of at least 100 randomly selected peptides. Copyright © 2011 Elsevier B.V. All rights reserved.

  6. Water on a Hydrophobic surface

    Science.gov (United States)

    Scruggs, Ryan; Zhu, Mengjue; Poynor, Adele

    2012-02-01

    Hydrophobicity, meaning literally fear of water, is exhibited on the surfaces of non-stick cooking pans and water resistant clothing, on the leaves of the lotus plan, or even during the protein folding process in our bodies. Hydrophobicity is directly measured by determining a contact angle between water and an objects surface. Associated with a hydrophobic surface is the depletion layer, a low density region approximately 0.2 nm thick. We study this region by comparing data found in lab using surface plasmon resonance techniques to theoretical calculations. Experiments use gold slides coated in ODT and Mercapto solutions to model both hydrophobic and hydrophilic surfaces respectively.

  7. Hydrophilic and hydrophobic adsorption on Y zeolites

    Science.gov (United States)

    Halasz, Istvan; Kim, Song; Marcus, Bonnie

    The uniform large micropores of hydrothermally stable Y zeolites are used widely to confine both polar and non-polar molecules. This paper compares the physisorption of water, methanol, cyclohexane, benzene and other adsorbates over various Y zeolites. These adsorbents are commercial products with reproducibly controllable physical and chemical characteristics. Results indicate that the type I isotherms typical for micropore adsorption can turn into type II or type III isotherms depending on either or both the hydrophobicity of the adsorbent and the polarity of the adsorbate. Methanol produced a rare type V isotherm not reported over zeolites before. Canonical and grand canonical Monte Carlo molecular simulations with Metropolis importance sampling reproduced the experimental isotherms and showed characteristic geometric patterns for molecules confined in Na-X, Na-Y, dealuminated Y, and ZSM5 structures. Adsorbate-adsorbate interactions seem to determine the micropore condensation of both polar and non-polar molecules. Exchanged ions and lattice defects play a secondary role in shaping the adsorption isotherms. The force field of hydrophobic Y appears to exert an as yet unexplored sieving effect on adsorbates having different dipole moments and partial charge distributions. This mechanism is apparently different from both the monolayer formation controlled adsorption on hydrophobic mesopores and macropores and the polarizability and small-pore opening controlled micropore confinement in hydrophobic ZSM5.

  8. Exploration of electrostatic interaction in the hydrophobic pocket of lysozyme: Importance of ligand-induced perturbation of the secondary structure on the mode of binding of exogenous ligand and possible consequences.

    Science.gov (United States)

    Panja, Sudipta; Halder, Mintu

    2016-08-01

    Exogenous ligand binding can be adequate to alter the secondary structure of biomolecules besides other external stimuli. In such cases, structural alterations can complicate on the nature of interaction with the exogenous molecules. In order to accommodate the exogenous ligand, the biomolecule has to unfold resulting in a considerable change to its properties. If the bound ligand can be unbound, the biomolecule gets the opportunity to refold back and return to its native state. Keeping this in mind, we have purposely investigated the interaction of tartrazine (TZ), a well abundant azo food colorant, with two homologous lysozymes, namely, human lysozyme (HLZ) and chicken egg white lysozyme (CEWLZ) in physiological pH condition. The binding of TZ with lysozymes has been identified to accompany a ligand-induced secondary structure alteration as indicated by the circular dichroism spectra, and the reduction of α-helical content is more with HLZ than CEWLZ. Interestingly, the binding is identified to occur in the electronic ground state of TZ with lysozyme in its hydrophobic cavity, containing excess of positive charge, predominantly via electrostatic interaction. With increase of salinity of the medium the protein tends to refold back due to wakening of electrostatic forces and consequent reduction of strength of ligand interaction and unbinding. The entropy enthalpy compensation (EEC) has been probed to understand the binding features and it is found that CEWLZ-TZ shows better compensation than HLZ-TZ complex. This is presumably due to the fact that with CEWLZ the binding does not accompany substantial change in the protein secondary structure and hence ineffective to scramble the EEC. The present study initiates the importance of ligand-perturbed structural alteration of biomolecule in controlling the thermodynamics of binding. If there is a considerable alteration of the protein secondary structure due to binding, it is indicative that such changes should bring in

  9. Surface Hydrophobicity Causes SO2 Tolerance in Lichens

    Science.gov (United States)

    Hauck, Markus; Jürgens, Sascha-René; Brinkmann, Martin; Herminghaus, Stephan

    2008-01-01

    Background and Aims The superhydrophobicity of the thallus surface in one of the most SO2-tolerant lichen species, Lecanora conizaeoides, suggests that surface hydrophobicity could be a general feature of lichen symbioses controlling their tolerance to SO2. The study described here tests this hypothesis. Methods Water droplets of the size of a raindrop were placed on the surface of air-dry thalli in 50 lichen species of known SO2 tolerance and contact angles were measured to quantify hydrophobicity. Key Results The wettability of lichen thalli ranges from strongly hydrophobic to strongly hydrophilic. SO2 tolerance of the studied lichen species increased with increasing hydrophobicity of the thallus surface. Extraction of extracellular lichen secondary metabolites with acetone reduced, but did not abolish the hydrophobicity of lichen thalli. Conclusions Surface hydrophobicity is the main factor controlling SO2 tolerance in lichens. It presumably originally evolved as an adaptation to wet habitats preventing the depression of net photosynthesis due to supersaturation of the thallus with water. Hydrophilicity of lichen thalli is an adaptation to dry or humid, but not directly rain-exposed habitats. The crucial role of surface hydrophobicity in SO2 also explains why many markedly SO2-tolerant species are additionally tolerant to other (chemically unrelated) toxic substances including heavy metals. PMID:18077467

  10. Evaluating the performance of different multicolumn setups for chromatographic separation of proteins on hydrophobic interaction chromatography media by a numerical study.

    Science.gov (United States)

    Bochenek, Roman; Marek, Wojciech; Piątkowski, Wojciech; Antos, Dorota

    2013-08-02

    A theoretical study has been performed on the effectiveness of isolating a target component out of a multi-component protein mixture using different arrangements of chromatographic columns. Three continuous systems have been considered which were able to perform solvent gradient separations, such as: open loop simulated moving bed, countercurrent solvent gradient purification and carousel multicolumn setup. The performance of the continuous processes was examined with respect to productivity, yield and eluent consumption and compared to a single-column batch system. As a case study separation of a ternary mixture of proteins on HIC media has been selected. Two separation problems have been analyzed referring to the situation when the target component was the most strongly adsorbed as well as when it exhibited intermediate adsorption strength. A mathematical model has been used to simulate the process dynamics and to optimize operating conditions for the separation. The numerical study indicated that batch column arrangements can outperform SMB-based configurations regarding all performance indicators considered, which has been attributed to solvent mixing in the recycled streams and distortion of the gradient shape in SMB units. It has been concluded that the performance of complex multicolumn systems should be verified vs. batch column operations prior to the realization of the separation process. Copyright © 2013 Elsevier B.V. All rights reserved.

  11. The hydrophobic effect: Molecular dynamics simulations of water confined between extended hydrophobic and hydrophilic surfaces

    DEFF Research Database (Denmark)

    Jensen, Morten Østergaard; Mouritsen, Ole G.; Peters, Günther H.J.

    2004-01-01

    Structural and dynamic properties of water confined between two parallel, extended, either hydrophobic or hydrophilic crystalline surfaces of n-alkane C36H74 or n-alcohol C35H71OH, are studied by molecular dynamics simulations. Electron density profiles, directly compared with corresponding...... at both surfaces. The ordering is characteristically different between the surfaces and of longer range at the hydrophilic surface. Furthermore, the dynamic properties of water are different at the two surfaces and different from the bulk behavior. In particular, at the hydrophobic surface, time......-correlation functions reveal that water molecules have characteristic diffusive behavior and orientational ordering due to the lack of hydrogen bonding interactions with the surface. These observations suggest that the altered dynamical properties of water in contact with extended hydrophobic surfaces together...

  12. Hydrophobicity – Shake Flasks, Protein Folding and Drug Discovery

    Science.gov (United States)

    Sarkar, Aurijit; Kellogg, Glen E.

    2009-01-01

    Hydrophobic interactions are some of the most important interactions in nature. They are the primary driving force in a number of phenomena. This is mostly an entropic effect and can account for a number of biophysical events such as protein-protein or protein-ligand binding that are of immense importance in drug design. The earliest studies on this phenomenon can be dated back to the end of the 19th century when Meyer and Overton independently correlated the hydrophobic nature of gases to their anesthetic potency. Since then, significant progress has been made in this realm of science. This review briefly traces the history of hydrophobicity research along with the theoretical estimation of partition coefficients. Finally, the application of hydrophobicity estimation methods in the field of drug design and protein folding is discussed. PMID:19929828

  13. Hydrophobic-hydrophilic forces in protein folding.

    Science.gov (United States)

    Durell, Stewart R; Ben-Naim, Arieh

    2017-08-01

    The process of protein folding is obviously driven by forces exerted on the atoms of the amino-acid chain. These forces arise from interactions with other parts of the protein itself (direct forces), as well as from interactions with the solvent (solvent-induced forces). We present a statistical-mechanical formalism that describes both these direct and indirect, solvent-induced thermodynamic forces on groups of the protein. We focus on 2 kinds of protein groups, commonly referred to as hydrophobic and hydrophilic. Analysis of this result leads to the conclusion that the forces on hydrophilic groups are in general stronger than on hydrophobic groups. This is then tested and verified by a series of molecular dynamics simulations, examining both hydrophobic alkanes of different sizes and hydrophilic moieties represented by polar-neutral hydroxyl groups. The magnitude of the force on assemblies of hydrophilic groups is dependent on their relative orientation: with 2 to 4 times larger forces on groups that are able to form one or more direct hydrogen bonds. © 2017 Wiley Periodicals, Inc.

  14. Forces and friction between hydrophilic and hydrophobic surfaces: influence of oleate species.

    Science.gov (United States)

    Theander, Katarina; Pugh, Robert J; Rutland, Mark W

    2007-09-15

    The atomic force microscope has been used to investigate normal surface forces and lateral friction forces at different concentrations of sodium oleate, a frequently used fatty acid in the deinking process. The measurements have been performed using the colloidal probe technique with bead materials consisting of cellulose and silica. Cellulose was used together with a printing ink alkyd resin and mica, whereas silica was used with a hydrophobized silica wafer. The cellulose-alkyd resin system showed stronger double layer repulsion and the friction was reduced with increasing surfactant concentration. The adhesive interaction disappeared immediately on addition of sodium oleate. The normal surface forces for cellulose-mica indicated no apparent adsorption of the sodium oleate however, the friction coefficient increased on addition of sodium oleate, which we ascribe to some limited adsorption increasing the effective surface roughness. The silica-hydrophobic silica system showed a completely different surface force behavior at the different concentrations. An attractive hydrophobic interaction was evident since the surfaces jumped into adhesive contact at a longer distance than the van der Waals forces would predict. The strong adhesion was reflected in the friction forces as a nonlinear relationship between load and friction and a large friction response at zero applied load. Indirect evidence of adsorption to the hydrophilic silica surface was also observed in this case, and QCM studies were performed to confirm the adsorption of material to both surfaces.

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

    DEFF Research Database (Denmark)

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

    2012-01-01

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

  16. A Comprehensive Analysis of Jet Quenching via a Hybrid Strong/Weak Coupling Model for Jet-Medium Interactions

    Energy Technology Data Exchange (ETDEWEB)

    Casalderrey-Solana, Jorge [Departament d' Estructura i Constituents de la Matèria and Institut de Ciències del Cosmos (ICCUB), Universitat de Barcelona, Martí i Franquès 1, 08028 Barcelona (Spain); Rudolf Peierls Centre for Theoretical Physics, University of Oxford, 1 Keble Road, Oxford OX1 3NP (United Kingdom); Gulhan, Doga Can [Laboratory for Nuclear Science and Department of Physics, Massachusetts Institute of Technology, Cambridge, MA 02139 (United States); Milhano, José Guilherme [CENTRA, Instituto Superior Técnico, Universidade de Lisboa, Av. Rovisco Pais, P-1049-001 Lisboa (Portugal); Physics Department, Theory Unit, CERN, CH-1211 Genève 23 (Switzerland); Pablos, Daniel [Departament d' Estructura i Constituents de la Matèria and Institut de Ciències del Cosmos (ICCUB), Universitat de Barcelona, Martí i Franquès 1, 08028 Barcelona (Spain); Rajagopal, Krishna [Laboratory for Nuclear Science and Department of Physics, Massachusetts Institute of Technology, Cambridge, MA 02139 (United States)

    2016-12-15

    Within a hybrid strong/weak coupling model for jets in strongly coupled plasma, we explore jet modifications in ultra-relativistic heavy ion collisions. Our approach merges the perturbative dynamics of hard jet evolution with the strongly coupled dynamics which dominates the soft exchanges between the fast partons in the jet shower and the strongly coupled plasma itself. We implement this approach in a Monte Carlo, which supplements the DGLAP shower with the energy loss dynamics as dictated by holographic computations, up to a single free parameter that we fit to data. We then augment the model by incorporating the transverse momentum picked up by each parton in the shower as it propagates through the medium, at the expense of adding a second free parameter. We use this model to discuss the influence of the transverse broadening of the partons in a jet on intra-jet observables. In addition, we explore the sensitivity of such observables to the back-reaction of the plasma to the passage of the jet.

  17. Enhancing the hydrophobic effect in confined water nanodrops.

    Science.gov (United States)

    Rao, Palla Venkata Gopala; Gandhi, K S; Ayappa, K G

    2007-12-18

    The distribution of hydrophobic solutes, such as methane, enclosed in a nanosized water droplet contained in a reverse micelle of diameter 2.82 nm is investigated using Monte Carlo simulations. The effect of the hydrophobic solute's atomic diameter on the solute-solute potential of mean force is also studied. The study reveals that confinement has a strong influence on the solute's tendency to associate. The potential of mean force exhibits only a single minimum, indicating that the contact pair is the only stable configuration between solutes. The solvent-separated pair that is universally observed for small solutes in bulk water is conspicuously absent. This enhanced hydrophobic effect is attributed to the lack of sufficient water to completely hydrate and stabilize the solvent-separated configurations. The study is expected to be important in understanding the role of hydrophobic forces during protein folding and nucleation under confinement.

  18. Wear resistance of hydrophobic surfaces

    Science.gov (United States)

    Martinez, MA; Abenojar, J.; Pantoja, M.; López de Armentia, S.

    2017-05-01

    Nature has been an inspiration source to develop artificial hydrophobic surfaces. During the latest years the development of hydrophobic surfaces has been widely researched due to their numerous ranges of industrial applications. Industrially the use of hydrophobic surfaces is being highly demanded. This is why many companies develop hydrophobic products to repel water, in order to be used as coatings. Moreover, these coating should have the appropriated mechanical properties and wear resistance. In this work wear study of a hydrophobic coating on glass is carried out. Hydrophobic product used was Sika Crystal Dry by Sika S.A.U. (Alcobendas, Spain). This product is currently used on car windshield. To calculate wear resistance, pin-on-disk tests were carried out in dry and water conditions. The test parameters were rate, load and sliding distance, which were fixed to 60 rpm, 5 N and 1000 m respectively. A chamois was used as pin. It allows to simulate a real use. The friction coefficient and loss weight were compared to determinate coating resistance

  19. Pesticide interactions with soil affected by olive mill wastewater (OMW): how strong and long-lasting is the OMW effect?

    Science.gov (United States)

    Keren, Yonatan; Borisover, Mikhail; Schaumann, Gabriele E.; Diehl, Dörte; Tamimi, Nisreen; Bukhanovsky, Nadezhda

    2017-04-01

    Sorption interactions with soils are well known to control the environmental fate of multiple organic compounds including pesticides. Pesticide-soil interactions may be affected by organic amendments or organic matter (OM)-containing wastewater brought to the field. Specifically, land spreading of olive mill wastewater (OMW), occurring intentionally or not, may also influence pesticide-soil interactions. The effects of the OMW disposed in the field on soil properties, including their ability to interact with pesticides, become of great interest due to the increasing demand for olive oil and a constant growth of world oil production. This paper summarizes some recent findings related to the effect of prior OMW land application on the ability of soils to interact with the organic compounds including pesticides, diuron and simazine. The major findings are as following: (1) bringing OMW to the field increases the potential of soils to sorb non-ionized pesticides; (2) this sorption increase may not be related solely to the increase in soil organic carbon content but it can reflect also the changes in the soil sorption mechanisms; (3) increased pesticide interactions with OMW-affected soils may become irreversible, due, assumedly, to the swelling of some components of the OMW-treated soil; (4) enhanced pesticide-soil interactions mitigate with the time passed after the OMW application, however, in the case of diuron, the remaining effect could be envisioned at least 600 days after the normal OMW application; (5) the enhancement effect of OMW application on soil sorption may increase with soil depth, in the 0-10 cm interval; (6) at higher pesticide (diuron) concentrations, larger extents of sorption enhancement, following the prior OMW-soil interactions, may be expected; (7) disposal of OMW in the field may be seasonal-dependent, and, in the case studied, it led to more distinct impacts on sorption when carried out in spring and winter, as compared with summer. It appears

  20. Hydrophobic interactions of phenoxazine modulators with bovine ...

    Indian Academy of Sciences (India)

    Author Affiliations. H N Kalpana1 B C Channu1 Chhabil Dass2 P J Houghton3 K N Thimmaiah1. Department of Studies in Chemistry, University of Mysore, Manasagangotri, Mysore 570 006, India; Department of Chemistry, University of Memphis, Memphis, TN 38151, USA; Department of Molecular Pharmacology, St. Jude ...

  1. Identification and characterization of hydrophobic gate residues in TRP channels.

    Science.gov (United States)

    Zheng, Wang; Hu, Ruikun; Cai, Ruiqi; Hofmann, Laura; Hu, Qiaolin; Fatehi, Mohammad; Long, Wentong; Kong, Tim; Tang, Jingfeng; Light, Peter; Flockerzi, Veit; Cao, Ying; Chen, Xing-Zhen

    2018-02-01

    Transient receptor potential (TRP) channels, subdivided into 6 subfamilies in mammals, have essential roles in sensory physiology. They respond to remarkably diverse stimuli, comprising thermal, chemical, and mechanical modalities, through opening or closing of channel gates. In this study, we systematically substituted the hydrophobic residues within the distal fragment of pore-lining helix S6 with hydrophilic residues and, based on Xenopus oocyte and mammalian cell electrophysiology and a hydrophobic gate theory, identified hydrophobic gates in TRPV6/V5/V4/C4/M8. We found that channel activity drastically increased when TRPV6 Ala616 or Met617 or TRPV5 Ala576 or Met577 , but not any of their adjacent residues, was substituted with hydrophilic residues. Channel activity strongly correlated with the hydrophilicity of the residues at those sites, suggesting that consecutive hydrophobic residues TRPV6 Ala616-Met617 and TRPV5 Ala576-Met577 form a double-residue gate in each channel. By the same strategy, we identified a hydrophobic single-residue gate in TRPV4 Iso715 , TRPC4 Iso617 , and TRPM8 Val976 . In support of the hydrophobic gate theory, hydrophilic substitution at the gate site, which removes the hydrophobic gate seal, substantially increased the activity of TRP channels in low-activity states but had little effect on the function of activated channels. The double-residue gate channels were more sensitive to small changes in the gate's hydrophobicity or size than single-residue gate channels. The unconventional double-reside gating mechanism in TRP channels may have been evolved to respond especially to physiologic stimuli that trigger relatively small gate conformational changes.-Zheng, W., Hu, R., Cai, R., Hofmann, L., Hu, Q., Fatehi, M., Long, W., Kong, T., Tang, J., Light, P., Flockerzi, V., Cao, Y., Chen, X.-Z. Identification and characterization of hydrophobic gate residues in TRP channels.

  2. Experimental and numerical study of the strong interaction between wakes of cylindrical obstacles; Etude experimentale et numerique de l'interaction forte entre sillages d'obstacles cylindriques

    Energy Technology Data Exchange (ETDEWEB)

    Brun, Ch

    1998-04-02

    In the context of thermal-hydraulics of nuclear reactors, strong interaction between wakes is encountered in the bottom of reactor vessels where control and measurement rods of variable size and disposition interact with the overall wakes generated in these flow zones. This study deals with the strong interaction between two wakes developed downstream of two parallel cylinders with a small spacing. The analysis focusses on the effect of the Reynolds regime which controls the equilibrium between the inertia and viscosity forces of the fluid and influences the large scale behaviour of the flow with the development of hydrodynamic instabilities and turbulence. The document is organized as follows: the characteristic phenomena of wakes formation downstream of cylindrical obstacles are recalled in the first chapter (single cylinder, interaction between two tubes, case of a bundle of tubes perpendicular to the flow). The experimental setup (hydraulic loop, velocity and pressure measurement instrumentation) and the statistical procedures applied to the signals measured are detailed in chapters 2 and 3. Chapter 4 is devoted to the experimental study of the strong interaction between two tubes. Laser Doppler velocity measurements in the wakes close to cylinders and pressure measurements performed on tube walls are reported in this chapter. In chapter 5, a 2-D numerical simulation of two typical cases of interaction (Re = 1000 and Re = 5000) is performed. In the last chapter, a more complex application of strong interactions inside and downstream of a bunch of staggered tubes is analyzed experimentally for equivalent Reynolds regimes. (J.S.)

  3. INTERACTION OF LASER RADIATION WITH MATTER. LASER PLASMA: Self-pumped passive ring mirror in crystals with strong fanning

    Science.gov (United States)

    Bogodaev, N. V.; Zozulya, A. A.; Ivleva, Lyudmila I.; Korshunov, A. S.; Mamaev, A. V.; Polozkov, N. M.

    1992-05-01

    Most photorefractive crystals suitable for four-wave systems of phase self-conjugation and mutual conjugation have a fairly high level of light-induced scattering (fanning). This may imply that the nonlinearity of a crystal is too strong for optimal operation and a reduction in this nonlinearity would improve the characteristics. This statement is illustrated theoretically and experimentally using the geometry of a loop parametric oscillator as an example.

  4. Limits on cosmological variation of strong interaction and quark masses from big bang nucleosynthesis, cosmic, laboratory and Oklo data

    International Nuclear Information System (INIS)

    Flambaum, V.V.; Shuryak, E.V.

    2002-01-01

    Recent data on the cosmological variation of the electromagnetic fine structure constant from distant quasar (QSO) absorption spectra have inspired a more general discussion of the possible variation of other constants. We discuss the variation of strong scale and quark masses. We derive limits on their relative change from (i) primordial big bang nucleosynthesis, (ii) the Oklo natural nuclear reactor, (iii) quasar absorption spectra, and (iv) laboratory measurements of hyperfine intervals

  5. Investigation of the source size and strong interaction with the femtoscopic correlations of baryons and antibaryons in heavy-ion collisions registered by ALICE

    CERN Document Server

    AUTHOR|(INSPIRE)INSPIRE-00508100

    The strong interaction is one of the four fundamental forces of nature. It binds together quarks inside protons and neutrons (which are example of baryons - particles composed of three quarks) and assures the stability of the atomic nucleus. Parameters describing the strong potential are also crucial for the neutron stars models used in astrophysics. What is more, a precise study of strongly interacting particles may help to better understand the process of baryon annihilation. The current knowledge of the strong interactions between baryons other than nucle- ons is limited - there exist only a few measurements of the cross sections for pairs of (anti)baryons. The reason is that in many cases it is not possible to perform scattering experiments with beams of particles and antiparticles, as the exotic matter (such as Λ, Ξ or Σ baryons) is very shot-living. This issue can be solved thanks to the recent particle colliders like the Large Hadron Collider and experiments dedicated to study the heavy-ion collisio...

  6. Effect of exotic long-lived sub-strongly interacting massive particles in big bang nucleosynthesis and a new solution to the Li problem

    Directory of Open Access Journals (Sweden)

    Kawasaki Masahiro

    2012-02-01

    Full Text Available The plateau of 7Li abundance as a function of the iron abundance by spectroscopic observations of metal-poor halo stars (MPHSs indicates its primordial origin. The observed abundance levels are about a factor of three smaller than the primordial 7Li abundance predicted in the standard Big Bang Nucleosynthesis (BBN model. This discrepancy might originate from exotic particle and nuclear processes operating in BBN epoch. Some particle models include heavy (m >> 1 GeV long-lived colored particles which would be confined inside exotic heavy hadrons, i.e., strongly interacting massive particles (SIMPs. We have found reactions which destroy 7Be and 7Li during BBN in the scenario of BBN catalyzed by a long-lived sub-strongly interacting massive particle (sub-SIMP, X. The reactions are non radiative X captures of 7 Be and 7Li which can be operative if the X particle interacts with nuclei strongly enough to drive 7 Be destruction but not strongly enough to form a bound state with 4 He of relative angular momentum L = 1. We suggest that 7Li problem can be solved as a result of a new process beyond the standard model through which the observable signature was left on the primordial Li abundance.

  7. Average and extreme multi-atom Van der Waals interactions: Strong coupling of multi-atom Van der Waals interactions with covalent bonding

    Directory of Open Access Journals (Sweden)

    Finkelstein Alexei V

    2007-07-01

    Full Text Available Abstract Background The prediction of ligand binding or protein structure requires very accurate force field potentials – even small errors in force field potentials can make a 'wrong' structure (from the billions possible more stable than the single, 'correct' one. However, despite huge efforts to optimize them, currently-used all-atom force fields are still not able, in a vast majority of cases, even to keep a protein molecule in its native conformation in the course of molecular dynamics simulations or to bring an approximate, homology-based model of protein structure closer to its native conformation. Results A strict analysis shows that a specific coupling of multi-atom Van der Waals interactions with covalent bonding can, in extreme cases, increase (or decrease the interaction energy by about 20–40% at certain angles between the direction of interaction and the covalent bond. It is also shown that on average multi-body effects decrease the total Van der Waals energy in proportion to the square root of the electronic component of dielectric permittivity corresponding to dipole-dipole interactions at small distances, where Van der Waals interactions take place. Conclusion The study shows that currently-ignored multi-atom Van der Waals interactions can, in certain instances, lead to significant energy effects, comparable to those caused by the replacement of atoms (for instance, C by N in conventional pairwise Van der Waals interactions.

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

    Science.gov (United States)

    Li, Jianguo; Beuerman, Roger; Verma, Chandra

    2018-03-01

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

  9. A new scalar resonance at 750 GeV: towards a proof of concept in favor of strongly interacting theories

    International Nuclear Information System (INIS)

    Son, Minho; Urbano, Alfredo

    2016-01-01

    We interpret the recently observed excess in the diphoton invariant mass as a new spin-0 resonant particle. On theoretical grounds, an interesting question is whether this new scalar resonance belongs to a strongly coupled sector or a well-defined weakly coupled theory. A possible UV-completion that has been widely considered in literature is based on the existence of new vector-like fermions whose loop contributions — Yukawa-coupled to the new resonance — explain the observed signal rate. The large total width preliminarily suggested by data seems to favor a large Yukawa coupling, at the border of a healthy perturbative definition. This potential problem can be fixed by introducing multiple vector-like fermions or large electric charges, bringing back the theory to a weakly coupled regime. However, this solution risks to be only a low-energy mirage: large multiplicity or electric charge can dangerously reintroduce the strong regime by modifying the renormalization group running of the dimensionless couplings. This issue is also tightly related to the (in)stability of the scalar potential. First, we study — in the theoretical setup described above — the parametric behavior of the diphoton signal rate, total width, and one-loop β functions. Then, we numerically solve the renormalization group equations, taking into account the observed diphoton signal rate and total width, to investigate the fate of the weakly coupled theory. We find that — with the only exception of few fine-tuned directions — weakly coupled interpretations of the excess are brought back to a strongly coupled regime if the running is taken into account.

  10. Micellar solubilization in strongly interacting binary surfactant systems. [Binary surfactant systems of: dodecyltrimethylammonium chloride + sodium dodecyl sulfate; benzyldimethyltetradecylammonium chloride + tetradecyltrimethylammonium chloride

    Energy Technology Data Exchange (ETDEWEB)

    Treiner, C. (Universite Pierre et Marie Curie, Paris (France)); Nortz, M.; Vaution, C. (Faculte de Pharmacie de Paris-sud, Chatenay-Malabry (France))

    1990-07-01

    The apparent partition coefficient P of barbituric acids between micelles and water has been determined in mixed binary surfactant solutions from solubility measurements in the whole micellar composition range. The binary systems chosen ranged from the strongly interacting system dodecyltrimethylammonium chloride + sodium dodecyl sulfate to weakly interacting systems such as benzyldimethyltetradecylammonium chloride + tetradecyltrimethyammonium chloride. In all cases studied, mixed micelle formation is unfavorable to micellar solubilization. A correlation is found between the unlike surfactants interaction energy, as measured by the regular solution parameter {beta} and the solute partition coefficient change upon surfactant mixing. By use of literature data on micellar solubilization in binary surfactant solutions, it is shown that the change of P for solutes which are solubilized by surface adsorption is generally governed by the sign and amplitude of the interaction parameter {beta}.

  11. Strong Cation···π Interactions Promote the Capture of Metal Ions within Metal-Seamed Nanocapsule

    Science.gov (United States)

    2015-01-01

    Thallium ions are transported to the interior of gallium-seamed pyrogallol[4]arene nanocapsules. In comparison to the capture of Cs ions, the extent of which depends on the type and position of the anion employed in the cesium salt, the enhanced strength of Tl···π vs Cs···π interactions facilitates permanent entrapment of Tl+ ions on the capsule interior. “Stitching-up” the capsule seam with a tertiary metal (Zn, Rb, or K) affords new trimetallic nanocapsules in solid state. PMID:25405777

  12. Aharonov-Casher and spin Hall effects in mesoscopic ring structures with strong spin-orbit interaction

    Czech Academy of Sciences Publication Activity Database

    Borunda, M.F.; Liu, X.; Kovalev, A.A.; Liu, X.-J.; Jungwirth, Tomáš; Sinova, J.

    2008-01-01

    Roč. 78, č. 24 (2008), 245315/1-245315/9 ISSN 1098-0121 R&D Projects: GA MŠk LC510; GA AV ČR KAN400100652; GA ČR GEFON/06/E002 EU Projects: European Commission(XE) 015728 - NANOSPIN Institutional research plan: CEZ:AV0Z10100521 Keywords : Aharonov-Casher effect * spin Hall effect * spin-orbit interaction Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.322, year: 2008

  13. Universal low energy physics in one-dimensional multicompnent Fermi gases with a strongly repulsive $\\delta$-function interaction

    OpenAIRE

    Jiang, Yuzhu; He, Peng; Guan, Xi-Wen

    2016-01-01

    It was shown [Chin. Phys. Lett. 28, 020503 (2011)] that at zero temperature the ground state of the one-dimensional (1D) $w$-component Fermi gas coincides with that of the spinless Bose gas in the limit $\\omega\\to \\infty$. This behaviour was experimentally evidenced through a quasi-1D tightly trapping ultracold ${}^{173}$Yb atoms in the recent paper [Nature Physics 10, 198 (2014)]. However, understanding of low temperature behaviour of the Fermi gases with a repulsive interaction acquires spi...

  14. A Test of the Flavor Independence of Strong Interactions in e+e- Annihilation at the Z0 Pole

    Energy Technology Data Exchange (ETDEWEB)

    Muller, David

    1999-09-03

    This thesis presents a comparison of the strong coupling of the gluons to light (ql = u + d + s), c, and b quarks, determined from multijet rates in flavor-tagged samples of approximately 150,000 hadronic Z0 decays recorded with the SLC Large Detector at the SLAC Linear Collider between 1993 and 1995. Flavor separation among primary ql {anti ql} , c{anti c} and b {anti b} final states was made on the basis of the reconstructed mass of long-lived heavy-hadron decay vertices, yielding tags with high purity and low bias against {>=} 3-jet final states. The data obtained imply no flavor dependence within our sensitivity.

  15. Experimental characterization of a strongly coupled solid density plasma generated in a short-pulse laser target interaction

    International Nuclear Information System (INIS)

    Gregori, G.; Hansen, S.B.; Key, M.H.; King, J.; Mackinnon, A.J.; Park, H.; Patel, P.K.; Shepard, R.; Snavely, R.A.; Wilks, S.C.; Glenzer, S.H.

    2005-01-01

    We have measured high resolution copper Kα spectra from a picosecond high intensity laser produced plasma. By fitting the shape of the experimental spectra with a self-consistent-field model which includes all the relevant line shifts from multiply ionized atoms, we are able to infer time and spatially averaged electron temperatures (T e ) and ionization state (Z) in the foil. Our results show increasing values for T e and Z when the overall mass of the target is reduced. In particular, we measure temperatures in excess of 200 eV with Z ∼ 13-14. For these conditions the ion-ion coupling constant is Λ ii ∼ 8-9, thus suggesting the achievement of a strongly coupled plasma regime

  16. Hund Interaction, Spin-Orbit Coupling, and the Mechanism of Superconductivity in Strongly Hole-Doped Iron Pnictides

    Science.gov (United States)

    Vafek, Oskar; Chubukov, Andrey V.

    2017-02-01

    We present a novel mechanism of s -wave pairing in Fe-based superconductors. The mechanism involves holes near dx z/dy z pockets only and is applicable primarily to strongly hole doped materials. We argue that as long as the renormalized Hund's coupling J exceeds the renormalized interorbital Hubbard repulsion U', any finite spin-orbit coupling gives rise to s -wave superconductivity. This holds even at weak coupling and regardless of the strength of the intraorbital Hubbard repulsion U . The transition temperature grows as the hole density decreases. The pairing gaps are fourfold symmetric, but anisotropic, with the possibility of eight accidental nodes along the larger pocket. The resulting state is consistent with the experiments on KFe2 As2 .

  17. Electric quadrupole moments and strong interaction effects in pionic atoms of 165Ho, 175Lu, 176Lu, 179Hf and 181Ta

    International Nuclear Information System (INIS)

    Olaniyi, B.; Shor, A.; Cheng, S.C.; Dugan, G.; Wu, C.S.

    1981-05-01

    The effective quadrupole moments Q sub(eff) of the nuclei of 165 Ho, 175 Lu, 176 Lu, 179 Hf and 181 Ta were accurately measured by detecting the pionic atom 5g-4f x-rays of the elements. The spectroscopic quadrupole moments, Q sub(spec), were obtained by correcting Q sub(eff) for nuclear finite size effect, distortion of the pion wave function by the pion-nucleus strong interaction, and contribution to the energy level splittings by the strong interaction. The intrinsic quadrupole moments, Q 0 , were obtained by projecting Q sub(spec) into the frame of reference fixed on the nucleus. The shift, epsilon 0 , and broadening, GAMMA 0 , of the 4f energy level due to the strong interactions between the pion and the nucleons for all the elements were also measured. Theoretical values of epsilon 0 and GAMMA 0 were calculated and compared to the experimental values. The measured values of Q 0 were compared with the existing results in muonic and pionic atoms. The measured values of epsilon 0 and GAMMA 0 were also compared with existing values. (auth)

  18. Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the “Hydrophobic Wall” of Carbonic Anhydrase

    Energy Technology Data Exchange (ETDEWEB)

    J Mecinovic; P Snyder; K Mirica; S Bai; E Mack; R Kwant; D Moustakas; A Heroux; G Whitesides

    2011-12-31

    entropic contributions to the hydrophobic effect in this representative system of protein and ligand: hydrophobic interactions, here, seem to comprise approximately equal contributions from enthalpy (plausibly from strengthening networks of hydrogen bonds among molecules of water) and entropy (from release of water from configurationally restricted positions).

  19. Disentangling weak and strong interactions in B → K*(→ Kπ)π Dalitz-plot analyses

    Energy Technology Data Exchange (ETDEWEB)

    Charles, Jerome [CNRS, Aix-Marseille Univ., Universite de Toulon, CPT UMR 7332, Marseille (France); Descotes-Genon, Sebastien [CNRS, Univ. Paris-Sud, Universite Paris-Saclay, Laboratoire de Physique Theorique (UMR 8627), Orsay (France); Ocariz, Jose [Sorbonne Universites, UPMC Univ. Paris 06, UMR 7585, LPNHE, Paris (France); Universite Paris Diderot, LPNHE UMR 7585, Sorbonne Paris Cite, Paris (France); Perez Perez, Alejandro [Universite de Strasbourg, CNRS, IPHC UMR 7178, Strasbourg (France); Collaboration: For the CKMfitter Group

    2017-08-15

    Dalitz-plot analyses of B → Kππ 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. (orig.)

  20. Theoretical analysis of adsorption thermodynamics for hydrophobic peptide residues on SAM surfaces of varying functionality.

    Science.gov (United States)

    Latour, Robert A; Rini, Christopher J

    2002-06-15

    At a fundamental level, protein adsorption to a synthetic surface must be strongly influenced by the interaction between the peptide residues presented by the protein's surface (primary protein structure) and the functional groups presented by the synthetic surface. In this study, semi-empirical molecular modeling was used along with experimental wetting data to theoretically approach protein adsorption at this primary structural level. Changes in enthalpy, entropy, and Gibbs free energy were calculated as a function of residue-surface separation distance for the adsorption of individual hydrophobic peptide residues (valine, leucine, phenylalanine) on alkanethiol self-assembled monolayers on gold [Au-S(CH(2))(15)-X; X = CH(3), OH, NH(3)(+), COO(-)]. The results predict that the adsorption of each type of hydrophobic residue is energetically favorable and entropy dominated on a methyl-terminated hydrophobic surface, energetically unfavorable and enthalpy dominated on a hydroxyl-terminated neutral hydrophilic surface, and very slightly favorable to unfavorable and enthalpy dominated on charged surfaces. These theoretical results provide a basis for understanding some of the fundamental effects governing protein adsorption to synthetic surfaces. This level of understanding is needed for the proactive design of surfaces to control protein adsorption and subsequent cellular response for both implant and tissue engineering applications. Copyright 2002 Wiley Periodicals, Inc. J Biomed Mater Res 60: 564-577, 2002

  1. Ions-induced nanostructuration: effect of specific ionic adsorption on hydrophobic polymer surfaces.

    Science.gov (United States)

    Siretanu, Igor; Chapel, Jean-Paul; Bastos-González, Delfi; Drummond, Carlos

    2013-06-06

    The effect of surface charges on the ionic distribution in close proximity to an interface has been extensively studied. On the contrary, the influence of ions (from dissolved salts) on deformable interfaces has been barely investigated. Ions can adsorb from aqueous solutions on hydrophobic surfaces, generating forces that can induce long-lasting deformation of glassy polymer films, a process called ion-induced polymer nanostructuration, IPN. We have found that this process is ion-specific; larger surface modifications are observed in the presence of water ions and hydrophobic and amphiphilic ions. Surface structuration is also observed in the presence of certain salts of lithium. We have used streaming potential and atomic force microscopy to study the effect of dissolved ions on the surface properties of polystyrene films, finding a good correlation between ionic adsorption and IPN. Our results also suggest that the presence of strongly hydrated lithium promotes the interaction of anions with polystyrene surfaces and more generally with hydrophobic polymer surfaces, triggering then the IPN process.

  2. Strong- and Weak-Universal Critical Behaviour of a Mixed-Spin Ising Model with Triplet Interactions on the Union Jack (Centered Square) Lattice

    Science.gov (United States)

    Strečka, Jozef

    2018-01-01

    The mixed spin-1/2 and spin-S Ising model on the Union Jack (centered square) lattice with four different three-spin (triplet) interactions and the uniaxial single-ion anisotropy is exactly solved by establishing a rigorous mapping equivalence with the corresponding zero-field (symmetric) eight-vertex model on a dual square lattice. A rigorous proof of the aforementioned exact mapping equivalence is provided by two independent approaches exploiting either a graph-theoretical or spin representation of the zero-field eight-vertex model. An influence of the interaction anisotropy as well as the uniaxial single-ion anisotropy on phase transitions and critical phenomena is examined in particular. It is shown that the considered model exhibits a strong-universal critical behaviour with constant critical exponents when considering the isotropic model with four equal triplet interactions or the anisotropic model with one triplet interaction differing from the other three. The anisotropic models with two different triplet interactions, which are pairwise equal to each other, contrarily exhibit a weak-universal critical behaviour with critical exponents continuously varying with a relative strength of the triplet interactions as well as the uniaxial single-ion anisotropy. It is evidenced that the variations of critical exponents of the mixed-spin Ising models with the integer-valued spins S differ basically from their counterparts with the half-odd-integer spins S.

  3. SN 2011A: A Low-luminosity Interacting Transient with a Double Plateau and Strong Sodium Absorption

    Science.gov (United States)

    de Jaeger, T.; Anderson, J. P.; Pignata, G.; Hamuy, M.; Kankare, E.; Stritzinger, M. D.; Benetti, S.; Bufano, F.; Elias-Rosa, N.; Folatelli, G.; Förster, F.; González-Gaitán, S.; Gutiérrez, C. P.; Inserra, C.; Kotak, R.; Lira, P.; Morrell, N.; Taddia, F.; Tomasella, L.

    2015-07-01

    We present optical photometry and spectroscopy of the optical transient SN 2011A. Our data span 140 days after discovery including {BVRI} u\\prime g\\prime r\\prime i\\prime z\\prime photometry and 11 epochs of optical spectroscopy. Originally classified as a type IIn supernova (SN IIn) due to the presence of narrow Hα emission, this object shows exceptional characteristics. First, the light curve shows a double plateau, a property only observed before in the impostor SN 1997bs. Second, SN 2011A has a very low luminosity ({M}V=-15.72), placing it between normal luminous SNe IIn and SN impostors. Third, SN 2011A shows low velocity and high equivalent width absorption close to the sodium doublet, which increases with time and is most likely of circumstellar origin. This evolution is also accompanied by a change in line profile; when the absorption becomes stronger, a P Cygni profile appears. We discuss SN 2011A in the context of interacting SNe IIn and SN impostors, which appears to confirm the uniqueness of this transient. While we favor an impostor origin for SN 2011A, we highlight the difficulty in differentiating between terminal and non-terminal interacting transients. This paper includes data obtained with the 6.5 m Magellan Telescopes and du Pont telescope; the Gemini-North Telescope, Mauna Kea, USA (Gemini Program GN-2010B-Q67, PI: Stritzinger); the PROMPT telescopes at Cerro Tololo Inter-American Observatory in Chile; with the Liverpool Telescope operated on the island of La Palma by Liverpool John Moores University in the Spanish Observatorio del Roque de los Muchachos of the Instituto de Astrofisica de Canarias with financial support from the UK Science and Technology Facilities Council; based on observations made with the Nordic Optical Telescope, operated by the Nordic Optical Telescope Scientific Association at the Observatorio del Roque de los Muchachos, La Palma, Spain, of the Instituto de Astrofisica de Canarias; the NTT from ESO Science Archive

  4. Time- and frequency-resolved detection of atomic coherence in the regime of strong-field interaction with intense femtosecond laser pulses

    International Nuclear Information System (INIS)

    Konorov, S. O.; Hepburn, J. W.; Milner, V.

    2011-01-01

    Understanding the effect of strong laser pulses on the evolution of an atomic or molecular wave function is important in the context of coherent control in the strong-field regime, when power broadening and dynamic Stark shifts become comparable with or bigger than the bandwidth of the control field. We experimentally demonstrate the method of complete characterization of a complex-valued amplitude of a quantum state driven by a strong two-photon field. The method is based on coherent scattering of a weak probe pulse from the strong-field-induced atomic coherence, followed by the detection of the time- and frequency-resolved parametric four-wave-mixing signal. We show that the proposed technique corresponds to a cross-correlation frequency-resolved optical gating (XFROG) of the highly perturbed evolution of an atomic quantum state. Utilizing the XFROG retrieval algorithm, we determine both the amplitude and phase of an atomic wave function at any time moment throughout the interaction with the driving field. The direct retrieval of the time-dependent phase of the wave function, rather than the population dynamics only, enables us to observe the strong-field effects with arbitrary time and frequency resolution.

  5. Onset of deconfinement and search for the critical point of strongly interacting matter at CERN SPS energies

    CERN Document Server

    Rybczynski, Maciej; Baatar, B.; Barna, D.; Bartke, J.; Beck, H.; Betev, L.; Bialkowska, H.; Blume, C.; Bogusz, M.; Boimska, B.; Book, J.; Botje, M.; Buncic, P.; Cetner, T.; Christakoglou, P.; Chung, P.; Chvala, O.; Cramer, J.G.; Eckardt, V.; Fodor, Z.; Foka, P.; Friese, V.; Gazdzicki, M.; Grebieszkow, K.; Hohne, C.; Kadija, K.; Karev, A.; Kolesnikov, V.I.; Kowalski, M.; Kresan, D.; Laszlo, A.; Lacey, R.; van Leeuwen, M.; Mackowiak-Pawlowska, M.; Makariev, M.; Malakhov, A.I.; Mateev, M.; Melkumov, G.L.; Mitrovski, M.; Mrowczynski, St.; Nicolic, V.; Palla, G.; Panagiotou, A.D.; Peryt, W.; Pluta, J.; Prindle, D.; Puhlhofer, F.; Renfordt, R.; Roland, C.; Roland, G.; Rybczynski, M.; Rybicki, A.; Sandoval, A.; Schmitz, N.; Schuster, T.; Seyboth, P.; Sikler, F.; Skrzypczak, E.; Slodkowski, M.; Stefanek, G.; Stock, R.; Strobele, H.; Susa, T.; Szuba, M.; Utvic, M.; Varga, D.; Vassiliou, M.; Veres, G.I.; Vesztergombi, G.; Vranic, D.; Wlodarczyk, Z.; Wojtaszek-Szwarc, A.

    2013-01-01

    The exploration of the QCD phase diagram particularly the search for a phase transition from hadronic to partonic degrees of freedom and possibly a critical endpoint, is one of the most challenging tasks in present heavy-ion physics. As observed by the NA49 experiment, several hadronic observables in central Pb+Pb collisions at the CERN SPS show qualitative changes in their energy dependence. These features are not observed in elementary interactions and indicate the onset of a phase transition in the SPS energy range. The existence of a critical point is expected to result in the increase of event-by-event fluctuations of various hadronic observables provided that the freeze-out of the measured hadrons occurs close to its location in the phase diagram and the evolution of the final hadron phase does not erase the fluctuations signals. A selection of NA49 results on di-pion and proton intermittency from the scan of the phase diagram will be discussed.

  6. Onset of deconfinement and search for the critical point of strongly interacting matter at CERN SPS energies

    CERN Document Server

    Rybczyński, Maciej

    2014-01-01

    The exploration of the QCD phase diagram particularly the search for a phase transition from hadronic to partonic degrees of freedom and possibly a critical endpoint, is one of the most challenging tasks in present heavy-ion physics. As observed by the NA49 experiment, several hadronic observables in central Pb+Pb collisions at the CERN SPS show qualitative changes in their energy dependence. These features are not observed in elementary interactions and indi- cate the onset of a phase transition in the SPS energy range. The existence of a critical point is expected to result in the increase of event-by-event fluctuations of various hadronic observables provided that the freeze-out of the measured hadrons occurs close to its location in the phase di- agram and the evolution of the final hadron phase does not erase the fluctuations signals. Further information about the existence and nature of a phase transition in the SPS energy range can be gained from the studies of event-by-event fluctuations of final stat...

  7. Unitary Dynamics of Strongly Interacting Bose Gases with the Time-Dependent Variational Monte Carlo Method in Continuous Space

    Science.gov (United States)

    Carleo, Giuseppe; Cevolani, Lorenzo; Sanchez-Palencia, Laurent; Holzmann, Markus

    2017-07-01

    We introduce the time-dependent variational Monte Carlo method for continuous-space Bose gases. Our approach is based on the systematic expansion of the many-body wave function in terms of multibody correlations and is essentially exact up to adaptive truncation. The method is benchmarked by comparison to an exact Bethe ansatz or existing numerical results for the integrable Lieb-Liniger model. We first show that the many-body wave function achieves high precision for ground-state properties, including energy and first-order as well as second-order correlation functions. Then, we study the out-of-equilibrium, unitary dynamics induced by a quantum quench in the interaction strength. Our time-dependent variational Monte Carlo results are benchmarked by comparison to exact Bethe ansatz results available for a small number of particles, and are also compared to quench action results available for noninteracting initial states. Moreover, our approach allows us to study large particle numbers and general quench protocols, previously inaccessible beyond the mean-field level. Our results suggest that it is possible to find correlated initial states for which the long-term dynamics of local density fluctuations is close to the predictions of a simple Boltzmann ensemble.

  8. Strong electromagnetic pulses generated in high-intensity short-pulse laser interactions with thin foil targets

    Science.gov (United States)

    Rączka, P.; Dubois, J.-L.; Hulin, S.; Tikhonchuk, V.; Rosiński, M.; Zaraś-Szydłowska, A.; Badziak, J.

    2017-12-01

    Measurements are reported of the target neutralization current, the target charge, and the tangential component of the magnetic field generated as a result of laser-target interaction by pulses with the energy in the range of 45 mJ to 92 mJ on target and the pulse duration from 39 fs to 1000 fs. The experiment was performed at the Eclipse facility in CELIA, Bordeaux. The aim of the experiment was to extend investigations performed for the thick (mm scale) targets to the case of thin (micrometer thickness) targets in a way that would allow for a straightforward comparison of the results. We found that thin foil targets tend to generate 20 to 50 percent higher neutralization current and the target charge than the thick targets. The measurement of the tangential component of the magnetic field had shown that the initial spike is dominated by the 1 ns pulse consistent with the 1 ns pulse of the neutralization current, but there are some differences between targets of different type on sub-ns scale, which is an effect going beyond a simple picture of the target acting as an antenna. The sub-ns structure appears to be reproducible to surprising degree. We found that there is in general a linear correlation between the maximum value of the magnetic field and the maximum neutralization current, which supports the target-antenna picture, except for pulses hundreds of fs long.

  9. Electron gas interacting in a metal, submitted to a strong magnetic field; Gas de eletrons interagentes num metal, sujeito a um campo magnetico forte

    Energy Technology Data Exchange (ETDEWEB)

    Alcaraz, Francisco Castilho

    1977-07-01

    Using the propagator's technique in the grand ensemble developed by Montroll and Ward we investigate the magnetic properties of an interacting electron gas in a strong magnetic field. The free propagator properly constructed shows that the spin paramagnetism does not have a term with strong temperature dependence, contrary to the result of Isihara. Considering the electron density to be constant, the dHVA oscillations in the magnetic susceptibility and sound velocity, considering the effects of first exchange interactions, show only one phase in agreement with experimental result, while Ichimura and Isihara obtained two phases differing by {pi}/2. The effects of first order exchange interactions in the dHVA oscillations of the magnetic susceptibility and sound velocity give rise to an exponential factor in the amplitudes of oscillator (Dingle factor), being the Dingle temperature linearly dependent of the Fermi velocity. The calculations of the ring diagram contribution to the grand partition function, show that the approximation used by Isihara for this calculations is not good and the dHVA oscillations of the contributions from the ring diagrams for the grand partition function have a phase differing by {pi}/2 from that obtained by Isihara. (author)

  10. Bending nanofibers into nanospirals: coordination chemistry as a tool for shaping hydrophobic assemblies.

    Science.gov (United States)

    Kossoy, Elizaveta; Weissman, Haim; Rybtchinski, Boris

    2015-01-02

    In the current work, we demonstrate how coordination chemistry can be employed to direct self-assembly based on strong hydrophobic interactions. To investigate the influence of coordination sphere geometry on aqueous self-assembly, we synthesized complexes of the amphiphilic perylene diimide terpyridine ligand with the first-row transition-metal centers (zinc, cobalt, and nickel). In aqueous medium, aggregation of these complexes is induced by hydrophobic interactions between the ligands. However, the final shapes of the resulting assemblies depend on the preferred geometry of the coordination spheres typical for the particular metal center. The self-assembly process was characterized by UV/Vis spectroscopy, zeta potential measurements, and cryogenic transmission electron microscopy (cryo-TEM). Coordination of zinc(II) and cobalt(II) leads to the formation of unique nanospiral assemblies, whereas complexation of nickel(II) leads to the formation of straight nanofibers. Notably, coordination bonds are utilized not as connectors between elementary building blocks, but as directing interactions, enabling control over supramolecular geometry. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. Correlation of charge, hydrophobicity, and structure with antimicrobial activity of S1 and MIRIAM peptides.

    Science.gov (United States)

    Leptihn, Sebastian; Har, Jia Yi; Wohland, Thorsten; Ding, Jeak Ling

    2010-11-02

    Antimicrobial peptides are key elements of the innate immune system. Many of them interact with membranes of bacteria leading to perturbation of the lipid bilayer and eventually to inactivation of the pathogen. The emergence of multidrug-resistant bacteria has necessitated innovations of new and more powerful classes of antimicrobials. Here we present the in-depth study of an antimicrobial peptide, MIRIAM, derived from Sushi1 (S1), a well-characterized peptide from the horseshoe crab. MIRIAM interacts strongly with negatively charged lipids, forming an α-helical structure. MIRIAM was found to neutralize LPS and kill Gram-negative bacteria with high efficiency, while not releasing LPS. The promising therapeutic potential of MIRIAM is shown by hemolytic assays, which demonstrate that eukaryotic membranes are unaffected at bactericidal concentrations. Nanoparticle-conjugated MIRIAM used in single-molecule fluorescence and electron microscopy experiments showed that MIRIAM targets bacterial membranes to kill bacteria similarly to parental S1. Furthermore, fragments derived from MIRIAM and S1 provided insights on their molecular mechanisms of action, in particular, the relationships of functional motifs comprised by charge, hydrophobicity, and structure within each peptide. We conclude that the combination of charge, hydrophobicity, and length of the peptide is important. A close interaction of amino acids in a single molecule in a carefully balanced ensemble of sequence position and secondary structure is crucial.

  12. $K^{0} \\leftrightharpoons \\overline{K}^0$ transitions monitored by strong interactions a new determination of the $K_{L} - K_{S}$ mass difference

    CERN Document Server

    Angelopoulos, Angelos; Backenstoss, Gerhard; Bargassa, P; Behnke, O; Benelli, A; Bertin, V; Blanc, F; Bloch, P; Carlson, P J; Carroll, M; Cawley, E; Chertok, M B; Danielsson, M; Dejardin, M; Derré, J; Ealet, A; Eleftheriadis, C; Fetscher, W; Fidecaro, Maria; Filipcic, A; Francis, D; Fry, J; Gabathuler, Erwin; Gamet, R; Gerber, H J; Go, A; Haselden, A; Haymen, P J; Henry-Coüannier, F; Hollander, R W; Jon-And, K; Kettle, P R; Kokkas, P; Kreuger, R; Le Gac, R; Leimgruber, F; Mandic, I; Manthos, N; Marel, Gérard; Mikuz, M; Miller, J; Montanet, François; Müller, A; Nakada, Tatsuya; Pagels, B; Papadopoulos, I M; Pavlopoulos, P; Polivka, G; Rickenbach, R; Roberts, B L; Ruf, T; Sakelliou, L; Schäfer, M; Schaller, L A; Schietinger, T; Schopper, A; Tauscher, Ludwig; Thibault, C; Touchard, F; Touramanis, C; van Eijk, C W E; Vlachos, S; Weber, P; Wigger, O; Wolter, M; Zavrtanik, D; Zimmerman, D

    2001-01-01

    The CPLEAR set-up (modified) has been used to determine the K/sub L/- K/sub S/ mass difference by a method where neutral-kaon strangeness oscillations are monitored through kaon strong interactions, rather than semileptonic decays, thus requiring no assumptions on CPT invariance for the decay amplitudes. The result, Delta m= (0.5343+or-0.0063/sub stat/+or-0.0025/sub syst/)*10/sup 10/ h(cross) /s, provides a valuable input for CPT tests. (22 refs).

  13. The Organic Secondary Building Unit: Strong Intermolecular π Interactions Define Topology in MIT-25, a Mesoporous MOF with Proton-Replete Channels.

    Science.gov (United States)

    Park, Sarah S; Hendon, Christopher H; Fielding, Alistair J; Walsh, Aron; O'Keeffe, Michael; Dincă, Mircea

    2017-03-15

    The structure-directing role of the inorganic secondary building unit (SBU) is key for determining the topology of metal-organic frameworks (MOFs). Here we show that organic building units relying on strong π interactions that are energetically competitive with the formation of common inorganic SBUs can also play a role in defining the topology. We demonstrate the importance of the organic SBU in the formation of Mg 2 H 6 (H 3 O)(TTFTB) 3 (MIT-25), a mesoporous MOF with the new ssp topology. A delocalized electronic hole is critical in the stabilization of the TTF triad organic SBUs and exemplifies a design principle for future MOF synthesis.

  14. Temperature effects on the hydrophobic force between two ...

    Indian Academy of Sciences (India)

    TUHIN SAMANTA

    2018-03-02

    Mar 2, 2018 ... Abstract. Water-mediated, effective, long-range interaction between two hydrophobic surfaces immersed in water is of great importance in natural phenomena. We perform the molecular dynamics simulations to investigate the effect of temperature on the attractive force between two graphene-like ...

  15. Are N-methyl groups of Tetramethylurea (TMU) Hydrophobic? A ...

    Indian Academy of Sciences (India)

    In addition, red edge excitation effects have been observed at very dilute TMU concentration suggesting distribution of C153 among heterogeneous envi- ronments. All these results indicate hydrophobic interaction-induced aggregation of TMU in dilute aqueous solutions which corroborate well with the existing simulation ...

  16. LINE SHAPES OF DOPPLER-FREE RESONANCE IN SRFM: STRONG ATOM-WALL INTERACTION AND PRESSURE EFFECT ON THE FREQUENCY SHIFT OF AN ALKALI VAPOR

    Directory of Open Access Journals (Sweden)

    B BOUHAFS

    2003-12-01

    Full Text Available The attractive potential energy between the atoms of rubidium vapor and a dielectric wall has been investigated by monitoring the reflection light at the interface. The atom- wall interaction potential of the form V(z = - C /z3 (z: atom-wall allows to predict experimental results only for weak regime, i.e., where C<< 0.2 kHzmm3. In the strong interaction case, the dispersive line shape is turned into an absorption-type line shape. The influence of atomic density on the shift of  the selective reflection resonance  relatively to the frequency of unperturbed atomic transition is found to be red with a negative slope. This technique opens the way to characterize the windows made of different materials thin films.

  17. Extreme enhancement of blocking temperature by strong magnetic dipoles interaction of α-Fe nanoparticle-based high-density agglomerate

    International Nuclear Information System (INIS)

    Kura, H; Takahashi, M; Ogawa, T

    2011-01-01

    High-volume fraction α-Fe nanoparticle (NP) agglomerates were prepared using chemically synthesized NPs. In the agglomerate, NPs are separated by surfactant and NP superlattice with a hexagonal close-packed structure is locally realized. Volume fractions of NPs at 20% and 42% were obtained in agglomerates consisting of 2.9 nm and 8.2 nm diameter NPs, respectively. The high saturation magnetization of α-Fe NPs and high volume fraction of NPs in the agglomerate provide strong magnetic dipole-dipole interaction. The interaction energy of the agglomerate became much larger than the anisotropic energy of individual NPs. As a result, the blocking temperature of the 8.2 nm NP agglomerate was significantly enhanced from 52.2 K to around 500 K. (fast track communication)

  18. Hydrophobic determinants of α-defensin bactericidal activity.

    Science.gov (United States)

    Tai, Kenneth P; Le, Valerie V; Selsted, Michael E; Ouellette, André J

    2014-06-01

    Mammalian α-defensins are approximately 4- to 5-kDa broad-spectrum antimicrobial peptides and abundant granule constituents of neutrophils and small intestinal Paneth cells. The bactericidal activities of amphipathic α-defensins depend in part on electropositive charge and on hydrophobic amino acids that enable membrane disruption by interactions with phospholipid acyl chains. Alignment of α-defensin primary structures identified conserved hydrophobic residues in the loop formed by the Cys(III)-Cys(V) disulfide bond, and we have studied their role by testing the effects of mutagenesis on bactericidal activities. Mouse α-defensin 4 (Crp-4) and rhesus myeloid α-defensin 4 (RMAD-4) were selected for these studies, because they are highly bactericidal in vitro and have the same overall electropositive charge. Elimination of hydrophobicity by site-directed mutagenesis at those positions in Crp-4 attenuated bactericidal activity markedly. In contrast to native Crp-4, the (I23/F25/L26/G)-Crp-4 variant lacked bactericidal activity against Salmonella enterica serovar Typhimurium and did not permeabilize Escherichia coli ML35 cells as a result of removing aliphatic side chains by Gly substitutions. Ala replacements in (I23/F25/L26/A)-Crp-4 restored activity, evidence that hydrophobicity contributed by Ala methyl R-groups was sufficient for activity. In macaques, neutrophil α-defensin RMAD-6 is identical to RMAD-4, except for a F28S difference, and (F28S)-RMAD-4 mutagenesis attenuated RMAD-4 bactericidal activity and E. coli permeabilization. Interestingly, (R31/32D)-Crp-4 lacks activity in these assays despite the presence of the Ile23, Phe25, and Leu26 hydrophobic patch. We infer that electrostatic interactions between cationic α-defensin residues and negative charge on bacteria precede interactions between critical hydrophobic residue positions that mediate membrane disruption and bacterial cell killing.

  19. Structure of Hydrophobically Modified Phytoglycogen Nanoparticles

    Science.gov (United States)

    Atkinson, John; Nickels, Jonathan; Dutcher, John; Katsaras, John

    Phytoglycogen is a highly branched, polysaccharide nanoparticle produced by some varieties of plants including sweet corn. These particles are attractive candidates for cosmetic, industrial and biomedical applications. Many of these applications result from phytoglycogen's unique interaction with water: (1) high solubility; (2) low viscosity and high stability in aqueous dispersions; and (3) a remarkable capacity to sequester and retain water. Neutron scattering measurements of native phytoglycogen revealed that the particles have uniform size, uniform radial particle density, and a high level of hydration. Hydrophobically modifying the outer surface of the hydrophilic nanoparticles opens up new applications in food and biomedicine, such as solubilizing and stabilizing bioactive compounds. One such modification is octenyl succinate anhydride (OSA), where the hydrophobicity can be tuned by adjusting the degree of substitution. I will present the results of small angle neutron scattering (SANS) measurements of aqueous dispersions of OSA-modified phytoglycogen with two different degrees of modification. Contrast series SANS measurements have yielded information about the radial density profile, providing insight into the nature of the chemical modification of the particles.

  20. Hydrophobic Calcium Carbonate for Cement Surface

    Directory of Open Access Journals (Sweden)

    Shashi B. Atla

    2017-12-01

    Full Text Available This report describes a novel way to generate a highly effective hydrophobic cement surface via a carbonation route using sodium stearate. Carbonation reaction was carried out at different temperatures to investigate the hydrophobicity and morphology of the calcium carbonate formed with this process. With increasing temperatures, the particles changed from irregular shapes to more uniform rod-like structures and then aggregated to form a plate-like formation. The contact angle against water was found to increase with increasing temperature; after 90 °C there was no further increase. The maximum contact angle of 129° was obtained at the temperature of 60 °C. It was also found that carbonation increased the micro hardness of the cement material. The micro hardness was found to be dependent on the morphology of the CaCO3 particles. The rod like structures which caused increased mineral filler produced a material with enhanced strength. The 13C cross polarization magic-angle spinning NMR spectra gave plausible explanation of the interaction of organic-inorganic moieties.

  1. 21 CFR 584.700 - Hydrophobic silicas.

    Science.gov (United States)

    2010-04-01

    ...) Product. Amorphous fumed hydrophobic silica or precipitated hydrophobic silica (CAS Reg. No. 68611-0944... 21 Food and Drugs 6 2010-04-01 2010-04-01 false Hydrophobic silicas. 584.700 Section 584.700 Food... DRUGS, FEEDS, AND RELATED PRODUCTS FOOD SUBSTANCES AFFIRMED AS GENERALLY RECOGNIZED AS SAFE IN FEED AND...

  2. Strongly interacting matter under rotation

    Science.gov (United States)

    Jiang, Yin; Lin, Zi-Wei; Huang, Xu-Guang; Liao, Jinfeng

    2018-02-01

    The vorticity-driven effects are systematically studied in various aspects. With AMPT the distributions of vorticity has been investigated in heavy ion collisions with different collision parameters. Taking the rotational polarization effect into account a generic condensate suppression mechanism is discussed and quantitatively studied with NJL model. And in chiral restored phase the chiral vortical effects would generate a new collective mode, i.e. the chiral vortical wave. Using the rotating quark-gluon plasma in heavy ion collisions as a concrete example, we show the formation of induced flavor quadrupole in QGP and estimate the elliptic flow splitting effect for Λ baryons.

  3. Strongly interacting matter under rotation

    Directory of Open Access Journals (Sweden)

    Jiang Yin

    2018-01-01

    Full Text Available The vorticity-driven effects are systematically studied in various aspects. With AMPT the distributions of vorticity has been investigated in heavy ion collisions with different collision parameters. Taking the rotational polarization effect into account a generic condensate suppression mechanism is discussed and quantitatively studied with NJL model. And in chiral restored phase the chiral vortical effects would generate a new collective mode, i.e. the chiral vortical wave. Using the rotating quark-gluon plasma in heavy ion collisions as a concrete example, we show the formation of induced flavor quadrupole in QGP and estimate the elliptic flow splitting effect for Λ baryons.

  4. Strong interaction at finite temperature

    Indian Academy of Sciences (India)

    Saha Institute of Nuclear Physics, 1/AF, Bidhan Nagar, Kolkata 700 064, India. Abstract. We review two ... tem, from which its energy density, pressure etc. can be obtained. But to describe the heavy-ion ... quantity follows the same steps as for its vacuum counterpart, with the replacement of free vacuum propagators by free ...

  5. Strong interaction at finite temperature

    Indian Academy of Sciences (India)

    The first one is the general method of chiral perturbation theory, which may be readily applied to this problem. The other is the method of thermal QCD sum rules. We show that, when the spectral sides of the sum rules are calculated correctly, they do not lead to any new results, but reproduce those of the vacuum sum rules.

  6. Improved gel electrophoresis matrix for hydrophobic protein separation and identification.

    Science.gov (United States)

    Tokarski, Caroline; Fillet, Marianne; Rolando, Christian

    2011-03-01

    We propose an improved acrylamide gel for the separation of hydrophobic proteins. The separation strategy is based on the incorporation of N-alkylated and N,N'-dialkylated acrylamide monomers in the gel composition in order to increase hydrophobic interactions between the gel matrix and the membrane proteins. Focusing on the most efficient monomer, N,N'-dimethylacrylamide, the potentiality of the new matrix was evaluated on membrane proteins of the human colon HCT-116 cell line. Protein analysis was performed using an adapted analytical strategy based on FT-ICR tandem mass spectrometry. As a result of this comparative study, including advanced reproducibility experiments, more hydrophobic proteins were identified in the new gel (average GRAVY: -0.085) than in the classical gel (average GRAVY: -0.411). Highly hydrophobic peptides were identified reaching a GRAVY value up to 1.450, therefore indicating their probable locations in the membrane. Focusing on predicted transmembrane domains, it can be pointed out that 27 proteins were identified in the hydrophobic gel containing up to 11 transmembrane domains; in the classical gel, only 5 proteins containing 1 transmembrane domain were successfully identified. For example, multiple ionic channels and receptors were characterized in the hydrophobic gel such as the sodium/potassium channel and the glutamate or the transferrin receptors whereas they are traditionally detected using specific enrichment techniques such as immunoprecipitation. In total, membrane proteins identified in the classical gel are well documented in the literature, while most of the membrane proteins only identified on the hydrophobic gel have rarely or never been described using a proteomic-based approach. 2010 Elsevier Inc. All rights reserved.

  7. Rheological Properties in Aqueous Solution for Hydrophobically Modified Polyacrylamides Prepared in Inverse Emulsion Polymerization

    Directory of Open Access Journals (Sweden)

    Shirley Carro

    2017-01-01

    Full Text Available Inverse emulsion polymerization technique was employed to synthesize hydrophobically modified polyacrylamide polymers with hydrophobe contents near to feed composition. Three different structures were obtained: multisticker, telechelic, and combined. N-Dimethyl-acrylamide (DMAM, n-dodecylacrylamide (DAM, and n-hexadecylacrylamide (HDAM were used as hydrophobic comonomers. The effect of the hydrophobe length of comonomer, the initial monomer, and surfactant concentrations on shear viscosity was studied. Results show that the molecular weight of copolymer increases with initial monomer concentration and by increasing emulsifier concentration it remained almost constant. Shear viscosity measurements results show that the length of the hydrophobic comonomer augments the hydrophobic interactions causing an increase in viscosity and that the polymer thickening ability is higher for combined polymers.

  8. Tuning the Selectivity of Catalytic Carbon Dioxide Hydrogenation over Iridium/Cerium Oxide Catalysts with a Strong Metal-Support Interaction.

    Science.gov (United States)

    Li, Siwei; Xu, Yao; Chen, Yifu; Li, Weizhen; Lin, Lili; Li, Mengzhu; Deng, Yuchen; Wang, Xiaoping; Ge, Binghui; Yang, Ce; Yao, Siyu; Xie, Jinglin; Li, Yongwang; Liu, Xi; Ma, Ding

    2017-08-28

    A one-step ligand-free method based on an adsorption-precipitation process was developed to fabricate iridium/cerium oxide (Ir/CeO 2 ) nanocatalysts. Ir species demonstrated a strong metal-support interaction (SMSI) with the CeO 2 substrate. The chemical state of Ir could be finely tuned by altering the loading of the metal. In the carbon dioxide (CO 2 ) hydrogenation reaction it was shown that the chemical state of Ir species-induced by a SMSI-has a major impact on the reaction selectivity. Direct evidence is provided indicating that a single-site catalyst is not a prerequisite for inhibition of methanation and sole production of carbon monoxide (CO) in CO 2 hydrogenation. Instead, modulation of the chemical state of metal species by a strong metal-support interaction is more important for regulation of the observed selectivity (metallic Ir particles select for methane while partially oxidized Ir species select for CO production). The study provides insight into heterogeneous catalysts at nano, sub-nano, and atomic scales. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. Phonon linewidth due to electron-phonon interactions with strong forward scattering in FeSe thin films on oxide substrates

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Yan [Univ. of Tennessee, Knoxville, TN (United States); Rademaker, Louk [Univ. of California, Santa Barbara, CA (United States); Dagotto, Elbio R. [Univ. of Tennessee, Knoxville, TN (United States); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Johnston, Steven [Univ. of Tennessee, Knoxville, TN (United States)

    2017-08-18

    Here, the discovery of an enhanced superconducting transition temperature Tc in monolayers of FeSe grown on several oxide substrates has opened a new route to high-Tc superconductivity through interface engineering. One proposal for the origin of the observed enhancement is an electronphonon (e-ph) interaction across the interface that peaked at small momentum transfers. In this paper, we examine the implications of such a coupling on the phononic properties of the system. We show that a strong forward scattering leads to a sizable broadening of phonon lineshape, which may result in charge instabilities at long-wavelengths. However, we further find that the inclusion of Coulombic screening significantly reduces the phonon broadening. Our results show that one might not expect anomalously broad phonon linewidths in the FeSe interface systems, despite the fact that the e-ph interaction has a strong peak in the forward scattering (small \\bfq ) direction.

  10. Hydrophobic environment is a key factor for the stability of thermophilic proteins.

    Science.gov (United States)

    Gromiha, M Michael; Pathak, Manish C; Saraboji, Kadhirvel; Ortlund, Eric A; Gaucher, Eric A

    2013-04-01

    The stability of thermophilic proteins has been viewed from different perspectives and there is yet no unified principle to understand this stability. It would be valuable to reveal the most important interactions for designing thermostable proteins for such applications as industrial protein engineering. In this work, we have systematically analyzed the importance of various interactions by computing different parameters such as surrounding hydrophobicity, inter-residue interactions, ion-pairs and hydrogen bonds. The importance of each interaction has been determined by its predicted relative contribution in thermophiles versus the same contribution in mesophilic homologues based on a dataset of 373 protein families. We predict that hydrophobic environment is the major factor for the stability of thermophilic proteins and found that 80% of thermophilic proteins analyzed showed higher hydrophobicity than their mesophilic counterparts. Ion pairs, hydrogen bonds, and interaction energy are also important and favored in 68%, 50%, and 62% of thermophilic proteins, respectively. Interestingly, thermophilic proteins with decreased hydrophobic environments display a greater number of hydrogen bonds and/or ion pairs. The systematic elimination of mesophilic proteins based on surrounding hydrophobicity, interaction energy, and ion pairs/hydrogen bonds, led to correctly identifying 95% of the thermophilic proteins in our analyses. Our analysis was also applied to another, more refined set of 102 thermophilic-mesophilic pairs, which again identified hydrophobicity as a dominant property in 71% of the thermophilic proteins. Further, the notion of surrounding hydrophobicity, which characterizes the hydrophobic behavior of residues in a protein environment, has been applied to the three-dimensional structures of elongation factor-Tu proteins and we found that the thermophilic proteins are enriched with a hydrophobic environment. The results obtained in this work highlight the

  11. Functional bacterial amyloid increases Pseudomonas biofilm hydrophobicity and stiffness

    DEFF Research Database (Denmark)

    Zeng, Guanghong; Vad, Brian S; Dueholm, Morten S

    2015-01-01

    The success of Pseudomonas species as opportunistic pathogens derives in great part from their ability to form stable biofilms that offer protection against chemical and mechanical attack. The extracellular matrix of biofilms contains numerous biomolecules, and it has recently been discovered...... that in Pseudomonas one of the components includes β-sheet rich amyloid fibrils (functional amyloid) produced by the fap operon. However, the role of the functional amyloid within the biofilm has not yet been investigated in detail. Here we investigate how the fap-based amyloid produced by Pseudomonas affects biofilm...... hydrophobicity and mechanical properties. Using atomic force microscopy imaging and force spectroscopy, we show that the amyloid renders individual cells more resistant to drying and alters their interactions with hydrophobic probes. Importantly, amyloid makes Pseudomonas more hydrophobic and increases biofilm...

  12. Hydrophobic attraction as revealed by AFM force measurements and molecular dynamics simulation.

    Science.gov (United States)

    Fa, Keqing; Nguyen, Anh V; Miller, Jan D

    2005-07-14

    Spherical calcium dioleate particles ( approximately 10 mum in diameter) were used as AFM (atomic force microscope) probes to measure interaction forces of the collector colloid with calcite and fluorite surfaces. The attractive AFM force between the calcium dioleate sphere and the fluorite surface is strong and has a longer range than the DLVO (Derjaguin-Landau-Verwey-Overbeek) prediction. The AFM force between the calcium dioleate sphere and the mineral surfaces does not agree with the DLVO prediction. Consideration of non-DLVO forces, including the attractive hydrophobic force and the repulsive hydration force, was necessary to explain the experimental results. The non-DLVO interactions considered were justified by the different interfacial water structures at calcite- and fluorite-water interfaces as revealed by the numerical computation experiments with molecular dynamics simulation.

  13. Biofilm, adherence, and hydrophobicity as virulence factors in Malassezia furfur.

    Science.gov (United States)

    Angiolella, Letizia; Leone, Claudia; Rojas, Florencia; Mussin, Javier; de Los Angeles Sosa, María; Giusiano, Gustavo

    2018-01-01

    Malassezia species are natural inhabitants of the healthy skin. However, under certain conditions, they may cause or exacerbate several skin diseases. The ability of this fungus to colonize or infect is determined by complex interactions between the fungal cell and its virulence factors. This study aims to evaluate "in vitro" the hydrophobicity levels, the adherence on a plastic surface and the biofilm formation of 16 clinical isolates of Malassezia furfur. Cellular surface hydrophobicity (CSH) levels were determined by two-phase system. The biofilm formation was determined by tetrazolium salt (XTT) reduction assay and by Scanning Electron Microscopy (SEM). Results showed many isolates were hydrophobic, adherent, and producers of biofilm on abiotic surfaces with different capacity. SEM observations confirmed an abundant extracellular matrix after 48 h of biofilm formation. About 63% of strains with high production of biofilm showed medium to high percentage of hydrophobicity and/or adherence. In addition, it has been demonstrated a correlation between hydrophobicity, adherence, and biofilm formation in about 60% of strains examined. These important virulence factors could be responsible of this yeast changing from a commensal to a pathogenic status. © The Author 2017. Published by Oxford University Press on behalf of The International Society for Human and Animal Mycology. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

  14. The intOA Experiment: A Study of Ocean-Atmosphere Interactions Under Moderate to Strong Offshore Winds and Opposing Swell Conditions in the Gulf of Tehuantepec, Mexico

    Science.gov (United States)

    Ocampo-Torres, F. J.; García-Nava, H.; Durazo, R.; Osuna, P.; Díaz Méndez, G. M.; Graber, H. C.

    2011-03-01

    The Gulf of Tehuantepec air-sea interaction experiment ( intOA) took place from February to April 2005, under the Programme for the Study of the Gulf of Tehuantepec (PEGoT, Spanish acronym for Programa para el Estudio del Golfo de Tehuantepec). PEGoT is underway aiming for better knowledge of the effect of strong and persistent offshore winds on coastal waters and their natural resources, as well as performing advanced numerical modelling of the wave and surface current fields. One of the goals of the intOA experiment is to improve our knowledge on air-sea interaction processes with particular emphasis on the effect of surface waves on the momentum flux for the characteristic and unique conditions that occur when strong Tehuano winds blow offshore against the Pacific Ocean long period swell. For the field campaign, an air-sea interaction spar (ASIS) buoy was deployed in the Gulf of Tehuantepec to measure surface waves and the momentum flux between the ocean and the atmosphere. High frequency radar systems (phase array type) were in operation from two coastal sites and three acoustic Doppler current profilers were deployed near-shore. Synthetic aperture radar images were also acquired as part of the remote sensing component of the experiment. The present paper provides the main results on the wave and wind fields, addressing the direct calculation of the momentum flux and the drag coefficient, and gives an overview of the intOA experiment. Although the effect of swell has been described in recent studies, this is the first time for the very specific conditions encountered, such as swell persistently opposing offshore winds and locally generated waves, to show a clear evidence of the influence on the wind stress of the significant steepness of swell waves.

  15. Hydrophobic-Core Microcapsules and Their Formation

    Science.gov (United States)

    Calle, Luz M. (Inventor); Li, Wenyan (Inventor); Buhrow, Jerry W. (Inventor); Jolley, Scott T. (Inventor)

    2016-01-01

    Hydrophobic-core microcapsules and methods of their formation are provided. A hydrophobic-core microcapsule may include a shell that encapsulates a hydrophobic substance with a core substance, such as dye, corrosion indicator, corrosion inhibitor, and/or healing agent, dissolved or dispersed therein. The hydrophobic-core microcapsules may be formed from an emulsion having hydrophobic-phase droplets, e.g., containing the core substance and shell-forming compound, dispersed in a hydrophilic phase. The shells of the microcapsules may be capable of being broken down in response to being contacted by an alkali, e.g., produced during corrosion, contacting the shell.

  16. Explicit and implicit modeling of nanobubbles in hydrophobic confinement

    Directory of Open Access Journals (Sweden)

    Joachim Dzubiella

    2010-03-01

    Full Text Available Water at normal conditions is a fluid thermodynamically close to the liquid-vapor phase coexistence and features a large surface tension. This combination can lead to interesting capillary phenomena on microscopic scales. Explicit water molecular dynamics (MD computer simulations of hydrophobic solutes, for instance, give evidence of capillary evaporation on nanometer scales, i.e., the formation of nanometer-sized vapor bubbles (nanobubbles between confining hydrophobic surfaces. This phenomenon has been exemplified for solutes with varying complexity, e.g., paraffin plates, coarse-grained homopolymers, biological and solid-state channels, and atomistically resolved proteins. It has been argued that nanobubbles strongly impact interactions in nanofluidic devices, translocation processes, and even in protein stability, function, and folding. As large-scale MD simulations are computationally expensive, the efficient multiscale modeling of nanobubbles and the prediction of their stability poses a formidable task to the'nanophysical' community. Recently, we have presented a conceptually novel and versatile implicit solvent model, namely, the variational implicit solvent model (VISM, which is based on a geometric energy functional. As reviewed here, first solvation studies of simple hydrophobic solutes using VISM coupled with the numerical level-set scheme show promising results, and, in particular, capture nanobubble formation and its subtle competition to local energetic potentials in hydrophobic confinement.Água em condições normais consiste de um fluido termodinamicamente próximo à fase líquida-vapor exibindo alta tensão superficial. Esta combinação conduz a fenômenos capilares interessantes na escala microscópica. Simulações computacionais baseadas em técnicas de Dinâmica Molecular em solutos hidrofóbicos por exemplo fornecem evidências do fenômeno de evaporação capilar em escalas nanométricas dando origem à formação de

  17. Hypersonic boundary layer in the vicinity of a point of inflection of leading edge on a flat wing in the regime of strong viscous interaction

    Science.gov (United States)

    Dudin, G. N.; Ledovskiy, A. V.

    2013-06-01

    The flow in a spatial hypersonic laminar boundary layer on a planar wing with a point of inflection in the leading edge is considered in the regime of strong viscous-inviscid interaction. The boundary problems are formulated for two cases: self-similar flow near the point of inflection of the leading edge and full three-dimensional (3D) boundary layer on a wing with variable sweep angle. The numerical solution is obtained using the finite-difference method. The results of parametric calculations of influence of a wing shape and the temperature factor on flow characteristics in the boundary layer are presented. The possibility of formation of local regions with high shear stress and heat flux is shown.

  18. Computation of local exchange coefficients in strongly interacting one-dimensional few-body systems: local density approximation and exact results

    DEFF Research Database (Denmark)

    Marchukov, O. V.; Eriksen, E. H.; Midtgaard, J. M.

    2016-01-01

    One-dimensional multi-component Fermi or Bose systems with strong zero-range interactions can be described in terms of local exchange coefficients and mapping the problem into a spin model is thus possible. For arbitrary external confining potentials the local exchanges are given by highly non...... to the computational complexity of the high-dimensional integrals involved. An approach using the local density approximation would therefore be a most welcome approximation due to its simplicity. Here we assess the accuracy of the local density approximation by going beyond the simple harmonic oscillator that has...... been the focus of previous studies and consider some double-wells of current experimental interest. We find that the local density approximation works quite well as long as the potentials resemble harmonic wells but break down for larger barriers. In order to explore the consequences of applying...

  19. Quantification of groundwater-stream water interactions based on temperature depth profiles under strong upwelling conditions in a sand-bed stream

    Science.gov (United States)

    Gaona, Jaime; Lewandowski, Jörg

    2017-04-01

    The quantification of groundwater-surface water interactions is not only required for budgets but also for an understanding of the complex relations between hyporheic exchange flows (HEF) and the associated chemical and biological processes that take place in hyporheic zones (HZ). Thus, there is a strong need to improve methods for flux estimation.The present study aims to quantify the vertical fluxes across the riverbed from data of temperature depth profiles recorded at the River Schlaube in East Brandenburg, Germany. In order to test the capabilities and limitations of existing methods, fluxes were calculated with an analytical (VFLUX, based on the amplitude attenuation and phase shift analysis) and a numerical (1DTempPro, parametrization based on observed values) approach for heat conduction. We conclude that the strong limitations of the flux estimates are caused by thermal and hydraulic heterogeneities of the sediment properties. Consequently, upscaling of fluxes must include other thermal techniques able to portray the spatial variability of thermal patterns, along with further developments of methods to link thermal depth profiles, thermal patterns of the surface of the streambed and all the other factors involved. Considering time and costs of temperature depth profiles of riverbeds, and the need for multiple devices to cover larger areas, it is additionally tested whether vertical fluxes can be infered from the uppermost temperature sensors of a data set. That would ease hyporheic investigations at larger scales.

  20. Decrypting Strong and Weak Single-Walled Carbon Nanotubes Interactions with Mitochondrial Voltage-Dependent Anion Channels Using Molecular Docking and Perturbation Theory.

    Science.gov (United States)

    González-Durruthy, Michael; Werhli, Adriano V; Seus, Vinicius; Machado, Karina S; Pazos, Alejandro; Munteanu, Cristian R; González-Díaz, Humberto; Monserrat, José M

    2017-10-16

    The current molecular docking study provided the Free Energy of Binding (FEB) for the interaction (nanotoxicity) between VDAC mitochondrial channels of three species (VDAC1-Mus musculus, VDAC1-Homo sapiens, VDAC2-Danio rerio) with SWCNT-H, SWCNT-OH, SWCNT-COOH carbon nanotubes. The general results showed that the FEB values were statistically more negative (p  (SWCNT-VDAC1-Mus musculus) > (SWCNT-VDAC1-Homo sapiens) > (ATP-VDAC). More negative FEB values for SWCNT-COOH and OH were found in VDAC2-Danio rerio when compared with VDAC1-Mus musculus and VDAC1-Homo sapiens (p  r 2  > 0.97) was observed between n-Hamada index and VDAC nanotoxicity (or FEB) for the zigzag topologies of SWCNT-COOH and SWCNT-OH. Predictive Nanoparticles-Quantitative-Structure Binding-Relationship models (nano-QSBR) for strong and weak SWCNT-VDAC docking interactions were performed using Perturbation Theory, regression and classification models. Thus, 405 SWCNT-VDAC interactions were predicted using a nano-PT-QSBR classifications model with high accuracy, specificity, and sensitivity (73-98%) in training and validation series, and a maximum AUROC value of 0.978. In addition, the best regression model was obtained with Random Forest (R 2 of 0.833, RMSE of 0.0844), suggesting an excellent potential to predict SWCNT-VDAC channel nanotoxicity. All study data are available at https://doi.org/10.6084/m9.figshare.4802320.v2 .

  1. Strategies To Increase the Thermal Stability of Truly Biomimetic Hydrogels: Combining Hydrophobicity and Directed Hydrogen Bonding

    OpenAIRE

    Yuan, Hongbo; Xu, Jialiang; van Dam, Eliane P.; Giubertoni, Giulia; Rezus, Yves L. A.; Hammink, Roel; Bakker, Huib J.; Zhan, Yong; Rowan, Alan E.; Xing, Chengfen; Kouwer, Paul H. J.

    2017-01-01

    Enhancing the thermal stability of proteins is an important task for protein engineering. There are several ways to increase the thermal stability of proteins in biology, such as greater hydrophobic interactions, increased helical content, decreased occurrence of thermolabile residues, or stable hydrogen bonds. Here, we describe a well-defined polymer based on β-helical polyisocyanotripeptides (TriPIC) that uses biological approaches, including hydrogen bonding and hydrophobic interactions fo...

  2. Liquid Water may Stick on Hydrophobic Surfaces

    Indian Academy of Sciences (India)

    IAS Admin

    Indian Institute of Technology Kharagpur, India. Liquid Water may Stick on Hydrophobic. Surfaces. Suman Chakraborty. Professor. Department of Mechanical Engineering, IIT Kharagpur, India. July, 2016 ...

  3. Hydrophobic solvation of nonspherical solutes

    International Nuclear Information System (INIS)

    Pratt, L.R.; Chandler, D.

    1980-01-01

    The theory of hydrophobic effects presented by Pratt and Chandler is generalized to include nonpolar solutes which are distinctly aspherical. The theory is used to study the solvation of simple aspherical hydrocarbon solutes in liquid water. The radial solvation of each component of diatomiclike solutes is studied as a function of their separation, or bond length. From these results it is found that when the bond length is large enough that one water molecule can fit between the apolar pair, the radial solvation of each is the same as that when the bond length approaches infinity. The solvation of the various sites of the homologous series methane, ethane, propane, and n-butane is also studied, and effects of the geometrical structure of the solutes on their solvation is discussed

  4. In silico modelling for predicting the cationic hydrophobicity and cytotoxicity of ionic liquids towards the Leukemia rat cell line, Vibrio fischeri and Scenedesmus vacuolatus based on molecular interaction potentials of ions.

    Science.gov (United States)

    Cho, C-W; Ranke, J; Arning, J; Thöming, J; Preiss, U; Jungnickel, C; Diedenhofen, M; Krossing, I; Stolte, S

    2013-10-01

    In this study we present prediction models for estimating in silico the cationic hydrophobicity and the cytotoxicity (log [1/EC50]) of ionic liquids (ILs) towards the Leukemia rat cell line (IPC-81), the marine bacterium Vibrio fischeri and the limnic green algae Scenedesmus vacuolatus using linear free energy relationship (LFER) descriptors computed by COSMO calculations. The LFER descriptors used for the prediction model (i.e. excess molar refraction (E), dipolarity/polarizability (S), hydrogen-bonding acidity (A), hydrogen-bonding basicity (B) and McGowan volume (V)) were calculated using sub-descriptors (sig2, sig3, HBD3, HBA4, MR, and volume) derived from COSMO-RS, COSMO and OBPROP. With the combination of two solute descriptors (B, V) of the cation we were able to predict cationic hydrophobicity values (log ko ) with r (2) = 0.987 and standard error (SE) = 0.139 log units. By using the calculated log k o values, we were able to deduce a linear toxicity prediction model. In the second prediction study for the cytotoxicity of ILs, analysis of descriptor sensitivity helped us to determine that the McGowan volume (V) terms of the cation was the most important predictor of cytotoxicity and to simplify prediction models for cytotoxicity of ILs towards the IPC-81 (r (2) of 0.778, SE of 0.450 log units), Vibrio fischeri (r (2) of 0.762, SE of 0.529 log units) and Scenedesmus vacuolatus (r (2) of 0.776, SE of 0.825 log units). The robustness and predictivity of the two models for IPC-81 and Vibrio fischeri were checked by comparing the calculated SE and r (2) (coefficient of determination) values of the test set.

  5. Early Observations of the Type Ia Supernova iPTF 16abc: A Case of Interaction with Nearby, Unbound Material and/or Strong Ejecta Mixing

    Science.gov (United States)

    Miller, A. A.; Cao, Y.; Piro, A. L.; Blagorodnova, N.; Bue, B. D.; Cenko, S. B.; Dhawan, S.; Ferretti, R.; Fox, O. D.; Fremling, C.; Goobar, A.; Howell, D. A.; Hosseinzadeh, G.; Kasliwal, M. M.; Laher, R. R.; Lunnan, R.; Masci, F. J.; McCully, C.; Nugent, P. E.; Sollerman, J.; Taddia, F.; Kulkarni, S. R.

    2018-01-01

    Early observations of Type Ia supernovae (SNe Ia) provide a unique probe of their progenitor systems and explosion physics. Here we report the intermediate Palomar Transient Factory (iPTF) discovery of an extraordinarily young SN Ia, iPTF 16abc. By fitting a power law to our early light curve, we infer that first light for the SN, that is, when the SN could have first been detected by our survey, occurred only 0.15{+/- }0.070.15 days before our first detection. In the ∼24 hr after discovery, iPTF 16abc rose by ∼2 mag, featuring a near-linear rise in flux for ≳ 3 days. Early spectra show strong C II absorption, which disappears after ∼7 days. Unlike the extensively observed Type Ia SN 2011fe, the {(B-V)}0 colors of iPTF 16abc are blue and nearly constant in the days after explosion. We show that our early observations of iPTF 16abc cannot be explained by either SN shock breakout and the associated, subsequent cooling or the SN ejecta colliding with a stellar companion. Instead, we argue that the early characteristics of iPTF 16abc, including (i) the rapid, near-linear rise, (ii) the nonevolving blue colors, and (iii) the strong C II absorption, are the result of either ejecta interaction with nearby, unbound material or vigorous mixing of radioactive 56Ni in the SN ejecta, or a combination of the two. In the next few years, dozens of very young normal SNe Ia will be discovered, and observations similar to those presented here will constrain the white dwarf explosion mechanism.

  6. On the rheology of mixed systems of hydrophobically modified polyacrylate microgels and surfactants: Role of the surfactant architecture.

    Science.gov (United States)

    Alves, Luís; Lindman, Björn; Klotz, Björn; Böttcher, Axel; Haake, Hans-Martin; Antunes, Filipe E

    2018-03-01

    The rheological control of suspensions is of key interest in the formulation design. A chemically cross-linked hydrophobically modified poly(acrylic acid) (HMCL-PAA), used as rheology modifier, is pH sensitive and shows swelling behavior above a critical pH due to the ionization of the acrylic acid groups. At low pH, HMCL-PAA suspensions are liquid and turbid. The binding of surfactants to HMCL-PAA, at low pH conditions, can result in significant changes on rheology and transparency of the polymeric suspensions, due to the swelling of the microgel particles. The influence of surfactants addition on the rheological properties and transparency of HMCL-PAA suspensions was determined. A systematic study was performed using different types of surfactants (ionic, non-ionic and zwitterionic). The gelation efficiency of HMCL-PAA suspensions at low pH is strongly dependent on surfactant architecture: ionic surfactants are found to be much more efficient than non-ionic or zwitterionic surfactants. Ionic surfactants lead to a liquid-to-gel transition accompanied by an increase of transparency of the suspensions. Among the ionic surfactants, anionics show stronger interactions with the polymer. Also the surfactant hydrophobicity is relevant; the more hydrophobic the surfactant, the stronger is the binding to the polymer and thus the larger the particle swelling. Copyright © 2017 Elsevier Inc. All rights reserved.

  7. 3D modelling of interaction of strongly nonlinear internal seiches with a concave lake topography and a phenomenon of the "lake monsters".

    Science.gov (United States)

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

    2013-04-01

    In the freshwater lakes in moderate latitudes stratification occurs as a result of the seasonal warming of the surface water layer. Than the intense wind surges (usually in autumn) tilt the surface and generate long basin-scale low-frequency standing internal waves (seiches). Depending on the initial interface tilt and stratification wide spectra of possible flow regimes can be observed [1]-[2].They varied from small amplitude symmetric seiches to large amplitude nonlinear waves.Nonlinearity leads to an asymmetry of internal waves and appearance of the surge or bore and further disintegration of it on a sequence of solitary waves. In present study degeneration of the strongly nonlinear internal seiches in elongated lakes with a concave "spoon-like" topography is investigated.Two different three-dimensional non-hydrostatic free-surface numerical models are used to investigate degeneration of large internal waves and its subsequent interaction with the concave lake slope. One of this model is non-hydrostatic model [3] and the other is a well-known MIT model. At first we consider idealized elongated elliptic-shape lake with the dimension of 5 km X 1 km with the maximal depth 30 m. The stratification in lake is assumed to be given in a form of the tangent function with a density difference between upper and lower layers 2 kgm-3 . It is assumed that motion in such lake is initiated by inclination of thermocline on a certain angle. Than lake adjusts to return to its original state producing internal seiches which begin interacting with a bottom topography. The process of degeneration of internal seiches in the lake with concave ends consist of chain of elementary processes: 1) steeping of long basin scale large amplitude wave, that evolve into internal surge, 2) surge interact with concave lake ends that leads the concentration of the flow and formation of down slope bottom jet along the lake axis, 3) due to cumulative effect local velocity in the jet accelerates up to

  8. Online coupling of hydrophilic interaction/strong cation exchange/reversed-phase liquid chromatography with porous graphitic carbon liquid chromatography for simultaneous proteomics and N-glycomics analysis.

    Science.gov (United States)

    Zhao, Yun; Law, Henry C H; Zhang, Zaijun; Lam, Herman C; Quan, Quan; Li, Guohui; Chu, Ivan K

    2015-10-09

    In this study we developed a fully automated three-dimensional (3D) liquid chromatography methodology-comprising hydrophilic interaction separation as the first dimension, strong cation exchange fractionation as the second dimension, and low-pH reversed-phase (RP) separation as the third dimension-in conjunction downstream with additional complementary porous graphitic carbon separation, to capture non-retained hydrophilic analytes, for both shotgun proteomics and N-glycomics analyses. The performance of the 3D system alone was benchmarked through the analysis of the total lysate of Saccharomyces cerevisiae, leading to improved hydrophilic peptide coverage, from which we identified 19% and 24% more proteins and peptides, respectively, relative to those identified from a two-dimensional hydrophilic interaction liquid chromatography and low-pH RP chromatography (HILIC-RP) system over the same mass spectrometric acquisition time; consequently, the 3D platform also provided enhanced proteome and protein coverage. When we applied the integrated technology to analyses of the total lysate of primary cerebellar granule neurons, we characterized a total of 2201 proteins and 16,937 unique peptides for this primary cell line, providing one of its most comprehensive datasets. Our new integrated technology also exhibited excellent performance in the first N-glycomics analysis of cynomolgus monkey plasma; we successfully identified 122 proposed N-glycans and 135 N-glycosylation sites from 122 N-glycoproteins, and confirmed the presence of 38 N-glycolylneuraminic acid-containing N-glycans, a rare occurrence in human plasma, through tandem mass spectrometry for the first time. Copyright © 2015 Elsevier B.V. All rights reserved.

  9. Case study of hydrogen bonding in a hydrophobic cavity.

    Science.gov (United States)

    Chen, Yi-Chen; Cheng, Chao-Sheng; Tjong, Siu-Cin; Yin, Hsien-Sheng; Sue, Shih-Che

    2014-12-18

    Protein internal hydrogen bonds and hydrophobicity determine protein folding and structure stabilization, and the introduction of a hydrogen bond has been believed to represent a better interaction for consolidating protein structure. We observed an alternative example for chicken IL-1β. The native IL-1β contains a hydrogen bond between the Y157 side-chain OηH and I133 backbone CO, whereby the substitution from Tyr to Phe abolishes the connection and the mutant without the hydrogen bond is more stable. An attempt to explain the energetic view of the presence of the hydrogen bond fails when only considering the nearly identical X-ray structures. Here, we resolve the mechanism by monitoring the protein backbone dynamics and interior hydrogen bond network. IL-1β contains a hydrophobic cavity in the protein interior, and Y157 is one of the surrounding residues. The Y157 OηH group introduces an unfavorable energy in the hydrophobic cavity, therefore sequestering itself by forming a hydrogen bond with the proximate residue I133. The hydrogen bonding confines Y157 orientation but exerts a force to disrupt the hydrogen bond network surrounding the cavity. The effect propagates over the entire protein and reduces the stability, as reflected in the protein backbone dynamics observed by an NMR hydrogen-deuterium (H/D) exchange experiment. We describe the particular case in which a hydrogen bond does not necessarily confer enhanced protein stability while the disruption of hydrophobicity must be integrally considered.

  10. Evaluation of Sulfonate-Based Collectors with Different Hydrophobic Tails for Flotation of Fluorite

    Directory of Open Access Journals (Sweden)

    Renji Zheng

    2018-02-01

    Full Text Available This investigation aims to demonstrate the effects of hydrophobic tails on the affinity and relevant flotation response of sulfonate-based collectors for fluorite. For this purpose, a series of alkyl sulfonates with different hydrophobic tails, namely sodium decanesulfonate (C10, sodium dodecylsulfate (C12, sodium hexadecanesulfonate (C16, and sodium dodecylbenzenesulfonate (C12B were applied. The flotation tests showed that C12 and C12B had a better collecting performance than C10 and C16 at pH < 10, and the flotation recovery of fluorite was higher when adopting C12B as a collector compared with C12 with a strong base. The adsorption behaviors of collectors on the fluorite surface were studied through zeta potential, Fourier transform infrared (FTIR, and X-ray photoelectron spectroscopy (XPS analyses. It was found that the affinity of alkyl sulfonates for fluorite was enhanced with the increase of the alkyl chain length from C10 to C16. The existence of phenyl in the hydrophobic tail of sulfonates could improve its activity for fluorite by reducing its surface tension. The abnormal phenomenon C16 with a high affinity for fluorite had a low collecting performance for fluorite mainly due to its overlong alkyl chain, resulting in low solubility in pulp, which restrained its interaction with fluorite. We concluded that C12B was the most applicable collector for fluorite among these reagents due to its high activity, high solubility, and low cost, which was further substantiated by calculating their molecular frontier orbital energy.

  11. Double salt ionic liquids based on 1-ethyl-3-methylimidazolium acetate and hydroxyl-functionalized ammonium acetates: strong effects of weak interactions.

    Science.gov (United States)

    Pereira, Jorge F B; Barber, Patrick S; Kelley, Steven P; Berton, Paula; Rogers, Robin D

    2017-10-11

    The properties of double salt ionic liquids based on solutions of cholinium acetate ([Ch][OAc]), ethanolammonium acetate ([NH 3 (CH 2 ) 2 OH][OAc]), hydroxylammonium acetate ([NH 3 OH][OAc]), ethylammonium acetate ([NH 3 CH 2 CH 3 ][OAc]), and tetramethylammonium acetate ([N(CH 3 ) 4 ][OAc]) in 1-ethyl-3-methylimidazolium acetate ([C 2 mim][OAc]) were investigated by NMR spectroscopy and X-ray crystallography. Through mixture preparation, the solubility of [N(CH 3 ) 4 ][OAc] is the lowest, and [Ch][OAc] shows a 3-fold lower solubility than the other hydroxylated ammonium acetate-based salts in [C 2 mim][OAc] at room temperature. NMR and X-ray crystallographic studies of the pure salts suggest that the molecular-level mechanisms governing such miscibility differences are related to the weaker interactions between the -NH 3 groups and [OAc] - , even though three of these salts possess the same strong 1 : 1 hydrogen bonds between the cation -OH group and the [OAc] - ion. The formation of polyionic clusters between the anion and those cations with unsatisfied hydrogen bond donors seems to be a new tool by which the solubility of these salts in [C 2 mim][OAc] can be controlled.

  12. Functionalization of Strongly Interacting Magnetic Nanocubes with (Thermo)responsive Coating and their Application in Hyperthermia and Heat-Triggered Drug Delivery

    KAUST Repository

    Kakwere, Hamilton

    2015-04-03

    Herein we prepare nanohybrids by incorporating iron oxide nanocubes (cubic-IONPs) within a thermo-responsive polymer shell that can act as drug carriers for doxorubicin(doxo). The cubic-shaped nanoparticles employed are at the interface between superparamagnetic and ferromagnetic behavior and have an exceptionally high specific absorption rate (SAR) but their functionalization is extremely challenging compared to bare superparamagnetic iron oxide nanoparticles as they strongly interact with each other. By conducting the polymer grafting reaction using reversible addition-fragmentation chain transfer (RAFT) polymerization in a viscous solvent medium, we have here developed a facile approach to decorate the nanocubes with stimuli-responsive polymers. When the thermo-responsive shell is composed of poly(N-isopropyl acrylamide-co-polyethylene glycolmethylether acrylate), nanohybrids have a phase transition temperature, the lower critical solution temperature (LCST), above 37 °C in physiological conditions. Doxo loaded nanohybrids exhibited a negligible drug release below 37 °C but showed a consistent release of their cargo on demand by exploiting the capability of the nanocubes to generate heat under an alternating magnetic field (AMF). Moreover, the drug free nanocarrier does not exhibit cytotoxicity even when administered at high concentration of nanocubes (1g/L of iron) and internalized at high extent (260 pg of iron per cell). We have also implemented the synthesis protocol to decorate the surface of nanocubes with poly(vinylpyridine) polymer and thus prepare pH-responsive shell coated nanocubes.

  13. Strongly Correlated Topological Insulators

    Science.gov (United States)

    2016-02-03

    Strongly Correlated Topological Insulators In the past year, the grant was used for work in the field of topological phases, with emphasis on finding...surface of topological insulators. In the past 3 years, we have started a new direction, that of fractional topological insulators. These are materials...in which a topologically nontrivial quasi-flat band is fractionally filled and then subject to strong interactions. The views, opinions and/or

  14. Characterization and cytotoxicity studies on liposome-hydrophobic magnetite hybrid colloids.

    Science.gov (United States)

    Floris, Alice; Sinico, Chiara; Fadda, Anna Maria; Lai, Francesco; Marongiu, Francesca; Scano, Alessandra; Pilloni, Martina; Angius, Fabrizio; Vázquez-Vázquez, Carlos; Ennas, Guido

    2014-07-01

    The aim of this study was to highlight the main features of magnetoliposomes prepared by TLE, using hydrophobic magnetite, and stabilized with oleic acid, instead of using the usual hydrophilic magnetite surrounded by sodium citrate. These biocompatible magnetoliposomes (MLs) were prepared with the purpose of producing a magnetic carrier capable of loading either hydrophilic or lipophilic drugs. The effect of different liposome/magnetite weight ratios on the stability of magnetoliposomes was evaluated by monitoring the mean diameter of the particles, their polydispersity index, and zeta potential over time. The prepared magnetoliposomes showed a high liposome-magnetite association, with magnetoliposomes containing PEG (polyethylene glycol) showing the best magnetite loading values. To verify the position of magnetite nanoparticles in the vesicular structures, the morphological characteristics of the structures were studied using transmission electron microscopy (TEM). TEM studies showed a strong affinity between hydrophobic magnetite nanoparticles, the surrounding oleic acid molecules, and phospholipids. Furthermore, the concentration above which one would expect to find a cytotoxic effect on cells as well as morphological cell-nanoparticle interactions was studied in situ by using the trypan blue dye exclusion assay, and the Prussian Blue modified staining method. Copyright © 2014 Elsevier Inc. All rights reserved.

  15. Durability of hydrophobic treatment of concrete

    NARCIS (Netherlands)

    Vries, J. de; Polder, R.B.; Borsje, H.

    1998-01-01

    The subject of this study was the performance of hydrophobic treatment to protect concrete against chloride penetration from de-icing salts. Hydrophobic treatment makes a concrete surface absorb less water and less chloride. Several types of tests were carried out to study the performance of

  16. Molecular docking using the molecular lipophilicity potential as hydrophobic descriptor: impact on GOLD docking performance.

    Science.gov (United States)

    Nurisso, Alessandra; Bravo, Juan; Carrupt, Pierre-Alain; Daina, Antoine

    2012-05-25

    GOLD is a molecular docking software widely used in drug design. In the initial steps of docking, it creates a list of hydrophobic fitting points inside protein cavities that steer the positioning of ligand hydrophobic moieties. These points are generated based on the Lennard-Jones potential between a carbon probe and each atom of the residues delimitating the binding site. To thoroughly describe hydrophobic regions in protein pockets and properly guide ligand hydrophobic moieties toward favorable areas, an in-house tool, the MLP filter, was developed and herein applied. This strategy only retains GOLD hydrophobic fitting points that match the rigorous definition of hydrophobicity given by the molecular lipophilicity potential (MLP), a molecular interaction field that relies on an atomic fragmental system based on 1-octanol/water experimental partition coefficients (log P(oct)). MLP computations in the binding sites of crystallographic protein structures revealed that a significant number of points considered hydrophobic by GOLD were actually polar according to the MLP definition of hydrophobicity. To examine the impact of this new tool, ligand-protein complexes from the Astex Diverse Set and the PDB bind core database were redocked with and without the use of the MLP filter. Reliable docking results were obtained by using the MLP filter that increased the quality of docking in nonpolar cavities and outperformed the standard GOLD docking approach.

  17. Dynamics of Wetting of Ultra Hydrophobic Surfaces

    Science.gov (United States)

    Mohammad Karim, Alireza; Kim, Jeong-Hyun; Rothstein, Jonathan; Kavehpour, Pirouz; Mechanical and Industrial Engineering, University of Massachusetts, Amherst Collaboration

    2013-11-01

    Controlling the surface wettability of hydrophobic and super hydrophobic surfaces has extensive industrial applications ranging from coating, painting and printing technology and waterproof clothing to efficiency increase in power and water plants. This requires enhancing the knowledge about the dynamics of wetting on these hydrophobic surfaces. We have done experimental investigation on the dynamics of wetting on hydrophobic surfaces by looking deeply in to the dependency of the dynamic contact angles both advancing and receding on the velocity of the three-phase boundary (Solid/Liquid/Gas interface) using the Wilhelmy plate method with different ultra-hydrophobic surfaces. Several fluids with different surface tension and viscosity are used to study the effect of physical properties of liquids on the governing laws.

  18. Solution properties of hydrophobically modified

    Directory of Open Access Journals (Sweden)

    A.M. Al-Sabagh

    2016-12-01

    Full Text Available We tested nine hydrophobically modified polyacrylamides with molecular weights situated between 1.58 and 0.89 × 106 g/mol for enhanced oil recovery applications. Their solution properties were investigated in the distilled water, brine solution, formation water and sea water. Their critical association concentrations were determined from the relationship between their concentrations and the corresponding apparent viscosities (ηapp at 30 °C at shear rate 6 s−1. They were between 0.4 and 0.5 g/dl. The brine solutions of 0.5 g/dl of HM-PAMs were investigated at different conditions regarding their apparent viscosities. Such conditions were mono and divalent cations, temperature ranging from 30 to 90 °C, the shear rate ranging from 6 to 30 s−1 and the aging time for 45 days. The surface and interfacial tensions for the HM-PAMs were measured for concentration range from 0.01 to 1 g/dl brine solutions at 30 °C and their emulsification efficiencies were investigated for 7 days. The discrepancy in the properties and efficiencies of the tested copolymers was discussed in the light of their chemical structure.

  19. In-line gas chromatographic apparatus for measuring the hydrophobic micropore volume (HMV) and contaminant transformation in mineral micropores.

    Science.gov (United States)

    Cheng, Hefa; Reinhard, Martin

    2010-07-15

    Desorption of hydrophobic organic compounds from micropores is characteristically slow compared to surface adsorption and partitioning. The slow-desorbing mass of a hydrophobic probe molecule can be used to calculate the hydrophobic micropore volume (HMV) of microporous solids. A gas chromatographic apparatus is described that allows characterization of the sorbed mass with respect to the desorption rate. The method is demonstrated using a dealuminated zeolite and an aquifer sand as the model and reference sorbents, respectively, and trichloroethylene (TCE) as the probe molecule. A glass column packed with the microporous sorbent is coupled directly to a gas chromatograph that is equipped with flame ionization and electron capture detectors. Sorption and desorption of TCE on the sorbent was measured by sampling the influent and effluent of the column using a combination of switching and injection valves. For geosorbents, the HMV is quantified based on Gurvitsch's rule from the mass of TCE desorbed at a rate that is characteristic for micropores. Instrumental requirements, design considerations, hardware details, detector calibration, performance, and data analysis are discussed along with applications. The method is novel and complements traditional vacuum gravimetric and piezometric techniques, which quantify the total pore volume under vacuum conditions. The HMV is more relevant than the total micropore volume for predicting the fate and transport of organic contaminants in the subsurface. Sorption in hydrophobic micropores strongly impacts the mobility of organic contaminants, and their chemical and biological transformations. The apparatus can serve as a tool for characterizing microporous solids and investigating contaminant-solid interactions. 2010 Elsevier B.V. All rights reserved.

  20. Entropic formulation for the protein folding process: Hydrophobic stability correlates with folding rates

    Science.gov (United States)

    Dal Molin, J. P.; Caliri, A.

    2018-01-01

    Here we focus on the conformational search for the native structure when it is ruled by the hydrophobic effect and steric specificities coming from amino acids. Our main tool of investigation is a 3D lattice model provided by a ten-letter alphabet, the stereochemical model. This minimalist model was conceived for Monte Carlo (MC) simulations when one keeps in mind the kinetic behavior of protein-like chains in solution. We have three central goals here. The first one is to characterize the folding time (τ) by two distinct sampling methods, so we present two sets of 103 MC simulations for a fast protein-like sequence. The resulting sets of characteristic folding times, τ and τq were obtained by the application of the standard Metropolis algorithm (MA), as well as by an enhanced algorithm (Mq A). The finding for τq shows two things: (i) the chain-solvent hydrophobic interactions {hk } plus a set of inter-residues steric constraints {ci,j } are able to emulate the conformational search for the native structure. For each one of the 103MC performed simulations, the target is always found within a finite time window; (ii) the ratio τq / τ ≅ 1 / 10 suggests that the effect of local thermal fluctuations, encompassed by the Tsallis weight, provides to the chain an innate efficiency to escape from energetic and steric traps. We performed additional MC simulations with variations of our design rule to attest this first result, both algorithms the MA and the Mq A were applied to a restricted set of targets, a physical insight is provided. Our second finding was obtained by a set of 600 independent MC simulations, only performed with the Mq A applied to an extended set of 200 representative targets, our native structures. The results show how structural patterns should modulate τq, which cover four orders of magnitude; this finding is our second goal. The third, and last result, was obtained with a special kind of simulation performed with the purpose to explore a

  1. Patterned hydrophobic and hydrophilic surfaces of ultra-smooth nanocrystalline diamond layers

    Energy Technology Data Exchange (ETDEWEB)

    Mertens, M., E-mail: michael.mertens@uni-ulm.de [Institute of Micro and Nanomaterials, Ulm University, 89081 Ulm (Germany); Mohr, M.; Brühne, K.; Fecht, H.J. [Institute of Micro and Nanomaterials, Ulm University, 89081 Ulm (Germany); Łojkowski, M.; Święszkowski, W. [Faculty of Materials Science and Engineering, Warsaw University of Technology, Warsaw (Poland); Łojkowski, W. [Institute of High Pressure Physics, Polish Academy of Sciences, Warsaw (Poland)

    2016-12-30

    Highlights: • Hydrophobic and hydrophilic properties on fluorine-, hydrogen- and oxygen- terminated ultra-nanocrystalline diamond films. • Micropatterned - multi-terminated layers with both hydrophobic and hydrophilic areas on one sample. • Visualization of multi-terminated surfaces by e.g. SEM and LFM. • Roughness and friction investigations on different terminated surfaces. • Smooth and biocompatible surfaces with same roughness regardless of hydrophobicity for microbiological investigations. - Abstract: In this work, we show that ultra nanocrystalline diamond (UNCD) surfaces have been modified to add them hydrophobic and hydrophilic properties. The nanocrystalline diamond films were deposited using the hot filament chemical vapor deposition (HFCVD) technique. This allows growing diamond on different substrates which can be even 3D or structured. Silicon and, for optical applications, transparent quartz glass are the preferred substrates for UNCD layers growth. Fluorine termination leads to strong hydrophobic properties as indicated by a high contact angle for water of more than 100°. Hydrogen termination shows lesser hydrophobic behavior. Hydrophilic characteristics has been realised with oxygen termination. X-ray photoelectron spectroscopy (XPS) and energy dispersive X-ray spectroscopy (EDX) measurements confirm the oxygen and fluorine- termination on the nanocrystalline diamond surface. Further, by micropatterning using photolithography, multi-terminated layers have been created with both hydrophobic and hydrophilic areas. In addition, we have shown that retermination is achieved, and the properties of the surface have been changed from hydrophobic to hydrophilic and vice versa. Micro- roughness and stress in the grown film influences slightly the wetting angle as well. The opportunity to realize local differences in hydrophobicity on nanocrystalline diamond layers, in any size or geometry, offers interesting applications for example in

  2. PLA-PEG-PLA copolymer-based polymersomes as nanocarriers for delivery of hydrophilic and hydrophobic drugs: preparation and evaluation with atorvastatin and lisinopril.

    Science.gov (United States)

    Danafar, H; Rostamizadeh, K; Davaran, S; Hamidi, M

    2014-10-01

    Tri-block poly(lactide)-poly(ethylene glycol)-poly(lactide) (PLA-PEG-PLA) copolymers were synthesized and used to prepare polymersomes loaded separately by the hydrophobic and hydrophilic model drugs, atorvastatin and lisinopril, respectively. The resulting nanostructures were characterized by various techniques such as FTIR, DSC, PCS and AFM. The polymersomes exhibited high encapsulation efficiencies of almost 78% and 70.8% for atorvastatin and lisinopril, respectively. Investigation on FTIR and DSC results revealed that such a high encapsulation efficiency is due to strong interaction between atorvastatin and the copolymer. The impact of drug/copolymer ratio and copolymer composition on drug-loading efficiency and drug release behavior were also studied. The results showed that in case of lisinopril, polymersomes exhibited a triphasic drug release, while for atorvastatin a biphasic release profile was obtained. Overall, the results indicated that PLA-PEG-PLA polymersomes can be considered as a promising carrier for both hydrophilic and hydrophobic drugs.

  3. Ligand binding induces a sharp decrease in hydrophobicity of folate binding protein assessed by 1-anilinonaphthalene-8-sulphonate which suppresses self-association of the hydrophobic apo-protein

    DEFF Research Database (Denmark)

    Holm, Jan; Lawaetz, Anders Juul; Hansen, Steen I.

    2012-01-01

    decrease of the surface hydrophobicity associated with the ligand-induced conformation change of FBP, and protein-inter-protein interactions involved in self-association of hydrophobic apo-FBP. The extrinsic fluorescent apolar dye 1-anilinonaphthalene-8-sulphonate (ANS) exhibited enhanced fluorescence...

  4. Gas solubility in hydrophobic confinement.

    Science.gov (United States)

    Luzar, Alenka; Bratko, Dusan

    2005-12-01

    Measured forces between apolar surfaces in water have often been found to be sensitive to exposure to atmospheric gases despite low gas solubilities in bulk water. This raises questions as to how significant gas adsorption is in hydrophobic confinement, whether it is conducive to water depletion at such surfaces, and ultimately if it can facilitate the liquid-to-gas phase transition in the confinement. Open Ensemble molecular simulations have been used here to determine saturated concentrations of atmospheric gases in water-filled apolar confinements as a function of pore width at varied gas fugacities. For paraffin-like confinements of widths barely exceeding the mechanical instability threshold (spinodal) of the liquid-to-vapor transition of confined water (aqueous film thickness between three and four molecular diameters), mean gas concentrations in the pore were found to exceed the bulk values by a factor of approximately 30 or approximately 15 in cases of N2 and CO2, respectively. At ambient conditions, this does not result in visible changes in the water density profile next to the surfaces. Whereas the barrier to capillary evaporation has been found to decrease in the presence of dissolved gas (Leung, K.; Luzar, A.; and Bratko, D. Phys. Rev. Lett. 2003, 90, 065502), gas concentrations much higher than those observed at normal atmospheric conditions would be needed to produce noticeable changes in the kinetics of capillary evaporation. In simulations, dissolved gas concentrations corresponding to fugacities above approximately 40 bar for N2, or approximately 2 bar for CO2, were required to trigger expulsion of water from a hydrocarbon slit as narrow as 1.4 nm. For nanosized pore widths corresponding to the mechanical instability threshold or above, no significant coupling between adsorption layers at opposing confinement walls was observed. This finding explains the approximately linear increase in gas solubility with inverse confinement width and the

  5. Nanoscale encapsulation: the structure of cations in hydrophobic microporous aluminosilicates

    International Nuclear Information System (INIS)

    Wasserman, S.R.; Yuchs, S.E.; Giaquinta, D.; Soderholm, L.; Song, Kang.

    1996-01-01

    Hydrophobic microporous aluminosilicates, created by organic surface modification of inherently hydrophilic materials such as zeolites and clays, are currently being investigated as storage media for hazardous cations. Use of organic monolayers to modify the surface of an aluminosilicate after introducing an ion into the zeolite/clay reduces the interaction of water with the material. Resulting systems are about 20 times more resistant to leaching of stored ion. XAS spectra from the encapsulated ion demonstrate that byproducts from the organic modifier can complex with the stored cation. This complexation can result in a decreased affinity of the cation for the aluminosilicate matrix. Changing the organic modifier eliminates this problem. XAS spectra also indicate that the reactivity and speciation of the encapsulated ion may change upon application of the hydrophobic layer

  6. Super-hydrophobic fluorine containing aerogels

    Science.gov (United States)

    Coronado, Paul R [Livermore, CA; Poco, John F [Livermore, CA; Hrubesh, Lawrence W [Pleasanton, CA

    2007-05-01

    An aerogel material with surfaces containing fluorine atoms which exhibits exceptional hydrophobicity, or the ability to repel liquid water. Hydrophobic aerogels are efficient absorbers of solvents from water. Solvents miscible with water are separated from it because the solvents are more volatile than water and they enter the porous aerogel as a vapor across the liquid water/solid interface. Solvents that are immisicble with water are separated from it by selectively wetting the aerogel. The hydrophobic property is achieved by formulating the aerogel using fluorine containing molecules either directly by addition in the sol-gel process, or by treating a standard dried aerogel using the vapor of fluorine containing molecules.

  7. Stabilization of enzyme by using hydrophobic ligands

    Energy Technology Data Exchange (ETDEWEB)

    Ota, H.; Yamahara, K.; Kuboi, R. [Osaka University, Osaka (Japan)

    1998-02-01

    The protection (stabilization) effect of various hydrophobic ligands on the denaturation and aggregation of carbonic anhydrase from bovine (CAB) has been quantitatively investigated under various heat stress conditions. In a limited temperature range (40-60degC), where the protein was only partially denatured and the local hydrophobicities (LH) of CAB were positive effective stabilization of the protein is achieved by the addition of various ligands. The importance of balance between hydrophobic head and hydrophilic tail of the ligands is hypothesized. 18 refs., 5 figs.

  8. Surface analysis of selected hydrophobic materials

    Science.gov (United States)

    Wisniewska, Sylwia Katarzyna

    This dissertation contains a series of studies on hydrophobic surfaces by various surface sensitive techniques such as contact angle measurements, Fourier transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM), and atomic force microscopy (AFM). Hydrophobic surfaces have been classified as mineral surfaces, organic synthetic surfaces, or natural biological surfaces. As a model hydrophobic mineral surface, elemental sulfur has been selected. The sulfur surface has been characterized for selected allotropic forms of sulfur such as rhombic, monoclinic, plastic, and cyclohexasulfur. Additionally, dextrin adsorption at the sulfur surface was measured. The structure of a dextrin molecule showing hydrophobic sites has been presented to support the proposed hydrophobic bonding nature of dextrin adsorption at the sulfur surface. As a model organic hydrophobic surface, primary fatty amines such as dodecylamine, hexadecylamine, and octadecylamine were chosen. An increase of hydrophobicity, significant changes of infrared bands, and surface topographical changes with time were observed for each amine. Based on the results it was concluded that hydrocarbon chain rearrangement associated with recrystallization took place at the surface during contact with air. A barley straw surface was selected as a model of biological hydrophobic surfaces. The differences in the contact angles for various straw surfaces were explained by the presence of a wax layer. SEM images confirmed the heterogeneity and complexity of the wax crystal structure. AFM measurements provided additional structural details including a measure of surface roughness. Additionally, straw degradation as a result of conditioning in an aqueous environment was studied. Significant contact angle changes were observed as soon as one day after conditioning. FTIR studies showed a gradual wax layer removal due to straw surface decomposition. SEM and AFM images revealed topographical changes and biological

  9. Synthesis, Characterization and Application of Hydrophobic Zeolites

    OpenAIRE

    Heidari, Rulis

    2016-01-01

    The aim of the thesis was to design and synthesize a type of zeolite with the characteristics of hydrophobicity, high porosity, and proper pore size, which can be used for high-performance adsorption of ethanol from aqueous solution. In addition, the aim was to synthesize hydrophobic microporous zeolites including theoretic and experimental content. The experiment was carried out using hydroxide basic system and hydrogen fluoride neutral based on hydrothermal methods. Pure silica zeolites...

  10. Heat-resistant hydrophobic-oleophobic coatings

    OpenAIRE

    Uyanik, Mehmet; Arpac, Ertugrul; Schmidt, Helmut K.; Akarsu, Murat; Sayilkan, Funda; Sayilkan, Hikmet

    2006-01-01

    Thermally and chemically durable hydrophobic oleophobic coatings, containing different ceramic particles such as SiO2, SiC, Al 2O3, which can be alternative instead of Teflon, have been developed and applied on the aluminum substrates by spin-coating method. Polyimides, which are high-thermal resistant heteroaromatic polymers, were synthesized, and fluor oligomers were added to these polymers to obtain hydrophobic-oleophobic properties. After coating, Al surface was subjected to Taber-abrasio...

  11. Hydrophobicity study of kaolinite from La Unión, Antioquia

    Directory of Open Access Journals (Sweden)

    Liliana M. Usuga-Manco

    2015-07-01

    Full Text Available In this research three methodologies to convert the hydrophilic surface of kaolinite into a hydrophobic surface are proposed, this condition is required to recover this mineral by means of froth flotation. Taking into account the anisotropy, zeta potential and complex surface electrical properties of the kaolinite, three surface chemical treatments based on the interacting and absorption of anionic collectors onto the mineral surface, causing an increase in the contact angle and thus increased hydrophobicity of kaolinite were applied. The methodologies proposed were interactions of kaolinite particles with: sodium dodecyl sulfate solutions with concentration 1x10-3M, 1x10-4M, 1x10-5M; sodium dodecyl sulfate solutions 1x10-3M, 1x10-4M, 1x10-5M with further interaction with kerosene solutions 127000 ppm; and oleic acid solutions 1x10-3M, 1x10-4M, 1x10-5M, each one with a five minutes of interaction. The experimental results obtained by zeta potential and contact angle of the kaolinite before and after applying chemical treatments indicate that larger the chain length of the collector and its concentration, bigger the contact angle and so, more hydrophobic the surface (edge or face. In order to optimize, control and understand this solid-liquid interaction phenomenon is suggested to find out about the hydrophobization mechanism of kaolinite with oleic acid and its percentage of hydrophobization.

  12. Strong Electroweak Symmetry Breaking

    CERN Document Server

    Grinstein, Benjamin

    2011-01-01

    Models of spontaneous breaking of electroweak symmetry by a strong interaction do not have fine tuning/hierarchy problem. They are conceptually elegant and use the only mechanism of spontaneous breaking of a gauge symmetry that is known to occur in nature. The simplest model, minimal technicolor with extended technicolor interactions, is appealing because one can calculate by scaling up from QCD. But it is ruled out on many counts: inappropriately low quark and lepton masses (or excessive FCNC), bad electroweak data fits, light scalar and vector states, etc. However, nature may not choose the minimal model and then we are stuck: except possibly through lattice simulations, we are unable to compute and test the models. In the LHC era it therefore makes sense to abandon specific models (of strong EW breaking) and concentrate on generic features that may indicate discovery. The Technicolor Straw Man is not a model but a parametrized search strategy inspired by a remarkable generic feature of walking technicolor,...

  13. Non-invasive high throughput approach for protein hydrophobicity determination based on surface tension.

    Science.gov (United States)

    Amrhein, Sven; Bauer, Katharina Christin; Galm, Lara; Hubbuch, Jürgen

    2015-12-01

    The surface hydrophobicity of a protein is an important factor for its interactions in solution and thus the outcome of its production process. Yet most of the methods are not able to evaluate the influence of these hydrophobic interactions under natural conditions. In the present work we have established a high resolution stalagmometric method for surface tension determination on a liquid handling station, which can cope with accuracy as well as high throughput requirements. Surface tensions could be derived with a low sample consumption (800 μL) and a high reproducibility (content. The protein influence on the solutions' surface tension was correlated to the hydrophobicity of lysozyme, human lysozyme, BSA, and α-lactalbumin. Differences in proteins' hydrophobic character depending on pH and species could be resolved. Within this work we have developed a pH dependent hydrophobicity ranking, which was found to be in good agreement with literature. For the studied pH range of 3-9 lysozyme from chicken egg white was identified to be the most hydrophilic. α-lactalbumin at pH 3 exhibited the most pronounced hydrophobic character. The stalagmometric method occurred to outclass the widely used spectrophotometric method with bromophenol blue sodium salt as it gave reasonable results without restrictions on pH and protein species. © 2015 Wiley Periodicals, Inc.

  14. Adsorption of an endoglucanase from the hyperthermophilic Pyrococcus furiosus on hydrophobic (polystyrene) and hydrophilic (silica) surfaces increases protein heat stability

    NARCIS (Netherlands)

    Koutsopoulos, S.; van der Oost, J.; Norde, Willem

    2004-01-01

    The interaction of an endoglucanase from the hyperthermophilic microorganism Pyrococcus furiosus with two types of surfaces, that is, hydrophobic polystyrene and hydrophilic silica, was investigated, and the adsorption isotherms were determined. The adsorbed hyperthermostable enzyme did not undergo

  15. Evaporation rate of water in hydrophobic confinement.

    Science.gov (United States)

    Sharma, Sumit; Debenedetti, Pablo G

    2012-03-20

    The drying of hydrophobic cavities is believed to play an important role in biophysical phenomena such as the folding of globular proteins, the opening and closing of ligand-gated ion channels, and ligand binding to hydrophobic pockets. We use forward flux sampling, a molecular simulation technique, to compute the rate of capillary evaporation of water confined between two hydrophobic surfaces separated by nanoscopic gaps, as a function of gap, surface size, and temperature. Over the range of conditions investigated (gaps between 9 and 14 Å and surface areas between 1 and 9 nm(2)), the free energy barrier to evaporation scales linearly with the gap between hydrophobic surfaces, suggesting that line tension makes the predominant contribution to the free energy barrier. The exponential dependence of the evaporation rate on the gap between confining surfaces causes a 10 order-of-magnitude decrease in the rate when the gap increases from 9 to 14 Å. The computed free energy barriers are of the order of 50 kT and are predominantly enthalpic. Evaporation rates per unit area are found to be two orders of magnitude faster in confinement by the larger (9 nm(2)) than by the smaller (1 nm(2)) surfaces considered here, at otherwise identical conditions. We show that this rate enhancement is a consequence of the dependence of hydrophobic hydration on the size of solvated objects. For sufficiently large surfaces, the critical nucleus for the evaporation process is a gap-spanning vapor tube.

  16. Hydrostatic pressure effect on hydrophobic hydration and pairwise hydrophobic interaction of methane

    Science.gov (United States)

    Graziano, Giuseppe

    2014-03-01

    At room temperature, the Ben-Naim standard hydration Gibbs energy of methane is a positive quantity that increases markedly with hydrostatic pressure [M. S. Moghaddam and H. S. Chan, J. Chem. Phys. 126, 114507 (2007)]. This finding is rationalized by showing that the magnitude of the reversible work to create a suitable cavity in water increases with pressure due to both the increase in the volume packing density of water and the contribution of the pressure-volume work. According to the present approach, at room temperature, the Gibbs energy of the contact-minimum configuration of two methane molecules is a negative quantity that increases in magnitude with hydrostatic pressure. This result is not in line with the results of several computer simulation studies [T. Ghosh, A. E. Garcia, and S. Garde, J. Am. Chem. Soc. 123, 10997-11003 (2001)], and emerges because pairwise association causes a decrease in solvent-excluded volume that produces a gain of configurational/translational entropy of water molecules, whose magnitude increases with the volume packing density of the liquid phase.

  17. Controllable picoliter pipetting using hydrophobic microfluidic valves

    Science.gov (United States)

    Zhang, M.; Huang, J.; Qian, X.; Mi, S.; Wang, X.

    2017-06-01

    A picoliter pipetting technique using the microfluidic method is presented. Utilizing the hydrophobic self-assembled monolayer films patterned in microchannels as pressure-controlled valves, a small volume of liquid can be separated by a designed channel trap and then ejected from the channel end at a higher pressure. The liquid trap section is composed of a T-shaped channel junction and a hydrophobic patch. The liquid volume can be precisely controlled by varying the distance of the hydrophobic patch from the T-junction. By this means, liquid less than 100 pl can be separated and pipetted. The developed device is potentially useful for sample dispensing in biological, medical, and chemical applications.

  18. The role of London dispersion interactions in strong and moderate intermolecular hydrogen bonds in the crystal and in the gas phase

    Science.gov (United States)

    Katsyuba, Sergey A.; Vener, Mikhail V.; Zvereva, Elena E.; Brandenburg, J. Gerit

    2017-03-01

    Two variants of density functional theory computations have been applied to characterization of hydrogen bonds of the 1-(2-hydroxylethyl)-3-methylimidazolium acetate ([C2OHmim][OAc]), i.e. with and without inclusion of dispersion interactions. A comparison of the results demonstrates that London dispersion interactions have very little impact on the energetical, geometrical, infrared spectroscopic and electron density parameters of charge-assisted intermolecular hydrogen bonds functioning both in the crystal of the [C2OHmim][OAc] and in the isolated [C2OHmim]+ [OAc]- ion pairs.

  19. Theory and phenomenology of strong and weak interaction high energy physics: [Technical progress report, 5/1/86-4/30/87

    International Nuclear Information System (INIS)

    Thews, R.L.

    1986-01-01

    The research reported includes: low energy quark-hadron dynamics; quark-gluon models for hadronic interactions, decays and structure; mathematical and physical properties of nonlinear sigma models, Yang-Mills theories, and Coulomb gases, which are of interest in both particle physics and condensed matter physics; statistical and dynamical aspects of hadronic multiparticle production. 28 refs

  20. Aspects of electron-phonon interactions with strong forward scattering in FeSe Thin Films on SrTiO3 substrates

    Science.gov (United States)

    Wang, Y.; Nakatsukasa, K.; Rademaker, L.; Berlijn, T.; Johnston, S.

    2016-05-01

    Mono- and multilayer FeSe thin films grown on SrTiO3 and BiTiO3 substrates exhibit a greatly enhanced superconductivity over that found in bulk FeSe. A number of proposals have been advanced for the mechanism of this enhancement. One possibility is the introduction of a cross-interface electron-phonon (e-ph) interaction between the FeSe electrons and oxygen phonons in the substrates that is peaked in the forward scattering (small {q}) direction due to the two-dimensional nature of the interface system. Motivated by this, we explore the consequences of such an interaction on the superconducting state and electronic structure of a two-dimensional system using Migdal-Eliashberg (ME) theory. This interaction produces not only deviations from the expectations of conventional phonon-mediated pairing but also replica structures in the spectral function and density of states, as probed by angle-resolved photoemission spectroscopy, scanning tunneling microscopy/spectroscopy, and quasiparticle interference imaging. We also discuss the applicability of ME theory for a situation where the e-ph interaction is peaked at small momentum transfer and in the FeSe/STO system.

  1. Electron-lattice interactions strongly renormalize the charge-transfer energy in the spin-chain cuprate Li.sub.2./sub.CuO.sub.2./sub.

    Czech Academy of Sciences Publication Activity Database

    Johnston, S.; Monney, C.; Bisogni, V.; Zhou, K.J.; Kraus, R.; Behr, G.; Strocov, V.N.; Málek, Jiří; Drechsler, S.L.; Geck, J.; Schmitt, T.; van den Brink, J.

    2016-01-01

    Roč. 7, Feb (2016), 1-7, č. článku 10653. ISSN 2041-1723 Institutional support: RVO:68378271 Keywords : X-ray scattering * electron-lattice interactions * spin-chain cuprates * renormalization of charge- transfer energy Subject RIV: BE - Theoretical Physics Impact factor: 12.124, year: 2016

  2. Viscosity of Water Interfaces with Hydrophobic Nanopores: Application to Water Flow in Carbon Nanotubes.

    Science.gov (United States)

    Shaat, M

    2017-11-07

    The nanoconfinement of water results in changes in water properties and nontraditional water flow behaviors. The determination of the interfacial interactions between water and hydrophobic surfaces helps in understanding many of the nontraditional behaviors of nanoconfined water. In this study, an approach for the identification of the viscosity of water interfaces with hydrophobic nanopores as a function of the nanopore diameter and water-solid (nanopore) interactions is proposed. In this approach, water in a hydrophobic nanopore is represented as a double-phase water with two distinct viscosities: water interface and water core. First, the slip velocity to pressure gradient ratio of water flow in hydrophobic nanopores is obtained via molecular dynamics (MD) simulations. Then the water interface viscosity is determined via a pressure gradient-based bilayer water flow model. Moreover, the core viscosity and the effective viscosity of water flow in hydrophobic nanopores are derived as functions of the nanopore diameter and water-solid interactions. This approach is utilized to report the interface viscosity, core viscosity, and effective viscosity of water flow in carbon nanotubes (CNTs) as functions of the CNT diameter. Moreover, using the proposed approach, the transition from MD to continuum mechanics is revealed where the bulk water properties are recovered for large CNTs.

  3. Monte Carlo simulation of water adsorption in hydrophobic MFI zeolites with hydrophilic sites.

    Science.gov (United States)

    Ahunbay, M Göktuğ

    2011-04-19

    The effect of strong and weak hydrophilic sites, Al atoms with associated extraframework Na cations and silanol nests, respectively, in high-silica MFI zeolites on water adsorption was investigated using Monte Carlo simulations. For this purpose, a new empirical model to represent potential energy interactions between water molecules and the MFI framework was developed, which reproduced the hydrophobic characteristics of a siliceous MFI-type zeolite, silicalite-1, with both the vapor-phase adsorption isotherm and heats of adsorption at 298 K being in good agreement with experimental data. The proposed model is also compatible with previous hydrocarbon potential models and can be used in the adsorption simulations of VOC-water mixtures. Adsorption simulations revealed that strongly hydrophilic Al sites in Na-ZSM-5 zeolites coordinate two water molecules per site at low coverage, which promotes water clustering in the vicinity of these sites. However, weakly hydrophilic silanol nests in silicalite-1 are in coordination with a single water molecule per site, which does not affect the adsorption capacity significantly as expected. However, even in the presence of 0.125 silanol nest per unit cell, the increase in the heat of adsorption at low coverage is drastic. © 2011 American Chemical Society

  4. Displacement of disordered water molecules from hydrophobic pocket creates enthalpic signature: binding of phosphonamidate to the S₁'-pocket of thermolysin.

    Science.gov (United States)

    Englert, L; Biela, A; Zayed, M; Heine, A; Hangauer, D; Klebe, G

    2010-11-01

    Prerequisite for the design of tight binding protein inhibitors and prediction of their properties is an in-depth understanding of the structural and thermodynamic details of the binding process. A series of closely related phosphonamidates was studied to elucidate the forces underlying their binding affinity to thermolysin. The investigated inhibitors are identical except for the parts penetrating into the hydrophobic S₁'-pocket. A correlation of structural, kinetic and thermodynamic data was carried out by X-ray crystallography, kinetic inhibition assay and isothermal titration calorimetry. Binding affinity increases with larger ligand hydrophobic P₁'-moieties accommodating the S₁'-pocket. Surprisingly, larger P₁'-side chain modifications are accompanied by an increase in the enthalpic contribution to binding. In agreement with other studies, it is suggested that the release of largely disordered waters from an imperfectly hydrated pocket results in an enthalpically favourable integration of these water molecules into bulk water upon inhibitor binding. This enthalpically favourable process contributes more strongly to the binding energetics than the entropy increase resulting from the release of water molecules from the S₁'-pocket or the formation of apolar interactions between protein and inhibitor. Displacement of highly disordered water molecules from a rather imperfectly hydrated and hydrophobic specificity pocket can reveal an enthalpic signature of inhibitor binding. Copyright © 2010 Elsevier B.V. All rights reserved.

  5. Hydrophobically Modified Glycol Chitosan Nanoparticles for Targeting Breast Cancer Microcalcification Using Alendronate Probes

    Science.gov (United States)

    Vishnu, Kamalakannan

    In 2016, invasive breast cancer was diagnosed in about 246,660 women and 2,600 men. An additional 61,000 new cases of in situ breast cancer was diagnosed in women. Microcalcifications are most common abnormalities detected by mammography for breast cancer, present in about 30% of all malignant breast lesions. Tumor specific biomarkers are used for targeting these abnormalities. Nanoparticles with multimodal and combinatorial therapies and conjunction of bio-ligands for specific molecular targeting using surface modifications effectually deliver a variety of drugs and are simultaneously used to image tumor progression. Alendronate, a germinal bisphosphonate conjugation as a targeting ligand would improve the nanoparticle's direct binding to hydroxyapatite (HA) mimicking calcified spots in breast cancer lesions. In this study, the hydrophobically modified glycol chitosan (HGC) micelle was modified with alendronate surface functionalization using a biotin-avidin interaction to improve the nanomicelle's calcification targeting ability. Biotinylated, avidinlyated hydrophobically modified iv glycol chitosan particles were linked to biotinylated alendronate via a strong biotin-avidin linkage. Cyanine 3, a red fluorescent dye was conjugated to the amine groups on HGC for visualization of micelles. The size of the nanoparticles measured was 254.0 +/- 0.43 nm and 209.7 +/- 1.0 nm for Cy3- BHGCA and Cy3-BHGCA-BALN nanoparticles respectively. The average surface charge was measured to be +26.9 +/- 0.19 mV and +27.68 +/- 0.20 mV for Cy3-BHGCA and Cy3-BHGCA- BALN nanoparticles respectively. Binding affinity using hydroxyapatite (HA) revealed that both Cy3 BHGCA BALN and Cy3 BHGCA nanoparticles displayed 95% binding in 24 hours. However, the biotin quenched nanoparticle Cy3 BHGCAB displayed 68% binding in 24 hours. The synthesis and binding chemistry was verified using Fourier transform infrared spectroscopy (FTIR).

  6. In vitro evaluation of tissue adhesives composed of hydrophobically modified gelatins and disuccinimidyl tartrate

    Directory of Open Access Journals (Sweden)

    Miyuki Matsuda

    2012-01-01

    Full Text Available The effect of the hydrophobic group content in gelatin on the bonding strength of novel tissue–penetrating tissue adhesives was evaluated. The hydrophobic groups introduced into gelatin were the saturated hexanoyl, palmitoyl, and stearoyl groups, and the unsaturated oleoyl group. A collagen casing was employed as an adherend to model soft tissue for the in vitro determination of bonding strength of tissue adhesives composed of various hydrophobically modified gelatins and disuccinimidyl tartrate. The adhesive composed of stearoyl-modified gelatin (7.4% stearoyl; 10Ste and disuccinimidyl tartrate showed the highest bonding strength. The bonding strength of the adhesives decreased as the degree of substitution of the hydrophobic groups increased. Cell culture experiments demonstrated that fluorescein isothiocyanate-labeled 10Ste was integrated onto the surface of smooth muscle cells and showed no cytotoxicity. These results suggest that 10Ste interacted with the hydrophobic domains of collagen casings, such as hydrophobic amino acid residues and cell membranes. Therefore, 10Ste–disuccinimidyl tartrate is a promising adhesive for use in aortic dissection.

  7. Modification of epoxy resin, silicon and glass surfaces with alkyl- or fluoroalkylsilanes for hydrophobic properties

    Energy Technology Data Exchange (ETDEWEB)

    Marczak, Jacek, E-mail: jacek.marczak@eitplus.pl [Wroclaw Research Centre EIT+ Ltd., 147 Stablowicka St., 54-066 Wrocław (Poland); Kargol, Marta [Wroclaw Research Centre EIT+ Ltd., 147 Stablowicka St., 54-066 Wrocław (Poland); Psarski, Maciej; Celichowski, Grzegorz [Department of Materials Technology and Chemistry, University of Lodz, Pomorska 163, 90-236 Lodz (Poland)

    2016-09-01

    Graphical abstract: - Highlights: • Chemical structure of alkylsilanes and fluoroalkylsilanes can affect the hydrophobic and surface performance of the modified samples. • Wet chemical hydrophobization is relatively simple and inexpensive method to obtain hydrophobic/superhydrophobic coatings. • The samples degradation is not observed and hydrophobic coatings seem to be stable in UV light. - Abstract: Preparation of superhydrophobic materials inspired by nature has attracted a great scientific interest in recent decades. Some of these materials have hierarchical lotus-like structures, i.e. micro- and nano-objects coated by hydrophobic compounds. A major challenge of applying the superhydrophobic surfaces for the self-cleaning coatings preparation is their improved efficiency in varying atmospheric conditions, e.g. UV light. The objective of this research work was to investigate the effect of the different chemical structure and the surface free energy on the hydrophobic and tribological properties of the alkylsilanes and fluoroalkylsilanes deposited on silicon wafers, glass slides and epoxy resin. Tribological and hydrophobic properties of the modified surfaces were correlated with their chemical structures. Chemical structures of the deposited materials were examined by using Fourier transform infrared (FT-IR) spectroscopy and hydrophobic properties were investigated by water contact angle (WCA) and surface free energy (SFE) measurements. The modified surfaces exhibited water contact angles of above 100° for the selected modifiers. It was noticed that the replacement of hydrogen atoms by fluorine atoms in alkyl chain caused an increase in the water contact angle values and a decrease in friction coefficients. The obtained results showed that the carbon chain length of a modifier and its chemical structure can strongly affect the hydrophobic and tribological properties of the modified surfaces. The highest values of WCA, lowest values of SFE and coefficient

  8. Modification of epoxy resin, silicon and glass surfaces with alkyl- or fluoroalkylsilanes for hydrophobic properties

    International Nuclear Information System (INIS)

    Marczak, Jacek; Kargol, Marta; Psarski, Maciej; Celichowski, Grzegorz

    2016-01-01

    Graphical abstract: - Highlights: • Chemical structure of alkylsilanes and fluoroalkylsilanes can affect the hydrophobic and surface performance of the modified samples. • Wet chemical hydrophobization is relatively simple and inexpensive method to obtain hydrophobic/superhydrophobic coatings. • The samples degradation is not observed and hydrophobic coatings seem to be stable in UV light. - Abstract: Preparation of superhydrophobic materials inspired by nature has attracted a great scientific interest in recent decades. Some of these materials have hierarchical lotus-like structures, i.e. micro- and nano-objects coated by hydrophobic compounds. A major challenge of applying the superhydrophobic surfaces for the self-cleaning coatings preparation is their improved efficiency in varying atmospheric conditions, e.g. UV light. The objective of this research work was to investigate the effect of the different chemical structure and the surface free energy on the hydrophobic and tribological properties of the alkylsilanes and fluoroalkylsilanes deposited on silicon wafers, glass slides and epoxy resin. Tribological and hydrophobic properties of the modified surfaces were correlated with their chemical structures. Chemical structures of the deposited materials were examined by using Fourier transform infrared (FT-IR) spectroscopy and hydrophobic properties were investigated by water contact angle (WCA) and surface free energy (SFE) measurements. The modified surfaces exhibited water contact angles of above 100° for the selected modifiers. It was noticed that the replacement of hydrogen atoms by fluorine atoms in alkyl chain caused an increase in the water contact angle values and a decrease in friction coefficients. The obtained results showed that the carbon chain length of a modifier and its chemical structure can strongly affect the hydrophobic and tribological properties of the modified surfaces. The highest values of WCA, lowest values of SFE and coefficient

  9. Impact of nucleic acid self-alignment in a strong magnetic field on the interpretation of indirect spin-spin interactions

    Czech Academy of Sciences Publication Activity Database

    Vavrinská, A.; Zelinka, J.; Šebera, Jakub; Sychrovský, Vladimír; Fiala, R.; Boelens, R.; Sklenář, V.; Trantírek, L.

    2016-01-01

    Roč. 64, č. 1 (2016), s. 53-62 ISSN 0925-2738 R&D Projects: GA ČR GA13-27676S Grant - others:AV ČR(CZ) M200551205 Institutional support: RVO:61388963 Keywords : NMR * DFT calculations * spin-spin interactions * magnetic field Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.410, year: 2016 http://link.springer.com/article/10.1007/s10858-015-0005-x

  10. Dynamics of atoms in strong laser fields I: A quasi analytical model in momentum space based on a Sturmian expansion of the interacting nonlocal Coulomb potential

    Energy Technology Data Exchange (ETDEWEB)

    Ongonwou, F., E-mail: fred.ongonwou@gmail.com [Département de Physique, Faculté des Sciences, Université des Sciences et Techniques de Masuku, B.P. 943 Franceville (Gabon); Tetchou Nganso, H.M., E-mail: htetchou@yahoo.com [Atoms and Molecules Laboratory, Centre for Atomic Molecular Physics and Quantum Optics (CEPAMOQ), Faculty of Science, University of Douala, P.O. Box 8580, Douala (Cameroon); Ekogo, T.B., E-mail: tekogo@yahoo.fr [Département de Physique, Faculté des Sciences, Université des Sciences et Techniques de Masuku, B.P. 943 Franceville (Gabon); Kwato Njock, M.G., E-mail: mkwato@yahoo.com [Atoms and Molecules Laboratory, Centre for Atomic Molecular Physics and Quantum Optics (CEPAMOQ), Faculty of Science, University of Douala, P.O. Box 8580, Douala (Cameroon)

    2016-12-15

    In this study we present a model that we have formulated in the momentum space to describe atoms interacting with intense laser fields. As a further step, it follows our recent theoretical approach in which the kernel of the reciprocal-space time-dependent Schrödinger equation (TDSE) is replaced by a finite sum of separable potentials, each of them supporting one bound state of atomic hydrogen (Tetchou Nganso et al. 2013). The key point of the model is that the nonlocal interacting Coulomb potential is expanded in a Coulomb Sturmian basis set derived itself from a Sturmian representation of Bessel functions of the first kind in the position space. As a result, this decomposition allows a simple spectral treatment of the TDSE in the momentum space. In order to illustrate the credibility of the model, we have considered the test case of atomic hydrogen driven by a linearly polarized laser pulse, and have evaluated analytically matrix elements of the atomic Hamiltonian and dipole coupling interaction. For various regimes of the laser parameters used in computations our results are in very good agreement with data obtained from other time-dependent calculations.

  11. Dynamics of atoms in strong laser fields I: A quasi analytical model in momentum space based on a Sturmian expansion of the interacting nonlocal Coulomb potential

    Science.gov (United States)

    Ongonwou, F.; Tetchou Nganso, H. M.; Ekogo, T. B.; Kwato Njock, M. G.

    2016-12-01

    In this study we present a model that we have formulated in the momentum space to describe atoms interacting with intense laser fields. As a further step, it follows our recent theoretical approach in which the kernel of the reciprocal-space time-dependent Schrödinger equation (TDSE) is replaced by a finite sum of separable potentials, each of them supporting one bound state of atomic hydrogen (Tetchou Nganso et al. 2013). The key point of the model is that the nonlocal interacting Coulomb potential is expanded in a Coulomb Sturmian basis set derived itself from a Sturmian representation of Bessel functions of the first kind in the position space. As a result, this decomposition allows a simple spectral treatment of the TDSE in the momentum space. In order to illustrate the credibility of the model, we have considered the test case of atomic hydrogen driven by a linearly polarized laser pulse, and have evaluated analytically matrix elements of the atomic Hamiltonian and dipole coupling interaction. For various regimes of the laser parameters used in computations our results are in very good agreement with data obtained from other time-dependent calculations.

  12. Hydrophobization of Concrete Using Granular Nanostructured Aggregate

    Science.gov (United States)

    Ogurtsova, Y. N.; Strokova, V. V.; Labuzova, M. V.

    2017-11-01

    The possibility of giving hydrophobical properties to the fine-grained concrete matrix by using a granular nanostructured aggregate (GNA) with a hydrophobizing additive is investigated in this work. GNA is obtained by granulating the silica raw material with an alkaline component. The introduction of a hydrophobizing additive into the raw mix of GNA allows to encapsulate it reducing the negative effect on hydration processes, the intensity of migration of moisture and efflorescence in concrete and, consequently, improving the performance characteristics of fine-grained concrete products. The hydrophobizing ability of a solution of sodium polysilicates formed in the core of GNA during concrete heat and moisture treatment is proved. The analysis of IR spectra after the impregnation of cement stone samples with a solution of sodium polysilicates showed an increase in the degree of hydration and the formation of framework water aluminosilicates. Atmospheric processes modelling showed that the use of GNA on the basis of gaize with calcium stearate and on the basis of fly ash with GKZh-11 makes it possible to increase the resistance of fine-grained concrete to the atmospheric effect of the medium, namely, the outwashing of readily soluble compounds.

  13. A method for detecting hydrophobic patches protein

    NARCIS (Netherlands)

    Lijnzaad, P.; Berendsen, H.J.C.; Argos, P.

    1996-01-01

    A method for the detection of hydrophobic patches on the surfaces of protein tertiary structures is presented, it delineates explicit contiguous pieces of surface of arbitrary size and shape that consist solely of carbon and sulphur atoms using a dot representation of the solvent-accessible surface,

  14. hydrophobic silica membranes for gas separation

    NARCIS (Netherlands)

    de Vos, R.M.; Maier, Wilhelm F.; Verweij, H.

    1999-01-01

    The synthesis and properties of hydrophobic silica membranes are described. These membranes show very high gas permeance for small molecules, such as H2, CO2, N2, O2, and CH4, and permselectivities of 20–50 for these gases with respect to SF6 and larger alkanes like C3H8 and i-C4H10. The membranes

  15. Responsive gelation of hydrophobized linear polymer

    DEFF Research Database (Denmark)

    Madsen, Claus Greve; Toeth, Joachim; Jørgensen, Lene

    In this study we present the rheological properties of a physically linked polymer network, composed of linear hydrophilic chains, modified with hydrophobic moieties in each end. Solutions of the polymer in ethanol-water mixtures showed Newtonian behaviour up to about 99 % ethanol, with the highest...

  16. Liquid Water may Stick on Hydrophobic Surfaces

    Indian Academy of Sciences (India)

    IAS Admin

    The behavior of fluid on a solid surface under static and dynamic conditions are usually clubbed together. • On a wetting surface (hydrophilic), liquid water is believed to adhere to the surface causing multilayer sticking. • On a non-wetting surface (hydrophobic), water is believed to glide across the surface leading to slip ...

  17. Hydrophobic and hydrophilic control in polyphosphazene materials

    Science.gov (United States)

    Steely, Lee Brent

    This thesis is the culmination of several recent studies focused on the surface characterization of polyphosphazenes specifically the properties of water repellency or hydrophobicity. Chapter 1 is a background account of polyphosphazene chemistry and the hydrophobicity of polyphosphazenes. Chapter 2 provides an examination of the role of surface morphology on hydrophobicity. This study deals in depth with the electrospinning of poly[bis(2,2,2-trifluoroethoxy)phosphazene] in tetrahydrofuran. This process yields fiber mats or bead and fiber mats which exhibit roughness in continuous contact with the water droplet (fiber mats) or discontinuous contact (bead and fiber mats). These surface roughness types are compared to spun cast films using water contact angles to measure the air-water-polymer interface. The influence of aromatic moieties and fluorine content on the air-water-polymer interface is examined in Chapter 3. This study examines the influence of fluorine content and aryloxy groups on the hydrophobicity of a polyphosphazene surface via static water contact angle measurements on a goniometer. Polymer surfaces of spun cast and electrospun mats were probed with advancing, receeding, and static water contact angle and dip coated slides of the same materials were also examined with a Langmuir-Blogett trough. Chapter 4 is a description of the environmental plasma surface treatments of polyphosphazenes as a method of functionalizing solid polymer surfaces. The treatment procedure of functionalizing spun cast and electrospun poly[bis(2,2,2-trifluoroethoxy)phosphazene] surfaces with plasma gases of oxygen, nitrogen, methane, and tetrafluoromethane is detailed. The resulting functionalization of the surface is examined with XPS and water contact angle data. In Chapter 5 fluoroalkoxy polyphosphazenes were processed with liquid carbon dioxide into foams. The foams were then tested for flame retardance and hydrophobicity. Appendixes A-C contain studies on moisture

  18. Mapping Hydrophobicity on the Protein Molecular Surface at Atom-Level Resolution

    Science.gov (United States)

    Nicolau Jr., Dan V.; Paszek, Ewa; Fulga, Florin; Nicolau, Dan V.

    2014-01-01

    A precise representation of the spatial distribution of hydrophobicity, hydrophilicity and charges on the molecular surface of proteins is critical for the understanding of the interaction with small molecules and larger systems. The representation of hydrophobicity is rarely done at atom-level, as this property is generally assigned to residues. A new methodology for the derivation of atomic hydrophobicity from any amino acid-based hydrophobicity scale was used to derive 8 sets of atomic hydrophobicities, one of which was used to generate the molecular surfaces for 35 proteins with convex structures, 5 of which, i.e., lysozyme, ribonuclease, hemoglobin, albumin and IgG, have been analyzed in more detail. Sets of the molecular surfaces of the model proteins have been constructed using spherical probes with increasingly large radii, from 1.4 to 20 Å, followed by the quantification of (i) the surface hydrophobicity; (ii) their respective molecular surface areas, i.e., total, hydrophilic and hydrophobic area; and (iii) their relative densities, i.e., divided by the total molecular area; or specific densities, i.e., divided by property-specific area. Compared with the amino acid-based formalism, the atom-level description reveals molecular surfaces which (i) present an approximately two times more hydrophilic areas; with (ii) less extended, but between 2 to 5 times more intense hydrophilic patches; and (iii) 3 to 20 times more extended hydrophobic areas. The hydrophobic areas are also approximately 2 times more hydrophobicity-intense. This, more pronounced “leopard skin”-like, design of the protein molecular surface has been confirmed by comparing the results for a restricted set of homologous proteins, i.e., hemoglobins diverging by only one residue (Trp37). These results suggest that the representation of hydrophobicity on the protein molecular surfaces at atom-level resolution, coupled with the probing of the molecular surface at different geometric resolutions

  19. Surfactant Facilitated Spreading of Aqueous Drops on Hydrophobic Surfaces

    Science.gov (United States)

    Kumar, Nitin; Couzis, Alex; Maldareili, Charles; Singh, Bhim (Technical Monitor)

    2001-01-01

    Microgravity technologies often require aqueous phases to spread over nonwetting hydrophobic solid surfaces. Surfactants facilitate the wetting of water on hydrophobic surfaces by adsorbing on the water/air and hydrophobic solid/water interfaces and lowering the surface tensions of these interfaces. The tension reductions decrease the contact angle, which increases the equilibrium wetted area. Hydrocarbon surfactants; (i.e., amphiphiles with a hydrophobic moiety consisting of an extended chain of (aliphatic) methylene -CH2- groups attached to a large polar group to give aqueous solubility) are capable of reducing the contact angles on surfaces which are not very hydrophobic, but do not reduce significantly the contact angles of the very hydrophobic surfaces such as parafilm, polyethylene or self assembled monolayers. Trisiloxane surfactants (amphiphiles with a hydrophobe consisting of methyl groups linked to a trisiloxane backbone in the form of a disk ((CH3)3-Si-O-Si-O-Si(CH3)3) and an extended ethoxylate (-(OCH2CH2)a-) polar group in the form of a chain with four or eight units) can significantly reduce the contact angle of water on a very hydrophobic surface and cause rapid and complete (or nearly complete) spreading (termed superspreading). The overall goal of the research described in this proposal is to establish and verify a theory for how trisiloxanes cause superspreading, and then use this knowledge as a guide to developing more general hydrocarbon based surfactant systems which superspread. We propose that the trisiloxane surfactants superspread because their structure allows them to strongly lower the high hydrophobic solid/aqueous tension when they adsorb to the solid surface. When the siloxane adsorbs, the hydrophobic disk parts of the molecule adsorb onto the surface removing the surface water. Since the cross-sectional area of the disk is larger than that of the extended ethoxylate chain, the disks can form a space-filling mat on the surface which

  20. Photoinduced Change in the Charge Order Pattern in the Quarter-Filled Organic Conductor (EDO-TTF)2PF6 with a Strong Electron-Phonon Interaction

    Science.gov (United States)

    Onda, Ken; Ogihara, Sho; Yonemitsu, Kenji; Maeshima, Nobuya; Ishikawa, Tadahiko; Okimoto, Yoichi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Saito, Gunzi; Koshihara, Shin-Ya

    2008-08-01

    The quasistable state in the photoinduced phase transition for the quasi-one-dimensional quarter-filled organic conductor (EDO-TTF)2PF6 has been examined by ultrafast reflective measurements and time-dependent model calculations incorporating both electron-electron and electron-phonon interactions. The transient optical conductivity spectrum over a wide probe photon-energy range revealed that photoexcitation induced a new type of charge-disproportionate state. Additionally, coherent and incoherent oscillations dependent on probe photon energies were found, as predicted by the calculation.