Electron Capture Dissociation of Weakly Bound Polypeptide Polycationic Complexes
DEFF Research Database (Denmark)
Haselmann, Kim F; Jørgensen, Thomas J D; Budnik, Bogdan A;
2002-01-01
We have previously reported that, in electron capture dissociation (ECD), rupture of strong intramolecular bonds in weakly bound supramolecular aggregates can proceed without dissociation of weak intermolecular bonds. This is now illustrated on a series of non-specific peptide-peptide dimers...... as well as specific complexes of modified glycopeptide antibiotics with their target peptide. The weak nature of bonding is substantiated by blackbody infrared dissociation, low-energy collisional excitation and force-field simulations. The results are consistent with a non-ergodic ECD cleavage mechanism....
Infrared Spectrum of CO-O2, a 'new' Weakly-Bound Complex
McKellar, Bob; Barclay, A. J.; Michaelian, K. H.; Moazzen-Ahmadi, Nasser
2016-06-01
Only a few weakly-bound complexes containing the O2 molecule have been characterized by high-resolution spectroscopy, notably N2O-O2 [1] and HF-O2 [2]. This neglect is no doubt due in part to the complications added by the oxygen unpaired electron spin. Here we report an extensive infrared spectrum of CO-O2, as observed in the CO fundamental band region (˜2150 wn) using a tunable quantum cascade laser to probe a pulsed supersonic jet expansion. The derived energy level pattern consists of 'stacks' characterized by K, the projection of the total angular momentum on the intermolecular axis. Five such stacks are observed in the ground vibrational state, and ten in the excited state, v(CO) = 1. They are divided into two groups, with no observed transitions between groups, and we believe these groups correlate with the two lowest rotational states of O2, namely (N, J) = (1, 0) and (1, 2). In many ways, the spectrum and energy levels are similar to those of CO-N2 [3], and we use the same approach for analysis, simply fitting each stack with its own origin, B-value, and distortion constants. The rotational constant of the lowest stack in the ground state (with K = 0) implies an effective intermolecular separation of 3.82 Å, but this should be interpreted with caution since it ignores possible effects of electron spin. [1] H.-B. Qian, D. Seccombe, and B.J. Howard, J. Chem. Phys. 107, 7658 (1997). [2] W.M. Fawzy, C.M. Lovejoy, D.J. Nesbitt, and J.T. Hougen, J. Chem. Phys. 117, 693 (2002); S. Wu, G. Sedo, E.M. Grumstrup, and K.R. Leopold, J. Chem. Phys. 127, 204315 (2007). [3] M. Rezaei, K.H. Michaelian, N. Moazzen-Ahmadi, and A.R.W. McKellar, J. Phys. Chem. A 117, 13752 (2013), and references therein.
Medveď, Miroslav; Budzák, Šimon; Laurent, Adèle D; Jacquemin, Denis
2015-03-26
Direct (electronic) and indirect (geometrical) modifications of the molecular properties of weakly interacting complexes between the push-pull p-aminobenzoic acid (pABA) molecule and the nonpolar benzene (Bz) have been studied with a large panel of wave function (WF) and density functional theory (DFT) based methods using carefully selected atomic basis sets. For pABA, both the canonical (pABA-c) and zwitterionic (pABA-z) forms have been investigated. Owing to strongly distinct charge distributions, the two forms of pABA enable us to mimic different interaction modes with Bz. In this work, we assessed the performances of dispersion-corrected DFT methods, as well as of long-range corrected exchange-correlation functionals. It follows from the SAPT analysis that both the structure and the interaction energy of the first complex (pABA-c···Bz) is mainly controlled by dispersion interactions whereas, in the second complex (pABA-z···Bz), electrostatic and induction forces play also an important role. Our results suggest that the (non)linear electric properties of push-pull and zwitterionic molecules can be significantly reduced by the presence of a nonpolar compound. We also show that even for a complex with stability strongly determined by dispersion forces, the direct dispersion contributions to its electric properties can be small. Nevertheless, the intersystem distance is influenced by dispersion forces, which, in turn indirectly tune the induced properties. The zwitterionic derivative appears to be more challenging in the context of molecular properties.
Topic, Wendy C.; Jäger, Wolfgang
2005-08-01
Rotational spectra of the weakly bound He-HCCCN and He-DCCCN van der Waals complexes were observed using a pulsed-nozzle Fourier-transform microwave spectrometer in the 7-26-GHz frequency region. Nuclear quadrupole hyperfine structures due to the N14 and D nuclei (both with nuclear-spin quantum number I =1) were resolved and assigned. Both strong a and weaker b-type transitions were observed and the assigned transitions were used to fit the parameters of a distortable asymmetric rotor model. The dimers are floppy, near T-shaped complexes. Three intermolecular potential-energy surfaces were calculated using the coupled-cluster method with single and double excitations and noniterative inclusion of triple excitations. Bound-state rotational energy levels supported by these surfaces were determined. The quality of the potential-energy surfaces was assessed by comparing the experimental and calculated transition frequencies and also the corresponding spectroscopic parameters. Simple scaling of the surfaces improved both the transition frequencies and spectroscopic constants. Five other recently reported surfaces [O. Akin-Ojo, R. Bukowski, and K. Szalewicz, J. Chem. Phys. 119, 8379 (2003)], calculated using a variety of methods, and their agreement with spectroscopic properties of He-HCCCN are discussed.
A new millimeter-wave observation of the weakly bound CO-N2 complex
Surin, L. A.; Potapov, A.; Müller, H. S. P.; Schlemmer, S.
2015-01-01
New millimeter-wave transitions of the CO-N2 van der Waals complex have been observed using the intracavity OROTRON jet spectrometer in the frequency range of 103-159 GHz. For the less abundant form, CO-paraN2, a total of 37 rotational transitions were assigned to three K = 0-0, 0-1, 2-1 subbands connecting the (jCO, jN2) = (1, 1) and (jCO, jN2) = (0, 1) internal rotor states. The upper K = 0 and K = 2 "stacks" of rotational levels were probed for the first time here by millimeter-wave spectroscopy following a recent infrared study by Rezaei et al. (2013). The observation of new subbands fixes with higher precision not only these upper K = 0 and K = 2 but also lower K = 1(f) levels, not linked with other stacks in earlier rotational studies. For the more abundant form, CO-orthoN2, five new P-branch rotational transitions of the K = 0-0 "CO bending" subband are reported, thus extending previous measurements. Nuclear quadrupole hyperfine structure due to the presence of two equivalent 14N nuclei was partly resolved and analyzed to give additional information about the angular orientation of the N2 molecule in the complex.
Modelling excited states of weakly bound complexes with density functional theory.
Briggs, Edward A; Besley, Nicholas A
2014-07-28
The binding within the ethene-argon and formaldehyde-methane complexes in the ground and electronically excited states is studied with equation of motion coupled cluster theory (EOM-CCSD), second-order Møller-Plesset perturbation theory (MP2) and density functional theory with dispersion corrections (DFT-D). Electronically excited states are studied within MP2 and Kohn-Sham DFT formalisms by exploiting a procedure called the maximum overlap method that allows convergence of the relevant self-consistent field equations to higher energy (or excited state) solutions. Potential energy curves computed using MP2 are in good agreement with the EOM-CCSD calculations for both the valence and Rydberg excited states studied. For the DFT-D approach, B3LYP-D3/aug-cc-pVTZ calculations are found to be in agreement with EOM-CCSD for the ground and valence excited states. However, for the π3s Rydberg state of ethene-argon and the n3s Rydberg state of formaldehyde-methane significant deviation is observed, and this disagreement with EOM-CCSD is present for a variety of DFT-D based approaches. Variation of the parameters within the D2 dispersion correction results in closer agreement with EOM-CCSD for the Rydberg states but demonstrates that a different parameterisation from the ground state is required for these states. This indicates that time-dependent density functional theory calculations based upon a DFT-D reference may be satisfactory for excitations to valence states, but will potentially be inaccurate for excitations to Rydberg states, or more generally states where the nature of the electron density is significantly different from the ground state.
Energy Technology Data Exchange (ETDEWEB)
Roncaratti, L. F., E-mail: lz@fis.unb.br; Leal, L. A.; Silva, G. M. de [Instituto de Física, Universidade de Brasília, 70910 Brasília (Brazil); Pirani, F. [Dipartimento di Chimica, Biologia e Biotecnologie, Università di Perugia, 06123 Perugia (Italy); Aquilanti, V. [Dipartimento di Chimica, Biologia e Biotecnologie, Università di Perugia, 06123 Perugia (Italy); Instituto de Física, Universidade Federal da Bahia, 40210 Salvador (Brazil); Gargano, R. [Instituto de Física, Universidade de Brasília, 70910 Brasília (Brazil); Departments of Chemistry and Physics, University of Florida, Quantum Theory Project, Gainesville, Florida 32611 (United States)
2014-10-07
We consider the analytical representation of the potential energy surfaces of relevance for the intermolecular dynamics of weakly bound complexes of chiral molecules. In this paper we study the H{sub 2}O{sub 2}−Ng (Ng=He, Ne, Ar, Kr, and Xe) systems providing the radial and the angular dependence of the potential energy surface on the relative position of the Ng atom. We accomplish this by introducing an analytical representation which is able to fit the ab initio energies of these complexes in a wide range of geometries. Our analysis sheds light on the role that the enantiomeric forms and the symmetry of the H{sub 2}O{sub 2} molecule play on the resulting barriers and equilibrium geometries. The proposed theoretical framework is useful to study the dynamics of the H{sub 2}O{sub 2} molecule, or other systems involving O–O and S–S bonds, interacting by non-covalent forces with atoms or molecules and to understand how the relative orientation of the O–H bonds changes along collisional events that may lead to a hydrogen bond formation or even to selectivity in chemical reactions.
Collisional properties of weakly bound heteronuclear dimers
Marcelis, B.; Kokkelmans, S.J.J.M.F.; Shlyapnikov, G.V.; Petrov, D.S.
2008-01-01
We consider collisional properties of weakly bound heteronuclear molecules (dimers) formed in a two-species mixture of atoms with a large mass difference. We focus on dimers containing light fermionic atoms as they manifest collisional stability due to an effective dimer-dimer repulsion originating
Calabrese, Camilla; Vigorito, Annalisa; Maris, Assimo; Mariotti, Sergio; Fathi, Pantea; Geppert, Wolf D; Melandri, Sonia
2015-12-03
The weakly bound 1:1 complex between acrylonitrile (CH2═CHCN) and water has been characterized spectroscopically in the millimeter wave range (59.6-74.4 GHz) using a Free Jet Absorption Millimeter Wave spectrometer. Precise values of the rotational and quartic centrifugal distortion constants have been obtained from the measured frequencies of the normal and isotopically substituted water moiety (DOH, DOD, H(18)OH). Structural parameters have been estimated from the rotational constants and their differences among isotopologues: the complex has a planar structure with the two subunits held together by a O-H···N (2.331(3) Å) and a C-H···O (2.508(4) Å) interaction. The ab initio intermolecular binding energy, obtained at the counterpoise corrected MP2/aug-cc-pVTZ level of calculation, is De = 24.4 kJ mol(-1).
Weakly bound systems, continuum effects, and reactions
Jaganathen, Y; Ploszajczak, M
2012-01-01
Structure of weakly bound/unbound nuclei close to particle drip lines is different from that around the valley of beta stability. A comprehensive description of these systems goes beyond standard Shell Model and demands an open quantum system description of the nuclear many-body system. We approach this problem using the Gamow Shell Model which provides a fully microscopic description of bound and unbound nuclear states, nuclear decays, and reactions. We present in this paper the first application of the GSM for a description of the elastic and inelastic scattering of protons on 6He.
Jayalakshmi, V.; Rama Krishna, N.
2004-05-01
We describe an intensity-restrained optimization procedure for refining approximate structures of ligands within the protein binding pockets using STD-NMR intensity data on reversibly forming weak complexes. In this approach, the global minimum for the bound-ligand conformation is obtained by a hybrid structure refinement method involving CORCEMA calculation of intensities and simulated annealing optimization of torsion angles of the bound ligand using STD-NMR intensities as experimental constraints and the NOE R-factor as the pseudo-energy function to be minimized. This method is illustrated using simulated STD data sets for typical carbohydrate and peptide ligands. Our procedure also allows for the optimization of side chain torsion angles of protein residues within the binding pocket. This procedure is useful in refining and improving initial models based on crystallography or computer docking or other algorithms to generate models for the bound ligand (e.g., a lead compound) within the protein binding pocket compatible with solution STD-NMR data. This method may facilitate structure-based drug design efforts.
Infrared spectroscopy of weakly bound molecular ions
Energy Technology Data Exchange (ETDEWEB)
Yeh, Lisa I-Ching
1988-11-01
The infrared spectra of a series of hydrated hydronium cluster ions and of protonated ethane ion are presented. A tandem mass spectrometer is ideally suited to obtaining the spectra of such weakly bound molecular ions. Traditional absorption spectroscopy is not feasible in these situations, so the techniques described in this thesis make use of some consequence of photon absorption with higher sensitivity than simply attenuation of laser power. That consequence is dissociation. By first mass selecting the parent ion under study and then mass selecting the fragment ion formed from dissociation, the near unit detection efficiency of ion counting methods has been used to full advantage.
Energy Technology Data Exchange (ETDEWEB)
Trabelsi, T.; Ajili, Y.; Ben Yaghlane, S.; Jaidane, N.-E. [Laboratoire de Spectroscopie Atomique, Moléculaire et Applications–LSAMA, Université de Tunis El Manar, Tunis (Tunisia); Mogren Al-Mogren, M. [Chemistry Department, Faculty of Science, King Saud University, P.O. Box 2455, Riyadh 11451 (Saudi Arabia); Francisco, J. S. [Department of Chemistry and Department of Earth and Atmospheric Sciences, Purdue University, West Lafayette, Indiana 47906 (United States); Hochlaf, M., E-mail: hochlaf@univ-mlv.fr [Laboratoire Modélisation et Simulation Multi Echelle, Université Paris-Est, MSME UMR 8208 CNRS, 5 Blvd. Descartes, 77454 Marne-la-Vallée (France)
2015-07-21
We investigate the lowest electronic states of doublet and quartet spin multiplicity states of HNS{sup −} and HSN{sup −} together with their parent neutral triatomic molecules. Computations were performed using highly accurate ab initio methods with a large basis set. One-dimensional cuts of the full-dimensional potential energy surfaces (PESs) along the interatomic distances and bending angle are presented for each isomer. Results show that the ground anionic states are stable with respect to the electron detachment process and that the long range parts of the PESs correlating to the SH{sup −} + N, SN{sup −} + H, SN + H{sup −}, NH + S{sup −}, and NH{sup −} + S are bound. In addition, we predict the existence of long-lived weakly bound anionic complexes that can be formed after cold collisions between SN{sup −} and H or SH{sup −} and N. The implications for the reactivity of these species are discussed; specifically, it is shown that the reactions involving SH{sup −}, SN{sup −}, and NH{sup −} lead either to the formation of HNS{sup −} or HSN{sup −} in their electronic ground states or to autodetachment processes. Thus, providing an explanation for why the anions, SH{sup −}, SN{sup −}, and NH{sup −}, have limiting detectability in astrophysical media despite the observation of their corresponding neutral species. In a biological context, we suggest that HSN{sup −} and HNS{sup −} should be incorporated into H{sub 2}S-assisted heme-catalyzed reduction mechanism of nitrites in vivo.
Continuum Coupling and Pair Correlation in Weakly Bound Deformed Nuclei
Oba, Hiroshi
2009-01-01
We formulate a new Hartree-Fock-Bogoliubov method applicable to weakly bound deformed nuclei using the coordinate-space Green's function technique. An emphasis is put on treatment of quasiparticle states in the continuum, on which we impose the correct boundary condition of the asymptotic out-going wave. We illustrate this method with numerical examples.
Space-bounded communication complexity
DEFF Research Database (Denmark)
Brody, Joshua Eric; Chen, Shiteng; Papakonstantinou, Periklis A.
2013-01-01
In the past thirty years, Communication Complexity has emerged as a foundational tool to proving lower bounds in many areas of computer science. Its power comes from its generality, but this generality comes at a price---no superlinear communication lower bound is possible, since a player may...... communicate his entire input. However, what if the players are limited in their ability to recall parts of their interaction? We introduce memory models for 2-party communication complexity. Our general model is as follows: two computationally unrestricted players, Alice and Bob, each have s(n) bits of memory....... When a player receives a bit of communication, he "compresses" his state. This compression may be an arbitrary function of his current memory contents, his input, and the bit of communication just received; the only restriction is that the compression must return at most s(n) bits. We obtain memory...
Krchová, Tereza; Kotek, Jan; Jirák, Daniel; Havlíčková, Jana; Císařová, Ivana; Hermann, Petr
2013-11-28
2-Aminoethyl DOTA analogues with unsubstituted (H3L1), monomethylated (H3L2) and dimethylated (H3L3) amino groups were prepared by improved synthetic procedures. Their solid-state structures exhibit an extensive system of intramolecular hydrogen bonds, which is probably present in solution and leads to the rather high value of the last dissociation constant. The protonation sequence of H3L1 in solution corresponds to that found in the solid state. The stability constants of the H3L1 complexes with La(3+) and Gd(3+) (20.02 and 22.23, respectively) are similar to those of DO3A and the reduction of the pK(A) value of the pendant amino group from 10.51 in the free ligand to 6.06 and 5.83 in the La(3+) and Gd(3+) complexes, respectively, points to coordination of the amino group. It was confirmed in the solid state structure of the [Yb(L1)] complex, where disorder between the SA' and TSA' isomers was found. A similar situation is expected in solution, where a fast equilibration among the isomers hampers the unambiguous determination of the isomer ratio in solution. The PARACEST effect was observed in Eu(III)-H3L1/H3L2 and Yb(III)-H3L1/H3L2 complexes, being dependent on pH in the region of 4.5-7.5 and pH-independent in more alkaline solutions. The decrease of the PARACEST effect parallels with the increasing abundance of the complex protonated species, where the pendant amino group is not coordinating. Surprisingly, a small PARACEST effect was also observed in solutions of Eu(III)/Yb(III)-H3L3 complexes, where the pendant amino group is dimethylated. The effect is detectable in a narrow pH region, where both protonated and deprotonated complex species are present in equilibrium. The data points to the new mechanism of the PARACEST effect, where the slow coordination-decoordination of the pendant amine is coupled with the fast proton exchange between the free amino group and bulk water mediates the magnetization transfer. The pH-dependence of the effect was proved to be
Zinn, Sabrina; Betz, Thomas; Medcraft, Chris; Schnell, Melanie
2015-06-01
The rotational spectrum of trans-cinnamaldehyde ((2E)-3-phenylprop-2-enal) has been obtained with chirped-pulse microwave spectroscopy in the frequency range of 2 - 8.5 GHz. The odorant molecule is the essential component in cinnamon oil and causes the characteristic smell. In the measured high-resolution spectrum, we were able to assign the rotational spectra of two conformers of trans-cinnamaldehyde as well as all singly 13C-substituted species of the lowest-energy conformer in natural abundance. Two different methods were used to determine the structure from the rotational constants, which will be compared within this contribution. In addition, the current progress of studying ether-alcohol complexes, aiming at an improved understanding of the interplay between hydrogen bonding and dispersion interaction, will be reported. Here, a special focus is placed on the complexes of diphenylether with small aliphatic alcohols.
Weakly bound states with spin-isospin symmetry
Kievsky, A.; Gattobigio, M.
2016-03-01
We discuss weakly bound states of a few-fermion system having spin-isospin symmetry. This corresponds to the nuclear physics case in which the singlet, a0, and triplet, a1, n - p scattering lengths are large with respect to the range of the nuclear interaction. The ratio of the two is about a0/a1 ≈ -4.31. This value defines a plane in which a0 and a1 can be varied up to the unitary limit, 1/a0 = 0 and 1/a1 = 0, maintaining its ratio fixed. Using a spin dependant potential model we estimate the three-nucleon binding energy along that plane. This analysis can be considered an extension of the Efimov plot for three bosons to the case of three 1/2-spin-isospin fermions.
Weakly bound states with spin-isospin symmetry
Kievsky, A
2015-01-01
We discuss weakly bound states of a few-fermion system having spin-isospin symmetry. This corresponds to the nuclear physics case in which the singlet, $a_0$, and triplet, $a_1$, $n-p$ scattering lengths are large with respect to the range of the nuclear interaction. The ratio of the two is about $a_0/a_1\\approx-4.31$. This value defines a plane in which $a_0$ and $a_1$ can be varied up to the unitary limit, $1/a_0=0$ and $1/a_1=0$, maintaining its ratio fixed. Using a spin dependant potential model we estimate the three-nucleon binding energy along that plane. This analysis can be considered an extension of the Efimov plot for three bosons to the case of three $1/2$-spin-isospin fermions.
Weakly bound states with spin-isospin symmetry
Directory of Open Access Journals (Sweden)
Kievsky A.
2016-01-01
Full Text Available We discuss weakly bound states of a few-fermion system having spin-isospin symmetry. This corresponds to the nuclear physics case in which the singlet, a0, and triplet, a1, n − p scattering lengths are large with respect to the range of the nuclear interaction. The ratio of the two is about a0/a1 ≈ −4.31. This value defines a plane in which a0 and a1 can be varied up to the unitary limit, 1/a0 = 0 and 1/a1 = 0, maintaining its ratio fixed. Using a spin dependant potential model we estimate the three-nucleon binding energy along that plane. This analysis can be considered an extension of the Efimov plot for three bosons to the case of three 1/2-spin-isospin fermions.
Continuum discretized BCS approach for weakly bound nuclei
Lay, J A; Fortunato, L; Vitturi, A
2015-01-01
The Bardeen-Cooper-Schrieffer (BCS) formalism is extended by including the single-particle continuum, thus enabling the analysis of an isotopic chain from stability up to the drip line. We propose a continuum discretized generalized BCS based on single-particle pseudostates (PS). These PS are generated from the diagonalization of the single-particle Hamiltonian within a Transformed Harmonic Oscillator (THO) basis. The consistency of the results versus the size of the basis is studied. The method is applied to neutron rich Oxygen and Carbon isotopes and compared with similar previous works and available experimental data. We make use of the flexibility of the proposed model in order to study the evolution of the occupation of the low-energy continuum when the system becomes weakly bound. We find a larger influence of the non-resonant continuum as long as the Fermi level approaches zero.
The weak psuedoscalar coupling of the free and the bound protons
Energy Technology Data Exchange (ETDEWEB)
Gorringe, T.P. [Univ. of Kentucky, Lexington, KY (United States)
1995-10-01
The proton`s weak pseudoscalar coupling, g{sub p} is induced by the effects of its strong interaction on its weak interaction. In the Partially Conserved Axial Current hypothesis g{sub p} is due to single pion exchange between the leptonic and nucleonic currents in semi-leptonic weak processes. It predicts g{sub p} = 8.4 {plus_minus} 0.2 for the free proton but modifications of g{sub p}for the bound proton, due to modifications of the pion field of the bound proton, are possible. We will review the available data on g{sub p} for both the free and the bound proton. In the case of the free proton g{sub p} has been determined from measurements of ordinary (OMC) and radiative muon capture (RMC) on hydrogen. We will discuss the extraction of g{sub p} from the data, the importance of various {mu}-atomic and molecular processes in extracting g{sub p }and compare the results obtained from the OMC and RMC data and experiments in gaseous and liquid H{sub 2}. In the case of the bound proton we will discuss the measurements of ordinary and radiative {mu}{sup -} capture on complex nuclei and the extraction of g{sub p} from these data. The comparison of inclusive RMC and OMC rates on nuclei has led to speculations of a large enhancement of g{sub p} in light nuclei and a large quenching of g{sub p} in heavy nuclei. We will discuss the evidence for and against the renormalization, of g{sub p}in nuclei and the problems of extracting g{sub p} from the nuclear RMC and OMC data.
Quantum mechanical calculations on weakly interacting complexes
Heijmen, T.G.A.
1998-01-01
Symmetry-adapted perturbation theory (SAPT) has been applied to compute the intermolecular potential energy surfaces and the interaction-induced electrical properties of weakly interacting complexes. Asymptotic (large R) expressions have been derived for the contributions to the collision-induced pr
Far-Infrared Spectroscopy of Weakly Bound Hydrated Cluster Molecules
DEFF Research Database (Denmark)
Andersen, Jonas
-sized molecular clusters with water by means of far-infrared and terahertz neon matrix isolation spectroscopy. The embedding of non-covalent cluster molecules in solid cryogenic neon matrices at 2.8 K ensures a high sensitivity for direct spectroscopic observations of the large-amplitude intermolecular...... vibrational bands of the cluster molecules in the challenging far-infrared and terahertz spectral regions.A key parameter in the validation of the performance of theoretical predictions for weak non-covalent intermolecular interactions is the dissociation energy D0 that depends heavily on the class of large...
Bounds on the Capacity of Weakly constrained two-dimensional Codes
DEFF Research Database (Denmark)
Forchhammer, Søren
2002-01-01
Upper and lower bounds are presented for the capacity of weakly constrained two-dimensional codes. The maximum entropy is calculated for two simple models of 2-D codes constraining the probability of neighboring 1s as an example. For given models of the coded data, upper and lower bounds...
Weakly and strongly associated nonfreezable water bound in bones.
Turov, V V; Gun'ko, V M; Zarko, V I; Leboda, R; Jablonski, M; Gorzelak, M; Jagiello-Wojtowicz, E
2006-03-15
Water bound in bone of rat tail vertebrae was investigated by 1H NMR spectroscopy at 210-300 K and by the thermally stimulated depolarization current (TSDC) method at 190-265 K. The 1H NMR spectra of water clusters were calculated by the GIAO method with the B3LYP/6-31G(d,p) basis set, and the solvent effects were analyzed by the HF/SM5.45/6-31G(d) method. The 1H NMR spectra of water in bone tissue include two signals that can be assigned to typical water (chemical shift of proton resonance deltaH=4-5 ppm) and unusual water (deltaH=1.2-1.7 ppm). According to the quantum chemical calculations, the latter can be attributed to water molecules without the hydrogen bonds through the hydrogen atoms, e.g., interacting with hydrophobic environment. An increase in the amount of water in bone leads to an increase in the amount of typical water, which is characterized by higher associativity (i.e., a larger average number of hydrogen bonds per molecule) and fills larger pores, cavities and pockets in bone tissue.
Study of Exotic Weakly Bound Nuclei Using Magnetic Analyzer Mavr
Maslov, V. A.; Kazacha, V. I.; Kolesov, I. V.; Lukyanov, S. M.; Melnikov, V. N.; Osipov, N. F.; Penionzhkevich, Yu. E.; Skobelev, N. K.; Sobolev, Yu. G.; Voskoboinik, E. I.
2016-06-01
A project of the high-resolution magnetic analyzer MAVR is proposed. The analyzer will comprise new magnetic optical and detecting systems for separation and identification of reaction products in a wide range of masses (5-150) and charges (1-60). The magnetic optical system consists of the MSP-144 magnet and a doublet of quadrupole lenses. This will allow the solid angle of the spectrometer to be increased by an order of magnitude up to 30 msr. The magnetic analyzer will have a high momentum resolution (10-4) and high focal-plane dispersion (1.9 m). It will allow products of nuclear reactions at energies up to 30 MeV/nucleon to be detected with the charge resolution ∼1/60. Implementation of the project is divided into two stages: conversion of the magnetic analyzer proper and construction of the nuclear reaction products identification system. The MULTI detecting system is being developed for the MAVR magnetic analyzer to allow detection of nuclear reaction products and their identification by charge Q, atomic number Z, and mass A with a high absolute accuracy. The identification will be performed by measuring the energy loss (ΔE), time of flight (TOF), and total kinetic energy (TKE) of reaction products. The particle trajectories in the analyzer will also be determined using the drift chamber developed jointly with GANIL. The MAVR analyzer will operate in both primary beams of heavy ions and beams of radioactive nuclei produced by the U400 - U400M acceleration complex. It will also be used for measuring energy spectra of nuclear reaction products and as an energy monochromator.
Lower complexity bounds for lifted inference
DEFF Research Database (Denmark)
Jaeger, Manfred
2015-01-01
instances of the model. Numerous approaches for such “lifted inference” techniques have been proposed. While it has been demonstrated that these techniques will lead to significantly more efficient inference on some specific models, there are only very recent and still quite restricted results that show...... the feasibility of lifted inference on certain syntactically defined classes of models. Lower complexity bounds that imply some limitations for the feasibility of lifted inference on more expressive model classes were established earlier in Jaeger (2000; Jaeger, M. 2000. On the complexity of inference about...... that under the assumption that NETIME≠ETIME, there is no polynomial lifted inference algorithm for knowledge bases of weighted, quantifier-, and function-free formulas. Further strengthening earlier results, this is also shown to hold for approximate inference and for knowledge bases not containing...
Photoinitiated reactions in weakly bonded complexes
Energy Technology Data Exchange (ETDEWEB)
Wittig, C.
1993-05-01
This paper discusses photoinitiated reactions in weakly bonded binary complexes in which the constituents are only mildly perturbed by the intermolecular bond. Such complexes, with their large zero point excursions, set the stage for events that occur following electronic excitation of one of the constituents. This can take several forms, but in all cases, entrance channel specificity is imposed by the character of the complex as well as the nature of the photoinitiation process. This has enabled us to examine aspects of bimolecular processes: steric effects, chemical branching ratios, and inelastic scattering. Furthermore, monitoring reactions directly in the time domain can reveal mechanisms that cannot be inferred from measurements of nascent product excitations. Consequently, we examined several systems that had been studied previously by our group with product state resolution. With CO{sub 2}/HI, in which reaction occurs via a HOCO intermediate, the rates agree with RRKM predictions. With N{sub 2}O/HI, the gas phase single collision reaction yielding OH + N{sub 2} has been shown to proceed mainly via an HNNO intermediate that undergoes a 1,3-hydrogen shift to the OH + N{sub 2} channel. With complexes, ab initio calculations and high resolution spectroscopic studies of analogous systems suggest that the hydrogen, while highly delocalized, prefers the oxygen to the nitrogen. We observe that OH is produced with a fast risetime (< 250 fs) which can be attributed to either direct oxygen-side attack or rapid HNNO decomposition and/or a termolecular contribution involving the nearby iodine.
Weak Precompactness in the Space of Vector-Valued Measures of Bounded Variation
Directory of Open Access Journals (Sweden)
Ioana Ghenciu
2015-01-01
Full Text Available For a Banach space X and a measure space (Ω,Σ, let M(Ω,X be the space of all X-valued countably additive measures on (Ω,Σ of bounded variation, with the total variation norm. In this paper we give a characterization of weakly precompact subsets of M(Ω,X.
Weakly regular fluid flows with bounded variation on a Schwarzschild background
LeFloch, Philippe G
2015-01-01
We study the global dynamics of isothermal fluids evolving in the domain of outer communication of a Schwarzschild black hole. We first formulate the initial value problem within a class of weak solutions with bounded variation (BV), possibly containing shock waves. We then introduce a version of the random choice method and establish a global-in-time existence theory for the initial value problem within the proposed class of weakly regular fluid flows. The initial data may have arbitrary large bounded variation and can possibly blow up near the horizon of the black hole. Furthermore, we study the class of possibly discontinuous, equilibrium solutions and design a version of the random choice method in which these fluid equilibria are exactly preserved. This leads us to a nonlinear stability property for fluid equilibria under small perturbations with bounded variation. Furthermore, we can also encompass several limiting regimes (stiff matter, non-relativistic flows, extremal black hole) by letting the physic...
Bounds on Transient Instability for Complex Ecosystems
2016-01-01
Stability is a desirable property of complex ecosystems. If a community of interacting species is at a stable equilibrium point then it is able to withstand small perturbations to component species’ abundances without suffering adverse effects. In ecology, the Jacobian matrix evaluated at an equilibrium point is known as the community matrix, which describes the population dynamics of interacting species. A system’s asymptotic short- and long-term behaviour can be determined from eigenvalues derived from the community matrix. Here we use results from the theory of pseudospectra to describe intermediate, transient dynamics. We first recover the established result that the transition from stable to unstable dynamics includes a region of ‘transient instability’, where the effect of a small perturbation to species’ abundances—to the population vector—is amplified before ultimately decaying. Then we show that the shift from stability to transient instability can be affected by uncertainty in, or small changes to, entries in the community matrix, and determine lower and upper bounds to the maximum amplitude of perturbations to the population vector. Of five different types of community matrix, we find that amplification is least severe when predator-prey interactions dominate. This analysis is relevant to other systems whose dynamics can be expressed in terms of the Jacobian matrix. PMID:27327511
Bounds for Bilinear Complexity of Noncommutative Group Algebras
Pospelov, Alexey
2010-01-01
We study the complexity of multiplication in noncommutative group algebras which is closely related to the complexity of matrix multiplication. We characterize such semisimple group algebras of the minimal bilinear complexity and show nontrivial lower bounds for the rest of the group algebras. These lower bounds are built on the top of Bl\\"aser's results for semisimple algebras and algebras with large radical and the lower bound for arbitrary associative algebras due to Alder and Strassen. We also show subquadratic upper bounds for all group algebras turning into "almost linear" provided the exponent of matrix multiplication equals 2.
Exotic Behaviour of Angular Dispersion of Weakly Bound Nucleus 17F at Small Angles
Institute of Scientific and Technical Information of China (English)
WANG Qi; YUAN Xiao-Hua; XU Zhi-Guo; ZHAO Tie-Cheng; ZHANG Hong-Bin; XU Hua-Gen; QI Hui-Rong; WANG Yue; JIA Fei; WU Li-Jie; DING Xian-Li; HAN Jian-Long; GAO Qi; GAO Hui; LI Song-Lin; BAI Zhen; XIAO Guo-Qing; JIN Gen-Ming; REN Zhong-Zhou; ZHOU Shan-Gui; SERGEY Yu-Kun; XIAO Zhi-Gang; XU Hu-Shan; SUN Zhi-Yu; HU Zheng-Guo; ZHANG Xue-Ying; WANG Hong-Wei; MAO Rui-Shi
2006-01-01
@@ The differential cross sections of 17 F and 17 O elastic scattering products on 208Pb have been measured at the Radioactive Ion Beam Line at Lanzhou (RIBLL). Two angular dispersion plots ofln( dσ/ dθ ) versus θ2 are obtained from the angular distribution of the elastic scattering differential cross sections. The angular dispersion plot exhibits a clear turning point for 17F in the range of small scattering angles 6°-20° due to its exotic structure,but for 17 O, the turning point is not observed in the same angular range. The experimental results have been compared with previous data of other groups. Systematical analysis on the available data supports the above conclusion that there is an exotic behaviour of the angular dispersion plot of weakly bound nuclei with halo or skin structure as compared with that of the ordinary nuclei near stable line. Therefore the turning point of the angular dispersion plot appears at small angle for weakly bound nuclei with halo or skin structure, and can be used as a new probe to investigate the halo and skin phenomena of weakly bound nuclei.
Approaching the Cramer-Rao Bound in Weak Lensing with PDF Symmetrization
Zhang, Jun
2016-01-01
Weak lensing statistics is typically measured as weighted sum of shear estimators or their products (shear-shear correlation). The weighting schemes are designed in the hope of minimizing the statistical error without introducing systematic errors. It would be ideal to approach the Cramer-Rao bound (the lower bound of the statistical uncertainty) in shear statistics, though it is generally difficult to do so in practice. The reasons may include: difficulties in galaxy shape measurement, inaccurate knowledge of the probability-distribution-function (PDF) of the shear estimator, misidentification of point sources as galaxies, etc.. Using the shear estimators defined in Zhang et al. (2015), we show that one can overcome all these problems, and allow shear measurement accuracy to approach the Cramer-Rao bound. This can be achieved by symmetrizing the PDF of the shear estimator, or the joint PDF of shear estimator pairs (for shear-shear correlation), without any prior knowledge of the PDF. Using simulated galaxy i...
Short-lived two-soliton bound states in weakly perturbed nonlinear Schrodinger equation.
Dmitriev, Sergey V.; Shigenari, Takeshi
2002-06-01
Resonant soliton collisions in the weakly discrete nonlinear Schrodinger equation are studied numerically. The fractal nature of the soliton scattering, described in our previous works, is investigated in detail. We demonstrate that the fractal scattering pattern is related to the existence of the short-lived two-soliton bound states. The bound state can be regarded as a two-soliton quasiparticle of a new type, different from the breather. We establish that the probability P of a bound state with the lifetime L follows the law P approximately L(-3). In the frame of a simple two-particle model, we derive the nonlinear map, which generates the fractal pattern similar to that observed in the numerical study of soliton collisions. (c) 2002 American Institute of Physics.
The lower bound on complexity of parallel branch-and-bound algorithm for subset sum problem
Kolpakov, Roman; Posypkin, Mikhail
2016-10-01
The subset sum problem is a particular case of the Boolean knapsack problem where each item has the price equal to its weight. This problem can be informally stated as searching for most dense packing of a set of items into a box with limited capacity. Recently, coarse-grain parallelization approaches to Branch-and-Bound (B&B) method attracted some attention due to the growing popularity of weakly-connected distributed computing platforms. In this paper we consider one of such approaches for solving the subset sum problem. One of the processors (manager) performs some number of B&B steps on the first stage with generating some subproblems. On the second stage, the generated subproblems are sent to other processors, one subproblem per processor. The processors solve completely the received subproblems, the manager collects all the obtained solutions and chooses the optimal one. For this algorithm we formally define the parallel execution model (frontal scheme of parallelization) and the notion of the frontal scheme complexity. We study the frontal scheme complexity for a series of subset sum problems.
Complexity Considerations, cSAT Lower Bound
Hofman, Radoslaw
2007-01-01
This article discusses completeness of Boolean Algebra as First Order Theory in Goedel's meaning. If Theory is complete then any possible transformation is equivalent to some transformation using axioms, predicates etc. defined for this theory. If formula is to be proved (or disproved) then it has to be reduced to axioms. If every transformation is deducible then also optimal transformation is deducible. If every transformation is exponential then optimal one is too, what allows to define lower bound for discussed problem to be exponential (outside P). Then we show algorithm for NDTM solving the same problem in O(n^c) (so problem is in NP), what proves that P \
Role of nuclear couplings in the inelastic excitation of weakly-bound neutron-rich nuclei
Energy Technology Data Exchange (ETDEWEB)
Dasso, C.H. [Niels Bohr Institute, Copenhagen (Denmark); Lenzi, S.M.; Vitturi, A. [Universita di Padova (Italy)
1996-12-31
Much effort is presently devoted to the study of nuclear systems far from the stability line. Particular emphasis has been placed in light systems such as {sup 11}Li, {sup 8}B and others, where the very small binding energy of the last particles causes their density distribution to extend considerably outside of the remaining nuclear core. Some of the properties associated with this feature are expected to characterize also heavier systems in the vicinity of the proton or neutron drip lines. It is by now well established that low-lying concentrations of multipole strength arise from pure configurations in which a peculiar matching between the wavelength of the continuum wavefunction of the particles and the range of the weakly-bound hole states occurs. To this end the authors consider the break-up of a weakly-bound system in a heavy-ion collision and focus attention in the inelastic excitation of the low-lying part of the continuum. They make use of the fact that previous investigations have shown that the multipole response in this region is not of a collective nature and describe their excited states as pure particle-hole configurations. Since the relevant parameter determining the strength distributions is the binding energy of the last bound orbital they find it most convenient to use single-particle wavefunctions generated by a sperical square-well potential with characteristic nuclear dimensions and whose depth has been adjusted to give rise to a situation in which the last occupied neutron orbital is loosely-bound. Spin-orbit couplings are, for the present purpose, ignored. The results of this investigation clearly indicate that nuclear couplings have the predominant role in causing projectile dissociation in many circumstances, even at bombarding energies remarkably below the Coulomb barrier.
Recent Results on Fusion and Direct Reactions with Weakly Bound Stable Nuclei
Directory of Open Access Journals (Sweden)
Shrivastava A.
2011-10-01
Full Text Available Recent measurements of fusion and direct reactions in case of weakly bound stable nuclei at extreme sub-barrier energies using a sensitive off beam technique are presented. Deviation in slope of the fusion excitation function, as observed in case of medium heavy systems, is absent in the present asymmetric systems at these low energies. These results along with the study of capture reaction of the breakup fragments using particle- gamma coincidences is presented, thereby giving the current status of the ﬁeld.
Breakup Effect of Weakly Bound Projectile on the Barrier Distribution Around Coulomb Barrier
Institute of Scientific and Technical Information of China (English)
贾会明; 林承键; 张焕乔; 刘祖华; 喻宁; 杨峰; 徐新星; 贾飞; 吴振东; 张世涛
2012-01-01
The excitation function of quasi-elastic （QEL） scattering at a backward angle has been measured for 9^Be＋208^Pb. The barrier distribution was extracted by means of the first derivative of the measured excitation function and calculated with the coupled-channel model. The present work shows that the experimental barrier distribution extracted from QEL scattering is shifted to the low energy side by 1.5 MeV as compared with the theoretical one. This energy discrepancy indicates that breakup is important in the colliding processes of the weakly bound nucleus system.
A weakly monotonic backward induction algorithm on finite bounded subsets of vector lattices
Dragut, A. B.
2004-03-01
We present a new efficient and robust backward induction algorithm, which is weakly monotonic, working on bounded subsets without holes of lattices. We prove all its properties, give examples of applications, and illustrate its behavior, comparing it with the natural extension of the unidimensional algorithm presented in Puterman (Markov Decision Processes: Discrete Stochastic Dynamic Programming, Wiley, New York, 1994), in the sense of Topkis (Frontiers of Economic Research Series, Princeton University Press, Princeton, NJ, 1998) and White (Recent Developments in Markov Decision Processes, Academic Press, New York, 1980, 261) and showing, also experimentally, that it is much more efficient.
Control of Optical Transitions with Magnetic Fields in Weakly Bound Molecules
McGuyer, B H; Iwata, G Z; Skomorowski, W; Moszynski, R; Zelevinsky, T
2015-01-01
Forbidden optical transitions in weakly bound $^{88}$Sr$_2$ molecules become strongly enabled with moderate applied magnetic fields. We report the control of transition strengths by five orders of magnitude and measurements of highly nonlinear Zeeman shifts, which we explain with an accurate {\\it ab initio} model. Mixed quantization in an optical lattice enables the experimental procedure. Our observation of formerly inaccessible $f$-parity excited states offers a new avenue for improving theoretical models for divalent atom dimers. Furthermore, magnetically enabled transitions may lead to an extremely precise subradiant molecular lattice clock.
Cook, K J; Luong, D H; Kalkal, Sunil; Dasgupta, M; Hinde, D J
2016-01-01
Complete fusion cross sections in collisions of light, weakly bound nuclei and high Z targets show above-barrier suppression of complete fusion. This has been interpreted as resulting from breakup of the weakly bound nucleus prior to reaching the fusion barrier, reducing the probability of complete fusion. This paper investigates how these conclusions are affected by lifetimes of the resonant states that are populated prior to breakup. If the mean life of a populated resonance is much longer than the fusion timescale, then its breakup cannot suppress complete fusion. For short-lived resonances, the situation is more complex. This work includes the mean life of the short-lived 2+ resonance in 8Be in classical dynamical model calculations to determine its effect on energy and angular correlations of the breakup fragments and on predictions of fusion suppression. Coincidence measurements of breakup fragments produced in reactions of 9Be with 144Sm, 168Er, 186W, 196Pt, 208Pb and 209Bi at energies below the barrie...
Classical simulations of heavy-ion fusion reactions and weakly-bound projectile breakup reactions
Indian Academy of Sciences (India)
S S Godre
2014-05-01
Heavy-ion collision simulations in various classical models are discussed. Heavy-ion reactions with spherical and deformed nuclei are simulated in a classical rigid-body dynamics (CRBD) model which takes into account the reorientation of the deformed projectile. It is found that the barrier parameters depend not only on the initial orientations of the deformed nucleus, but also on the collision energy and the moment of inertia of the deformed nucleus. Maximum reorientation effect occurs at near- and below-barrier energies for light deformed nuclei. Calculated fusion crosssections for 24Mg + 208Pb reaction are compared with a static-barrier-penetration model (SBPM) calculation to see the effect of reorientation. Heavy-ion reactions are also simulated in a 3-stage classical molecular dynamics (3S-CMD) model in which the rigid-body constraints are relaxed when the two nuclei are close to the barrier thus, taking into account all the rotational and vibrational degrees of freedom in the same calculation. This model is extended to simulate heavy-ion reactions such as 6Li + 209Bi involving the weakly-bound projectile considered as a weakly-bound cluster of deuteron and 4He nuclei, thus, simulating a 3-body system in 3S-CMD model. All the essential features of breakup reactions, such as complete fusion, incomplete fusion, no-capture breakup and scattering are demonstrated.
Interplay of projectile breakup and target excitation in reactions induced by weakly bound nuclei
Gómez-Ramos, M.; Moro, A. M.
2017-03-01
Background: Reactions involving weakly bound nuclei require formalisms able to deal with continuum states. The majority of these formalisms struggle to treat collective excitations of the systems involved. For continuum-discretized coupled channels (CDCC), extensions to include target excitation have been developed but have only been applied to a small number of cases. Purpose: In this work, we reexamine the extension of the CDCC formalism to include target excitation and apply it to a variety of reactions to study the effect of breakup on inelastic cross sections. Methods: We use a transformed oscillator basis to discretize the continuum of the projectiles in the different reactions and use the extended CDCC method developed in this work to solve the resulting coupled differential equations. A new code has been developed to perform the calculations. Results: Reactions 58Ni(d ,d )*58Ni , 24Mg(d ,d )*24Mg , 144Sm(6Li,6Li)*144Sm , and 9Be(6Li,6Li)*9Be are studied. Satisfactory agreement is found between experimental data and extended CDCC calculations. Conclusions: The studied CDCC method has proven to be an accurate tool to describe target excitation in reactions with weakly bound nuclei. Moderate effects of breakup on inelastic observables are found for the reactions studied. Cross-section magnitudes are not modified much, but angular distributions present smoothing when opposed to calculations without breakup.
COMPLEXITY OF LARGE TIME BEHAVIOUR OFEVOLUTION EQUATIONS WITH BOUNDED DATA
Institute of Scientific and Technical Information of China (English)
无
2002-01-01
The authors study the asymptotic behaviour of solutions of the heat equation and a number of evolution equations using scaling techniques. It is proved that in the framework of bounded data stabilization need not occur and the general asymptotic behaviour is complex. This behaviour reflects for large times,even on compact sets,the complexity of the initial data at infinity.
Evolution of Surface Deformations of Weakly-Bound Nuclei in the Continuum
Pei, J C; Xu, F R
2013-01-01
We study weakly-bound deformed nuclei based on coordinate-space Skyrme Hartree-Fock-Bogoliubov approach , in which a large box is employed for treating the continuum and surface diffuseness. Approaching the limit of core-halo deformation decoupling, calculations found an exotic "egg"-like structure consisting of a spherical core plus a prolate halo in $^{38}$Ne, in which the resonant continuum plays an essential role. Generally the halo probability and the decoupling effect in heavy nuclei are reduced compared to light nuclei, due to denser level densities around Fermi surfaces. However, deformed halos in medium-mass nuclei are possible with sparse levels of negative parity, for example, in $^{110}$Ge. The surface deformations of pairing density distributions are also influenced by the decoupling effect and are sensitive to the effective pairing Hamiltonian.
Directory of Open Access Journals (Sweden)
Sukjung Hwang
2015-11-01
Full Text Available Here we generalize quasilinear parabolic p-Laplacian type equations to obtain the prototype equation $$ u_t - \\hbox{div} \\Big(\\frac{g(|Du|}{|Du|} Du\\Big = 0, $$ where g is a nonnegative, increasing, and continuous function trapped in between two power functions $|Du|^{g_0 -1}$ and $|Du|^{g_1 -1}$ with $1
Structure Effects in Collisions Induced by Halo and Weakly Bound Nuclei Around the Coulomb Barrier
Scuderi, V; Torresi, D; Fisichella, M; Borge, M J G; Randisi, G; Milin, M; Figuera, P; Raabe, R; Di Pietro, A; Amorini, F; Fraile, L M; Vidal, A M; Rizzo, F; Zadro, M; Gomez-Camacho, J; Pellegriti, M G; Papa, M; Jeppesen, H; Santonocito, D; Sanchez, E M R; Acosta, L; Tengblad, O; Lattuada, M; Musumarra, A; Scalia, G
2010-01-01
In this contribution, results concerning different reaction channels for the collisions induced by the three Be isotopes, Be-9,Be-10,Be-11, on a Zn-64 target at energies around the Coulomb barrier will be presented. The experiments with the radioactive Be-10,Be-11 beams were performed at REX-ISOLDE (CERN) whereas the experiment with the stable weakly bound Be-9 beam was performed at LNS Catania. Elastic scattering angular distributions have been measured for the three systems Be-9,Be-10,Be-11 + Zn-64 at the same center of mass energy. The angular distributions were analyzed with optical potentials and reaction cross sections were obtained from optical model calculations, performed with the code PTOLEMY. For the Be-11 + Zn-64 reaction, the break-up angular distribution was also measured.
Confidence bounds of recurrence-based complexity measures
Energy Technology Data Exchange (ETDEWEB)
Schinkel, Stefan [Interdisciplinary Centre for Dynamics of Complex Systems, University of Potsdam (Germany)], E-mail: schinkel@agnld.uni-potsdam.de; Marwan, N. [Interdisciplinary Centre for Dynamics of Complex Systems, University of Potsdam (Germany); Potsdam Institute for Climate Impact Research (PIK) (Germany); Dimigen, O. [Department of Psychology, University of Potsdam (Germany); Kurths, J. [Potsdam Institute for Climate Impact Research (PIK) (Germany); Department of Physics, Humboldt University at Berlin (Germany)
2009-06-15
In the recent past, recurrence quantification analysis (RQA) has gained an increasing interest in various research areas. The complexity measures the RQA provides have been useful in describing and analysing a broad range of data. It is known to be rather robust to noise and nonstationarities. Yet, one key question in empirical research concerns the confidence bounds of measured data. In the present Letter we suggest a method for estimating the confidence bounds of recurrence-based complexity measures. We study the applicability of the suggested method with model and real-life data.
Bloch spaces on bounded symmetric domains in complex Banach spaces
Institute of Scientific and Technical Information of China (English)
DENG; Fangwen
2006-01-01
We give a definition of Bloch space on bounded symmetric domains in arbitrary complex Banach space and prove such function space is a Banach space. The properties such as boundedness, compactness and closed range of composition operators on such Bloch space are studied.
SILICA-BOUND CROWN ETHERS PLATINUM COMPLEX AS HYDROSILYLATION CATALYST
Institute of Scientific and Technical Information of China (English)
CHEN Yuanyin; MENG Lingzhi; LI Liping; LUO Jieqi; HU Jinchang
1993-01-01
Silica-bound 15-Crown-5, 18-Crown-6 with a spacer of propyloxymethyl and their platinum complexes have been synthesized. It was found that they were efficient catalysts for the hydrosilylation of olefins with triethoxysilane in the temperature range of 60 to 130 ℃ .
Universality of weakly bound dimers and Efimov trimers close to Li-Cs Feshbach resonances
Ulmanis, J.; Häfner, S.; Pires, R.; Kuhnle, E. D.; Weidemüller, M.; Tiemann, E.
2015-05-01
We study the interspecies scattering properties of ultracold Li-Cs mixtures in their two energetically lowest spin channels in the magnetic field range between 800 and 1000 G. Close to two broad Feshbach resonances (FR) we create weakly bound LiCs dimers by radio-frequency association and measure the dependence of their binding energy on the external magnetic field strength. Based on the binding energies and complementary atom loss spectroscopy of three other Li-Cs s-wave FRs we construct precise molecular singlet and triplet electronic ground state potentials using a coupled-channels calculation. We extract the Li-Cs interspecies scattering length as a function of the external field and obtain almost a ten-fold improvement in the precision of the values for the pole positions and widths of the s-wave FRs as compared to our previous work (Pires et al 2014 Phys. Rev. Lett. 112 250404). We discuss implications on the Efimov scenario and the universal geometric scaling for LiCsCs trimers.
Interplay of projectile breakup and target excitation in reactions induced by weakly-bound nuclei
Gomez-Ramos, M
2016-01-01
In this work, we reexamine the extension of the CDCC formalism to include target excitation and apply it to a variety of reactions to study the effect of breakup on inelastic cross sections. We use a transformed oscillator basis to discretize the continuum of the projectiles in the different reactions and use the extended CDCC method developed in this work to solve the resulting coupled differential equations. A new code has been developed to perform the calculations. Reactions 58Ni(d, d) 58Ni*, 24Mg(d, d) 24Mg* , 144Sm( 6Li, 6Li) 144Sm* and 9Be( 6Li, 6Li) 9Be* are studied. Satisfactory agreement is found between experimental data and extended CDCC calculations. The studied CDCC method is proved to be an accurate tool to describe target excitation in reactions with weakly-bound nuclei. Moderate effects of breakup on inelastic observables are found for the reactions studied. Cross section magnitudes are not modified much, but angular distributions present smoothing when opposed to calculations without breakup.
Hyperaccretion during Tidal Disruption Events: Weakly Bound Debris Envelopes and Jets
Coughlin, Eric R.; Begelman, Mitchell C.
2014-02-01
After the destruction of the star during a tidal disruption event (TDE), the cataclysmic encounter between a star and the supermassive black hole (SMBH) of a galaxy, approximately half of the original stellar debris falls back onto the hole at a rate that can initially exceed the Eddington limit by orders of magnitude. We argue that the angular momentum of this matter is too low to allow it to attain a disk-like configuration with accretion proceeding at a mildly super-Eddington rate, the excess energy being carried away by a combination of radiative losses and radially distributed winds. Instead, we propose that the infalling gas traps accretion energy until it inflates into a weakly bound, quasi-spherical structure with gas extending nearly to the poles. We study the structure and evolution of such "zero-Bernoulli accretion" flows as a model for the super-Eddington phase of TDEs. We argue that such flows cannot stop extremely super-Eddington accretion from occurring, and that once the envelope is maximally inflated, any excess accretion energy escapes through the poles in the form of powerful jets. We compare the predictions of our model to Swift J1644+57, the putative super-Eddington TDE, and show that it can qualitatively reproduce some of its observed features. Similar models, including self-gravity, could be applicable to gamma-ray bursts from collapsars and the growth of SMBH seeds inside quasi-stars.
Hyperaccretion during tidal disruption events: weakly bound debris envelopes and jets
Coughlin, Eric R
2013-01-01
After the destruction of the star during a tidal disruption event (TDE), the cataclysmic encounter between a star and the supermassive black hole (SMBH) of a galaxy, approximately half of the original stellar debris falls back onto the hole at a rate that can initially exceed the Eddington limit by orders of magnitude. We argue that the angular momentum of this matter is too low to allow it to attain a disk-like configuration with accretion proceeding at a mildly super-Eddington rate, the excess energy being carried away by a combination of radiative losses and radially distributed winds. Instead, we propose that the infalling gas traps accretion energy until it inflates into a weakly-bound, quasi-spherical structure with gas extending nearly to the poles. We study the structure and evolution of such "Zero-Bernoulli accretion" flows (ZEBRAs) as a model for the super-Eddington phase of TDEs. We argue that such flows cannot stop extremely super-Eddington accretion from occurring, and that once the envelope is m...
Photodissociation dynamics of weakly bound He H2 + in intense light fields
Szidarovszky, Tamás; Yamanouchi, Kaoru
2016-12-01
Photoinduced dynamics of a weakly bound triatomic molecule He H2 + exposed to electromagnetic radiation is investigated by time-dependent quantum wave-packet propagation. Adopting a two-dimensional linear H-H-He model, the three lowest-lying potential energy surfaces (PESs) and corresponding dipole moment surfaces are constructed. One of the two characteristic excited PESs of He H2 + leads to the charge-transfer reaction H2 ++He → H2+H e+ and the other corresponds to the first excited state of H2 + perturbed by the presence of He. When He H2 + is exposed to a femtosecond intense ultraviolet light pulse (I =4 ×1014W c m-2 , λ =400 nm ), both of the two excited PESs are found to be coupled with the light field and a variety of reaction pathways become opened so that HeH, He H+ , H2, H2 +,H , H+ , He, and H e+ are produced. Simulations also show that the anharmonic coupling between the two stretching vibrational modes in He H2 + leads to the stabilization of the H2 + moiety against the decomposition into H + H+ compared with bare H2 +. The theoretical findings of the formation of He H+ composed of the most abundant elements in the universe are also discussed in view of the theoretical modeling of the chemical reactions proceeding in the primordial gas and in the interstellar medium.
Bioavailability and Electroreactivity of Zinc Complexed to Strong and Weak Organic Ligands.
Kim, Ja-Myung; Baars, Oliver; Morel, François M M
2015-09-15
Laboratory experiments have established the importance of complexation by organic ligands in determining the bioavailability of trace metals to marine phytoplankton, while electrochemical measurements with field samples have demonstrated that a large fraction of bioactive trace metals are complexed to strong organic ligands in seawater. Using the model organic ligands, EDTA and histidine, we show a quantitative correspondence between the bioavailability of Zn to the diatom Thalassiosira weissflogii, and its reduction at -1.2 V (vs Ag/AgCl) on a hanging mercury drop electrode. Equilibrium calculations and polarographic data indicate that Zn bound in inorganic complexes and the 1:1 Zn-histidine complex, but not in the 1:2 Zn-histidine complex or the Zn-EDTA complexes, is taken up by the organism and reduced at the electrode surface, confirming a previous report of the bioavailability of weak Zn complexes. Electrochemical measurements of Zn speciation in seawater do not generally reveal the presence of weak (and potentially bioavailable) complexes; but such measurements (particularly by Anodic Stripping Voltammetry) should nonetheless often provide good estimates of the bioavailable Zn concentrations. These results can likely be generalized to other bioactive divalent trace metals.
Zou, Luyao; Hays, Brian M; Weaver, Susanna L Widicus
2016-02-11
The emergence of chemical complexity during star and planet formation is largely guided by the chemistry of unstable molecules that are reaction intermediates in terrestrial chemistry. Our knowledge of these intermediates is limited by both the lack of laboratory studies and the difficulty in their astronomical detection. In this work, we focus on the weakly bound cluster HO3 as an example of the connection between laboratory spectroscopic study and astronomical observations. Here, we present a fast-sweep spectroscopic technique in the millimeter and submillimeter range to facilitate the laboratory search for trans-HO3 and DO3 transitions in a discharge supersonic jet and report their rotational spectra from 70 to 450 GHz. These new measurements enable full determination of the molecular constants of HO3 and DO3. We also present a preliminary search for trans-HO3 in 32 star-forming regions using this new spectroscopic information. HO3 is not detected, and column density upper limits are reported. This work provides additional benchmark information for computational studies of this intriguing radical, as well as a reliable set of molecular constants for extrapolation of the transition frequencies of HO3 for future astronomical observations.
Complex of myoglobin with phenol bound in a proximal cavity.
Huang, Xiao; Wang, Chunxue; Celeste, Lesa R; Lovelace, Leslie L; Sun, Shenfang; Dawson, John H; Lebioda, Lukasz
2012-12-01
Sperm whale myoglobin (Mb) has weak dehaloperoxidase activity and catalyzes the peroxidative dehalogenation of 2,4,6-trichlorophenol (TCP) to 2,6-dichloroquinone. Crystals of Mb and of its more active G65T variant were used to study the binding of TCP, 4-iodophenol (4-IP) and phenol. The structures of crystals soaked overnight in a 10 mM solution of phenol revealed that a phenol molecule binds in the proximal cavity, forming a hydrogen bond to the hydroxyl of Tyr146 and hydrophobic contacts which include interactions with Cβ and Cγ of the proximal histidine His93. The phenol position corresponds to the strongest xenon binding site, Xe1. It appears that the ligand enters the proximal cavity through a gate formed by the flexible loops 79-86 and 93-103. TCP and 4-IP do not bind to Mb in this manner under similar conditions; however, it appears to be likely that dimethyl sulfoxide (DMSO), which was used at a concentration of 0.8 M to facilitate 4-IP dissolution, binds in the phenol/Xe1 binding site. In this structure, a water molecule coordinated to the heme iron was replaced by an oxygen molecule, reflecting the reduction of the heme. Crystals of Mb and G65T Mb soaked for 5-10 min did not show bound phenol. Kinetic studies of TCP dechlorination showed that phenol has a dual effect: it acts as a competitive inhibitor that is likely to interfere with TCP binding at the heme edge and as a weak activator, likely through binding in the proximal cavity. The lack of phenol bound at the heme edge in the crystal structures suggests that its inhibitory binding only takes place when the heme is activated by hydrogen peroxide.
Keswani, Neelam; Choudhary, Sinjan; Kishore, Nand
2010-07-01
The thermodynamics of interaction of neomycin and lincomycin with bovine serum albumin (BSA) and human serum albumin (HSA) has been studied using isothermal titration calorimetry (ITC), in combination with UV-visible, steady state and time resolved fluorescence spectroscopic measurements. Neomycin is observed to bind weakly to BSA and HSA whereas lincomycin did not show any evidence for binding with the native state of these proteins, rather it interacts in the presence of surfactants. The ITC results suggest 1 : 1 binding stoichiometry for neomycin in the studied temperature range. The values of the van't Hoff enthalpy do not agree with the calorimetric enthalpy in the case of neomycin, suggesting conformational changes in the protein upon ligand binding, as well as with the rise in the temperature. Experiments at different ionic strengths, and in the presence of tetrabutyl ammonium bromide and surfactants suggest the predominant involvement of electrostatic interactions in the complexation process of neomycin with BSA and HSA, and non-specific interaction behaviour of lincomycin with these proteins.
Regularity of weak solutions to the Landau-Lifshitz system in bounded regular domains
Directory of Open Access Journals (Sweden)
Kevin Santugini-Repiquet
2007-10-01
Full Text Available In this paper, we study the regularity, on the boundary, of weak solutions to the Landau-Lifshitz system in the framework of the micromagnetic model in the quasi-static approximation. We establish the existence of global weak solutions to the Landau-Lifshitz system whose tangential space gradient on the boundary is square integrable.
Number theoretic methods in cryptography complexity lower bounds
Shparlinski, Igor
1999-01-01
The book introduces new techniques which imply rigorous lower bounds on the complexity of some number theoretic and cryptographic problems. These methods and techniques are based on bounds of character sums and numbers of solutions of some polynomial equations over finite fields and residue rings. It also contains a number of open problems and proposals for further research. We obtain several lower bounds, exponential in terms of logp, on the de grees and orders of • polynomials; • algebraic functions; • Boolean functions; • linear recurring sequences; coinciding with values of the discrete logarithm modulo a prime p at suf ficiently many points (the number of points can be as small as pI/He). These functions are considered over the residue ring modulo p and over the residue ring modulo an arbitrary divisor d of p - 1. The case of d = 2 is of special interest since it corresponds to the representation of the right most bit of the discrete logarithm and defines whether the argument is a quadratic...
Generalized bounds on the partial periodic correlation of complex roots of unity sequence set
Institute of Scientific and Technical Information of China (English)
无
2008-01-01
In this paper, the generalized bounds are derived on the partial periodic correlation of complex roots of unity sequence set with zero or low correlation zone (ZCZ/LCZ) as the important criteria of the sequence design and application. The derived bounds are with respect to family size, subsequence length, maximum partial autocorrelation sidelobe, maximum partial crosscorrelation value and the ZCZ/LCZ. The results show that the derived bounds include the previous periodic bounds, such as Sarwate bound, Welch bound, Peng-Fan bound and Paterson-Lothian bound, as special cases.
Institute of Scientific and Technical Information of China (English)
Lin Feng; Zhang Wei; Zhao Ze-Yu; Cong Shu-Lin
2012-01-01
The photoassociation dynamics of ultracold lithium atoms controlled by a cut-off pulse has been investigated theoretically by solving numerically the time-dependent Schr(o)dinger equation using the mapped Fourier grid method.The frequency components of the laser pulse close to the atomic resonance are partly cut off.Compared with the typical Gauss-type pulses,the cut-off pulse is helpful to suppress efficiently the weakly bound states and prepare the associated molecules in the lower vibrational states.Especially,the dependence of photoassociation probability on the cut-off position of the laser pulse is explored.
Energy Technology Data Exchange (ETDEWEB)
Labbe, Nicole J.; Sivaramakrishnan, Raghu; Goldsmith, C. Franklin; Georgievskii, Yuri; Miller, James A.; Klippenstein, Stephen J.
2016-01-07
Weakly bound free radicals have low-dissociation thresholds such that at high temperatures, timescales for dissociation and collisional relaxation become comparable, leading to significant dissociation during the vibrational-rotational relaxation process. Here we characterize this “prompt” dissociation of formyl (HCO), an important combustion radical, using direct dynamics calculations for OH + CH2O and H + CH2O (key HCO-forming reactions). For all other HCO-forming reactions, presumption of a thermal incipient HCO distribution was used to derive prompt dissociation fractions. Inclusion of these theoretically derived HCO prompt dissociation fractions into combustion kinetics models provides an additional source for H-atoms that feeds chain branching reactions. Simulations using these updated combustion models are therefore shown to enhance flame propagation in 1,3,5-trioxane and acetylene. The present results suggest that HCO prompt dissociation should be included when simulating flames of hydrocarbons and oxygenated molecules and that prompt dissociations of other weakly bound radicals may also impact combustion simulations
Labbe, Nicole J; Sivaramakrishnan, Raghu; Goldsmith, C Franklin; Georgievskii, Yuri; Miller, James A; Klippenstein, Stephen J
2016-01-01
Weakly bound free radicals have low-dissociation thresholds such that at high temperatures, time scales for dissociation and collisional relaxation become comparable, leading to significant dissociation during the vibrational-rotational relaxation process. Here we characterize this "prompt" dissociation of formyl (HCO), an important combustion radical, using direct dynamics calculations for OH + CH2O and H + CH2O (key HCO-forming reactions). For all other HCO-forming reactions, presumption of a thermal incipient HCO distribution was used to derive prompt dissociation fractions. Inclusion of these theoretically derived HCO prompt dissociation fractions into combustion kinetics models provides an additional source for H-atoms that feeds chain-branching reactions. Simulations using these updated combustion models are therefore shown to enhance flame propagation in 1,3,5-trioxane and acetylene. The present results suggest that HCO prompt dissociation should be included when simulating flames of hydrocarbons and oxygenated molecules and that prompt dissociations of other weakly bound radicals may also impact combustion simulations.
Dynamics of fragment capture for cluster structures of weakly bound 7Li
Directory of Open Access Journals (Sweden)
Shrivastava A.
2013-12-01
Full Text Available Role of cluster structures of 7Li on reaction dynamics have been studied by performing exclusive measurements of prompt-γ rays from residues with scattered particles at energy, E/Vb = 1.6, with 198Pt target. Yields of the residues resulting after capture of t and 4,5,6He, corresponding to different excitation energies of the composite system were estimated. The results were compared with three body classical-dynamical model for breakup fusion, constrained by the measured fusion, α and t capture cross-sections. The cross-section of residues from capture of α and t agreed well with the prediction of the model showing dominance of the two step process - breakup fusion, while those from tightly bound 6He showed massive transfer to be the dominant mechanism.
Quantum Defect Theory description of weakly bound levels and Feshbach resonances in LiRb
Pérez-Ríos, Jesús; Chen, Yong P; Greene, Chris H
2014-01-01
The multichannel quantum defect theory (MQDT) in combination with the frame transformation (FT) approach is applied to model the Fano-Feshbach resonances measured for $^{7}$Li$^{87}$Rb and $^{6}$Li$^{87}$Rb [Marzok {\\it et al.} Phys. Rev. A {\\bf 79} 012717 (2009)]. The MQDT results show a level of accuracy comparable to that of previous models based on direct, fully numerical solutions of the the coupled channel Schr\\"odinger equations (CC). Here, energy levels deduced from 2-photon photoassociation spectra for $^{7}$Li$^{85}$Rb are assigned by applying the MQDT approach, obtaining the bound state energies for the coupled channel problem. Our results confirm that MQDT yields a compact description of photoassociation observables as well as the Fano-Feshbach resonance positions and widths.
Visualizing weakly bound surface Fermi arcs and their correspondence to bulk Weyl fermions.
Batabyal, Rajib; Morali, Noam; Avraham, Nurit; Sun, Yan; Schmidt, Marcus; Felser, Claudia; Stern, Ady; Yan, Binghai; Beidenkopf, Haim
2016-08-01
Fermi arcs are the surface manifestation of the topological nature of Weyl semimetals, enforced by the bulk-boundary correspondence with the bulk Weyl nodes. The surface of tantalum arsenide, similar to that of other members of the Weyl semimetal class, hosts nontopological bands that obscure the exploration of this correspondence. We use the spatial structure of the Fermi arc wave function, probed by scanning tunneling microscopy, as a spectroscopic tool to distinguish and characterize the surface Fermi arc bands. We find that, as opposed to nontopological states, the Fermi arc wave function is weakly affected by the surface potential: it spreads rather uniformly within the unit cell and penetrates deeper into the bulk. Fermi arcs reside predominantly on tantalum sites, from which the topological bulk bands are derived. Furthermore, we identify a correspondence between the Fermi arc dispersion and the energy and momentum of the bulk Weyl nodes that classify this material as topological. We obtain these results by introducing an analysis based on the role the Bloch wave function has in shaping quantum electronic interference patterns. It thus carries broader applicability to the study of other electronic systems and other physical processes.
Weakly bound states of two- and three-boson systems in the crossover from two to three dimensions
DEFF Research Database (Denmark)
Yamashita, Marcelo; Bellotti, Filipe Furlan; Frederico, Tobias
2015-01-01
. In this paper we study weakly bound states of non-relativistic two and three boson systems when passing continuously from a three (3D) to a two-dimensional (2D) regime within a 'squeezed dimension' model. We use periodic boundary conditions to derive a surprisingly simple form of the three-boson Schr{\\"o}dinger...... equation in momentum space that we solve numerically. Our results show a distinct dimensional crossover as three-boson states will either disappear into the continuum or merge with a 2D counterpart, and also a series of sharp transitions in the ratios of three-body and two-body energies from being purely 2...
Ohkubo, S
2016-01-01
We present for the first time evidence for the existence of a dynamically refracted primary bow for $^{9}$Be+$^{16}$O scattering. This is demonstrated through the use of coupled channel calculations with an extended double folding potential derived from the density-dependent effective two-body force and precise microscopic cluster wave functions for $^{9}$Be. The calculations reproduce the experimental Airy structure in $^{9}$Be+$^{16}$O scattering well.It is found that coupling of a weakly bound $^{9}$Be nucleus to excited states plays the role of a booster lens, dynamically enhancing the refraction over the {\\it static} refraction due to the Luneburg lens mean field potential between the ground states of $^{9}$Be and $^{16}$O.
Improved complexity bounds for real root isolation using Continued Fractions
Tsigaridas, Elias
2010-01-01
We consider the problem of isolating the real roots of a square-free polynomial with integer coefficients using (variants of) the continued fraction algorithm (CF). We introduce a novel way to compute a lower bound on the positive real roots of univariate polynomials. This allows us to derive a worst case bound of $\\sOB(d^6 + d^4\\tau^2 + d^3\\tau^2)$ for isolating the real roots of a polynomial with integer coefficients using the classic variant of CF, where $d$ is the degree of the polynomial and $\\tau$ the maximum bitsize of its coefficients. This improves the previous bound by Sharma \\cite{sharma-tcs-2008} by a factor of $d^3$ and matches the bound derived by Mehlhorn and Ray \\cite{mr-jsc-2009} for another variant of CF; it also matches the worst case bound of the subdivision-based solvers. We present a new variant of CF, we call it iCF, that isolates the real roots of a polynomial with integer coefficients in $\\sOB(d^5+d^4\\tau)$, thus improving the current known bound for the problem by a factor of $d$. If...
Improved complexity bounds for real root isolation using Continued Fractions
Tsigaridas, Elias
2010-01-01
We consider the problem of isolating the real roots of a square-free polynomial with integer coefficients using (variants of) the continued fraction algorithm (CF). We introduce a novel way to compute a lower bound on the positive real roots of univariate polynomials. This allows us to derive a worst case bound of $\\sOB( d^6 + d^4\\tau^2 + d^3\\tau^2)$ for isolating the real roots of a polynomial with integer coefficients using the classic variant of CF, where $d$ is the degree of the polynomial and $\\tau$ the maximum bitsize of its coefficients. This improves the previous bound by Sharma \\cite{sharma-tcs-2008} by a factor of $d^3$ and matches the bound derived by Mehlhorn and Ray \\cite{mr-jsc-2009} for another variant of CF; it also matches the worst case bound of the subdivision-based solvers. We present a new variant of CF, we call it iCF, that isolates the real roots of a polynomial with integer coefficients in $\\sOB(d^5+d^4\\tau)$, thus improving the current known bound for the problem by a factor of $d$. I...
Jiang, Song
2011-01-01
We prove the existence of a weak solution to the three-dimensional steady compressible isentropic Navier-Stokes equations in bounded domains for any specific heat ratio \\gamma > 1. Generally speaking, the proof is based on the new weighted estimates of both pressure and kinetic energy for the approximate system which result in some higher integrability of the density, and the method of weak convergence. Comparing with [12] where the spatially periodic case was studied, here we have to control the additional integral terms of both pressure and kinetic energy involving with the points near the boundary which become degenerate when the points approach the boundary. Such integral terms are estimated using some new techniques, i.e., we use the techniques of the mirror image and boundary straightening to prove that the weighted estimates of both pressure and kinetic energy for the points near the boundary can be controlled by the weighted estimates for the points on the boundary. Moreover, we prove that once the we...
Energy Technology Data Exchange (ETDEWEB)
Santhosh, K.P., E-mail: drkpsanthosh@gmail.com; Bobby Jose, V.
2014-02-15
The total fusion cross sections for the fusion of weakly bound {sup 9}Be on {sup 27}Al and {sup 64}Zn targets at near and above the barrier have been calculated using one dimensional barrier penetration model, taking scattering potential as the sum of Coulomb and proximity potential and the calculated values are compared with experimental data. For the purpose of comparison of the fusion of weakly bound projectiles and strongly bound projectiles, the total fusion cross sections for the reaction of tightly bound nucleus {sup 16}O on {sup 64}Zn have also been computed using a similar procedure. The calculated values of total fusion cross sections in all cases are compared with coupled channel calculations using the code CCFULL. The computed cross sections using Coulomb and proximity potential explain the fusion reactions well in both cases of weakly bound and strongly bound projectiles. Reduced reaction cross sections for the systems {sup 9}Be+{sup 27}Al, {sup 9}Be+{sup 64}Zn and {sup 16}O+{sup 64}Zn have also been described.
Santhosh, K P
2013-01-01
The total fusion cross sections for the fusion of weakly bound $^{9}$Be on $^{27}$Al and $^{64}$Zn targets at near and above the barrier have been calculated using one dimensional barrier penetration model, taking scattering potential as the sum of Coulomb and proximity potential and the calculated values are compared with experimental data. For the purpose of comparison of the fusion of weakly bound projectiles and strongly bound projectiles, the total fusion cross sections for the reaction of tightly bound nucleus $^{16}$O on $^{64}$Zn have also been computed using a similar procedure. The calculated values of total fusion cross sections in all cases are compared with coupled channel calculations using the code CCFULL. The computed cross sections using Coulomb and proximity potential explain the fusion reactions well in both cases of weakly bound and strongly bound projectiles. Reduced reaction cross sections for the systems $^{9}$Be + $^{27}$Al, $^{9}$Be+ $^{64}$Zn and $^{16}$O + $^{64}$Zn have also been d...
Bounds on Average Time Complexity of Decision Trees
Chikalov, Igor
2011-01-01
In this chapter, bounds on the average depth and the average weighted depth of decision trees are considered. Similar problems are studied in search theory [1], coding theory [77], design and analysis of algorithms (e.g., sorting) [38]. For any diagnostic problem, the minimum average depth of decision tree is bounded from below by the entropy of probability distribution (with a multiplier 1/log2 k for a problem over a k-valued information system). Among diagnostic problems, the problems with a complete set of attributes have the lowest minimum average depth of decision trees (e.g, the problem of building optimal prefix code [1] and a blood test study in assumption that exactly one patient is ill [23]). For such problems, the minimum average depth of decision tree exceeds the lower bound by at most one. The minimum average depth reaches the maximum on the problems in which each attribute is "indispensable" [44] (e.g., a diagnostic problem with n attributes and kn pairwise different rows in the decision table and the problem of implementing the modulo 2 summation function). These problems have the minimum average depth of decision tree equal to the number of attributes in the problem description. © Springer-Verlag Berlin Heidelberg 2011.
Energy Technology Data Exchange (ETDEWEB)
Woodard, A.E., E-mail: awoodard@nd.edu [Laboratorio Tandar, Comision Nacional de Energia Atomica, B1650KNA San Martin, Buenos Aires (Argentina); Figueira, J.M. [Laboratorio Tandar, Comision Nacional de Energia Atomica, B1650KNA San Martin, Buenos Aires (Argentina); Consejo Nacional de Investigaciones Cientificas y Tecnicas, C1033AAJ Ciudad de Buenos Aires (Argentina); Otomar, D.R. [Instituto de Fisica, Universidade Federal Fluminense, Gragoata, Niteroi, R. J., 24210-340 (Brazil); Fernandez Niello, J.O. [Laboratorio Tandar, Comision Nacional de Energia Atomica, B1650KNA San Martin, Buenos Aires (Argentina); Consejo Nacional de Investigaciones Cientificas y Tecnicas, C1033AAJ Ciudad de Buenos Aires (Argentina); Escuela de Ciencia y Tecnologia, Universidad de San Martin, B1650BWA San Martin, Buenos Aires (Argentina); Lubian, J. [Instituto de Fisica, Universidade Federal Fluminense, Gragoata, Niteroi, R. J., 24210-340 (Brazil)
2012-01-01
Angular distributions for the inelastic scattering of the weakly bound {sup 6}Li nucleus from a {sup 144}Sm target (associated with the contributions of both the 2{sub 1}{sup +} and 3{sub 1}{sup -144}Sm excited states together) were measured at bombarding energies close to the Coulomb barrier. The experimental data were compared with expected results based on continuum discretized coupled-channel (CDCC) calculations. The results confirm that it is essential to include continuum-continuum couplings to reproduce the experimental data. The analysis demonstrates that inelastic scattering data can be a critical tool in testing full CDCC calculations involving weakly bound nuclei.
Pietrow, M; Misiak, L E; Kornarzynski, K; Szurkowski, J; Rochowski, P; Grzegorczyk, M
2014-01-01
It is generally assumed that weakly bound (trapped) electrons in organic solids come only from radiolytical (or photochemical) processes like ionization caused by an excited positron entering the sample. This paper presents an evidence for the presence of these electrons in non-irradiated samples of docosane. We argue that these electrons can be located (trapped) either in interlamellar gaps or in spaces made by non-planar conformers. The electrons from the former ones are bound more weakly than those from the latter ones. The origin of Vis absorption for the samples is explained. These spectra can be used as a probe indicating differences in the solid structures of hydrocarbons.
Lower bounds on information complexity via zero-communication protocols and applications
Kerenidis, Iordanis; Lerays, Virginie; Roland, Jeremie; Xiao, David
2012-01-01
We show that almost all known lower bound methods for communication complexity are also lower bounds for the information complexity. In particular, we define a relaxed version of the partition bound of Jain and Klauck and prove that it lower bounds the information complexity of any function. Our relaxed partition bound subsumes all norm based methods (e.g. the factorization norm method) and rectangle-based methods (e.g. the rectangle/corruption bound, the smooth rectangle bound, and the discrepancy bound), except the partition bound. Our result uses a new connection between rectangles and zero-communication protocols where the players can either output a value or abort. We prove the following compression lemma: given a protocol for a function f with information complexity I, one can construct a zero-communication protocol that has non-abort probability at least 2^{-O(I)} and that computes f correctly with high probability conditioned on not aborting. Then, we show how such a zero-communication protocol relate...
Combustion-related studies using weakly-bonded complexes
Energy Technology Data Exchange (ETDEWEB)
Beaudet, R.A. [Univ. of Southern California, Los Angeles (United States)
1993-12-01
Binary van der Waals complexes involving species of interest to combustion research are prepared in supersonic free-jet expansions, and their photochemical and photophysical properties are probed by using IR tunable diode laser (TDL) spectroscopy. In the first phase, geometries and other molecular properties are being determined from vibration-rotational spectra. In the second phase, these complexes will be used as precursors to study photoinitiated reactions in precursor geometry limited environments. Two complementary classes of binary complexes are being investigated. The first involves molecular oxygen and hydrogen containing constituents (e.g. O{sub 2}-HCN, O{sub 2}-HF, O{sub 2}-HCl, O{sub 2}-HBr, O{sub 2}-HI and O{sub 2}-hydrocarbons). These species are interesting candidates for study since upon photodissociating the hydride portion, the reaction H and O{sub 2} via the vibrationally excited HO{sub 2} intermediate can conceivably be studied, (e.g. BrH-O{sub 2} + hv(193 nm) {yields} Br-H-O{sub 2} {yields} Br + HO{sub 2} {yields} Br + OH + O). High resolution IR spectroscopy of such complexes have not been obtained previously and the structural information deriving from IR spectra is certainly very useful for better designing and understanding photoinitiated reactions that occur in these complexes.
On the Weak* Drop Property for Polar of Closed Bounded Convex Sets%关于有界闭凸集的极上的弱滴性
Institute of Scientific and Technical Information of China (English)
张子厚
2004-01-01
We define and study the weak* drop property for the polar of a closed bounded convex set in a Banach space which is both a generalization of the weak* drop property for dual norm in a Banach space and a characterization of the sub-differential mappingx→αp(x) from S(X) into 2S(X*) that is norm upper semi-countinuous and norm compact-valued.
Biogenesis of membrane bound respiratory complexes in Escherichia coli
Price, Claire E.; Driessen, Arnold J. M.
2010-01-01
Escherichia colt is one of the preferred bacteria for studies on the energetics and regulation of respiration Respiratory chains consist of primary dehydrogenases and terminal reductases or oxidases linked by quinones. In order to assemble this complex arrangement of protein complexes, synthesis of
Chaos in the classical mechanics of bound and quasi-bound HX-4He complexes with X = F, Cl, Br, CN.
Gamboa, Antonio; Hernández, Henar; Ramilowski, Jordan A; Losada, J C; Benito, R M; Borondo, F; Farrelly, David
2009-10-01
The classical dynamics of weakly bound floppy van der Waals complexes have been extensively studied in the past except for the weakest of all, i.e., those involving He atoms. These complexes are of considerable current interest in light of recent experimental work focussed on the study of molecules trapped in small droplets of the quantum solvent (4)He. Despite a number of quantum investigations, details on the dynamics of how quantum solvation occurs remain unclear. In this paper, the classical rotational dynamics of a series of van der Waals complexes, HX-(4)He with X = F, Cl, Br, CN, are studied. In all cases, the ground state dynamics are found to be almost entirely chaotic, in sharp contrast to other floppy complexes, such as HCl-Ar, for which chaos sets in only at relatively high energies. The consequences of this result for quantum solvation are discussed. We also investigate rotationally excited states with J = 1 which, except for HCN-(4)He, are actually resonances that decay by rotational pre-dissociation.
Compact composition operators on real Banach spaces of complex-valued bounded Lipschitz functions
Directory of Open Access Journals (Sweden)
Davood Alimohammadi
2014-10-01
Full Text Available We characterize compact composition operators on real Banachspaces of complex-valued bounded Lipschitz functions on metricspaces, not necessarily compact, with Lipschitz involutions anddetermine their spectra.
Space-Bounded Complexity Classes and Iterated Deterministic Substitution
Asveld, P.R.J.
1979-01-01
We investigate the effect on the space complexity when a language family $K$ is extended by means of iterated $\\lambda$-free deterministic substitution to a family $\\eta(K)$. If each language in $K$ is accepted by a one-way nondeterministic multi-tape Turing machine within space $S(n)$ for some mono
Space-Bounded Complexity Classes and Iterated Deterministic Substitution
Asveld, P.R.J.
1980-01-01
We investigate the effect on the space complexity when a language family $K$ is extended by means of $\\lambda$-free deterministic substitution to the family $\\eta(K)$. If each language in $K$ is accepted by a one-way nondeterministic multi-tape Turing-machine within space $S(n)$ for some monotonic s
Energy Technology Data Exchange (ETDEWEB)
Goble, J.H. Jr.
1982-05-01
Three variations on the Dunham series expansion function of the potential of a diatomic molecule are compared. The differences among these expansions lie in the choice of the expansion variable, lambda. The functional form of these variables are lambda/sub s/ = l-r/sub e//r for the Simon-Parr-Finlan version, lambda/sub T/ - 1-(r/sub e//r)/sup p/ for that of Thakkar, and lambda/sub H/ = 1-exp(-rho(r/r/sub e/-1) for that of Huffaker. A wide selection of molecular systems are examined. It is found that, for potentials in excess of thirty kcal/mole, the Huffaker expansion provides the best description of the three, extrapolating at large internuclear separation to a value within 10% of the true dissociation energy. For potentials that result from the interaction of excited states, all series expansions show poor behavior away from the equilibrium internuclear separation of the molecule. The series representation of the potentials of weakly bound molecules are examined in more detail. The ground states of BeAr/sup +/, HeNe/sup +/, NaAr, and Ar/sub 2/ and the excited states of HeNe+, NaNe, and NaAr are best described by the Thakkar expansion. Finally, the observation of laser-assisted excitive Penning ionization in a flowing afterglow is reported. The reaction Ar(/sup 3/P/sub 2/) + Ca + h nu ..-->.. Ar + Ca/sup +/(5p /sup 2/P/sub J/) + e/sup -/ occurs when the photon energy, h nu, is approximately equal to the energy difference between the metastable argon and one of the fine structure levels of the ion's doublet. By monitoring the cascade fluorescence of the above reaction and comparing it to the flourescence from the field-free process Ar(/sup 3/P/sub 2/) + Ca ..-->.. Ar + Ca/sup +/(4p /sup 2/P/sub J/) + e/sup -/ a surprisingly large cross section of 6.7 x 10/sup 3/ A/sup 2/ is estimated.
Without bounds a scientific canvas of nonlinearity and complex dynamics
Ryazantsev, Yuri; Starov, Victor; Huang, Guo-Xiang; Chetverikov, Alexander; Arena, Paolo; Nepomnyashchy, Alex; Ferrus, Alberto; Morozov, Eugene
2013-01-01
Bringing together over fifty contributions on all aspects of nonlinear and complex dynamics, this impressive topical collection is both a scientific and personal tribute, on the occasion of his 70th birthday, by many outstanding colleagues in the broad fields of research pursued by Prof. Manuel G Velarde. The topics selected reflect the research areas covered by the famous Instituto Pluridisciplinar at the Universidad Complutense of Madrid, which he co-founded over two decades ago, and include: fluid physics and related nonlinear phenomena at interfaces and in other geometries, wetting and spreading dynamics, geophysical and astrophysical flows, and novel aspects of electronic transport in anharmonic lattices, as well as topics in neurodynamics and robotics.
Bounds on complex polarizabilities and a new perspective on scattering by a lossy inclusion
Milton, Graeme W.
2017-09-01
Here, we obtain explicit formulas for bounds on the complex electrical polarizability at a given frequency of an inclusion with known volume that follow directly from the quasistatic bounds of Bergman and Milton on the effective complex dielectric constant of a two-phase medium. We also describe how analogous bounds on the orientationally averaged bulk and shear polarizabilities at a given frequency can be obtained from bounds on the effective complex bulk and shear moduli of a two-phase medium obtained by Milton, Gibiansky, and Berryman, using the quasistatic variational principles of Cherkaev and Gibiansky. We also show how the polarizability problem and the acoustic scattering problem can both be reformulated in an abstract setting as "Y problems." In the acoustic scattering context, to avoid explicit introduction of the Sommerfeld radiation condition, we introduce auxiliary fields at infinity and an appropriate "constitutive law" there, which forces the Sommerfeld radiation condition to hold. As a consequence, we obtain minimization variational principles for acoustic scattering that can be used to obtain bounds on the complex backwards scattering amplitude. Some explicit elementary bounds are given.
Andersson, Johanna; Fornander, Louise H; Abrahamsson, Maria; Tuite, Eimer; Nordell, Pär; Lincoln, Per
2013-01-18
Despite the extensive interest in structurally explaining the photophysics of DNA-bound [Ru(phen)(2)dppz](2+) and [Ru(bpy)(2)dppz](2+), the origin of the two distinct emission lifetimes of the pure enantiomers when intercalated into DNA has remained elusive. In this report, we have combined a photophysical characterization with a detailed isothermal titration calorimetry study to investigate the binding of the pure Δ and Λ enantiomers of both complexes with [poly(dAdT)](2). We find that a binding model with two different binding geometries, proposed to be symmetric and canted intercalation from the minor groove, as recently reported in high-resolution X-ray structures, is required to appropriately explain the data. By assigning the long emission lifetime to the canted binding geometry, we can simultaneously fit both calorimetric data and the binding-density-dependent changes in the relative abundance of the two emission lifetimes using the same binding model. We find that all complex-complex interactions are slightly unfavorable for Δ-[Ru(bpy)(2)dppz](2+), whereas interactions involving a complex canted away from a neighbor are favorable for the other three complexes. We also conclude that Δ-[Ru(bpy)(2)dppz](2+) preferably binds isolated, Δ-[Ru(phen)(2)dppz](2+) preferably binds as duplets of canted complexes, and that all complexes are reluctant to form longer consecutive sequences than triplets. We propose that this is due to an interplay of repulsive complex-complex and attractive complex-DNA interactions modulated by allosteric DNA conformation changes that are largely affected by the nature of the ancillary ligands.
Control of Future Air Traffic Systems via Complexity Bound Management
Alexandrov, Natalia
2013-01-01
The complexity of the present system for managing air traffic has led to "discreteness" in approaches to creating new concepts: new concepts are created as point designs, based on experience, expertise, and creativity of the proposer. Discrete point designs may be highly successful but they are difficult to substantiate in the face of equally strong substantiation of competing concepts, as well as the state of the art in concept evaluation via simulations. Hybrid concepts may present a compromise - the golden middle. Yet a hybrid of sometimes in principle incompatible concepts forms another point design that faces the challenge of substantiation and validation. We are faced with the need to re-design the air transportation system ab initio. This is a daunting task, especially considering the problem of transitioning from the present system to any fundamentally new system. However, design from scratch is also an opportunity to reconsider approaches to new concept development. In this position paper we propose an approach, Optimized Parametric Functional Design, for systematic development of concepts for management and control of airspace systems, based on optimization formulations in terms of required system functions and states. This reasoning framework, realizable in the context of ab initio system design, offers an approach to deriving substantiated airspace management and control concepts. With growing computational power, we hope that the approach will also yield a methodology for actual dynamic control of airspace
Games and Complexes II: Weight Games and Kruskal-Katona Type Bounds
Faridi, Sara; Huntemann, Svenja; Nowakowski, Richard J.
2013-01-01
A strong placement game $G$ played on a board $B$ is equivalent to a simplicial complex $\\Delta_{G,B}$. We look at weight games, a subclass of strong placement games, and introduce upper bounds on the number of positions with $i$ pieces in $G$, or equivalently the number of faces with $i$ vertices in $\\Delta_{G,B}$, which are reminiscent of the Kruskal-Katona bounds.
Energy Technology Data Exchange (ETDEWEB)
Pietrow, M., E-mail: mrk@kft.umcs.lublin.pl; Misiak, L. E. [Institute of Physics, M. Curie-Skłodowska University, ul. Pl. M. Curie-Skłodowskiej 1, 20-031 Lublin (Poland); Gagoś, M. [Department of Cell Biology, Institute of Biology and Biochemistry, Maria Curie-Skłodowska University, ul. Akademicka 19, 20-033 Lublin (Poland); Kornarzyński, K. [Department of Physics, University of Life Sciences in Lublin, Akademicka 13, 20-950 Lublin (Poland); Szurkowski, J.; Grzegorczyk, M. [Institute of Experimental Physics, University of Gdańsk, Wita Stwosza 57, 80-952 Gdańsk (Poland); Rochowski, P. [Institute of Experimental Physics, University of Gdańsk, Wita Stwosza 57, 80-952 Gdańsk (Poland); Pomeranian University in Słupsk, Arciszewskiego 22b, 76-200 Słupsk (Poland)
2015-02-14
It is generally assumed that weakly bound (trapped) electrons in organic solids come only from radiolytical (or photochemical) processes like ionization caused by an excited positron entering the sample. This paper presents evidence for the presence of these electrons in non-irradiated samples of docosane. This can be due to the triboelectrification process. We argue that these electrons can be located (trapped) either in interlamellar gaps or in spaces made by non-planar conformers. Electrons from the former ones are bound more weakly than electrons from the latter ones. The origin of Vis absorption for the samples is explained. These spectra can be used as a probe indicating differences in the solid structures of hydrocarbons.
Dissociation and purification of the endogenous membrane-bound Vo complex from Pichia pastoris.
Li, Sumei; Hong, Tao; Wang, Kun; Lu, Yinghong; Zhou, Min
2017-10-01
Most proteins occur and function in complexes rather than as isolated entities in membranes. In most cases macromolecules with multiple subunits are purified from endogenous sources. In this study, an endogenous membrane-protein complex was obtained from Pichia pastoris, which can be grown at high densities to significantly improve the membrane protein yield. We successfully isolated the membrane-bound Vo complex of V-ATPase from P. pastoris using a fusion FLAG tag attached to the C-terminus of subunit a to generate the vph-tag strain, which was used for dissociation and purification. After FLAG affinity and size exclusion chromatography purification, the production quantity and purity of the membrane-bound Vo complex was 20 μg l(-1) and >98%, respectively. The subunits of the endogenous membrane-bound Vo complex observed in P. pastoris were similar to those obtained from S. cerevisiae, as demonstrated by liquid chromatography-tandem mass spectrometry (LC-MS-MS). Therefore, successful dissociation and purification of the membrane-bound Vo complex at a high purity and sufficient quantity was achieved via a rapid and simple procedure that can be used to obtain the endogenous membrane-protein complexes from P. pastoris. Copyright © 2017 Elsevier Inc. All rights reserved.
Preparation and Catalytic Properties of Polymer-Bound Schiff Base Ternary Complexes
Institute of Scientific and Technical Information of China (English)
HAO Cheng-jun; WANG Rong-min; HE Yu-feng; WANG Yun-pu; XIA Chun-gu
2004-01-01
The polymer-bound Schiff base ternary manganese complexes [PS-SalPhe-Mn-L (L = Phen, Bipy and 8HQ)-] have been prepared from the polymer-bound Schiff base ligand, a manganese salt and the second ligand, such as 1,10-phenanthroline(phen), 2,2′-bipyridyl(bipy) and 8-quinolinol(8HQ). The polymer-bound Schiff base ternary manganese complexes were characterized by means of infrared spectrometry and ICPAES. The catalytic activities of the complexes have been studied in the aerobic epoxidation of long-chain linear a[iphatic olefins. It is shown that 1-octene or 1-decene can be directly oxidized by molecular oxygen when catalyzed by PS-SalPhe-Mn-L(L=Phen, Bipy and 8HQ), and 1,2-epoxy alkane can be afforded in these reactions.
A Complexity-Based Approach for the Detection of Weak Signals in Ocean Ambient Noise
Directory of Open Access Journals (Sweden)
Shashidhar Siddagangaiah
2016-03-01
Full Text Available There are numerous studies showing that there is a constant increase in the ocean ambient noise level and the ever-growing demand for developing algorithms for detecting weak signals in ambient noise. In this study, we utilize dynamical and statistical complexity to detect the presence of weak ship noise embedded in ambient noise. The ambient noise and ship noise were recorded in the South China Sea. The multiscale entropy (MSE method and the complexity-entropy causality plane (C-H plane were used to quantify the dynamical and statistical complexity of the measured time series, respectively. We generated signals with varying signal-to-noise ratio (SNR by varying the amplification of a ship signal. The simulation results indicate that the complexity is sensitive to change in the information in the ambient noise and the change in SNR, a finding that enables the detection of weak ship signals in strong background ambient noise. The simulation results also illustrate that complexity is better than the traditional spectrogram method, particularly effective for detecting low SNR signals in ambient noise. In addition, complexity-based MSE and C-H plane methods are simple, robust and do not assume any underlying dynamics in time series. Hence, complexity should be used in practical situations.
Damanik, David
2008-01-01
We develop further the approach to upper and lower bounds in quantum dynamics via complex analysis methods which was introduced by us in a sequence of earlier papers. Here we derive upper bounds for non-time averaged outside probabilities and moments of the position operator from lower bounds for transfer matrices at complex energies. Moreover, for the time-averaged transport exponents, we present improved lower bounds in the special case of the Fibonacci Hamiltonian. These bounds lead to an optimal description of the time-averaged spreading rate of the fast part of the wavepacket in the large coupling limit. This provides the first example which demonstrates that the time-averaged spreading rates may exceed the upper box-counting dimension of the spectrum.
NEW METHOD OF EXTRACTING WEAK FAILURE INFORMATION IN GEARBOX BY COMPLEX WAVELET DENOISING
Institute of Scientific and Technical Information of China (English)
CHEN Zhixin; XU Jinwu; YANG Debin
2008-01-01
Because the extract of the weak failure information is always the difficulty and focus of fault detection. Aiming for specific statistical properties of complex wavelet coefficients of gearbox vibration signals, a new signal-denoising method which uses local adaptive algorithm based on dual-tree complex wavelet transform (DT-CWT) is introduced to extract weak failure information in gear, especially to extract impulse components. By taking into account the non-Gaussian probability distribution and the statistical dependencies among wavelet coefficients of some signals, and by taking the advantage of near shift-invariance of DT-CWT, the higher signal-to-noise ratio (SNR) than common wavelet denoising methods can be obtained. Experiments of extracting periodic impulses in gearbox vibration signals indicate that the method can extract incipient fault feature and hidden information from heavy noise, and it has an excellent effect on identifying weak feature signals in gearbox vibration signals.
Yeh, Yu-Fang
2016-01-01
Animation is one of the useful contemporary educational technologies in teaching complex subjects. There is a growing interest in proper use of learner-technology interaction to promote learning quality for different groups of learner needs. The purpose of this study is to investigate if an interaction approach supports weak learners, who have…
Weakly bound states of two- and three-boson systems in the crossover from two to three dimensions
DEFF Research Database (Denmark)
Yamashita, Marcelo; Bellotti, Filipe Furlan; Frederico, Tobias
2015-01-01
The spectrum and properties of quantum bound states is strongly dependent on the dimensionality of space. How this comes about and how one may theoretically and experimentally study the interpolation between different dimensions is a topic of great interest in different fields of physics. In this...
Lower Bounds for Number-in-Hand Multiparty Communication Complexity, Made Easy
DEFF Research Database (Denmark)
Phillips, Jeff; Verbin, Elad; Zhang, Qin
2012-01-01
In this paper we prove lower bounds on randomized multiparty communication complexity, both in the blackboard model (where each message is written on a blackboard for all players to see) and (mainly) in the message-passing model, where messages are sent player-to-player. We introduce a new...
Sharp Growth Theorems and Coefficient Bounds for Starlike Mappings in Several Complex Variables
Institute of Scientific and Technical Information of China (English)
Hidetaka HAMADA; Tatsuhiro HONDA
2008-01-01
Let B be the unit ball in a complex Banach space. Let S*+1(B) be the family of normalized starlike mappings f on B such that z = 0 is a zero of order k + 1 of f(z) - z. The authors obtain sharp growth and covering theorems, as well as sharp coefficient bounds for various subsets of S*k+1(B).
Strong and weak hydrogen bonds in drug–DNA complexes: A statistical analysis
Indian Academy of Sciences (India)
Sunil K Panigrahi; Gautam R Desiraju
2007-06-01
A statistical analysis of strong and weak hydrogen bonds in the minor groove of DNA was carried out for a set of 70 drug–DNA complexes. The terms `strong’ and `weak’ pertain to the inherent strengths and weakness of the donor and acceptor fragments rather than to any energy considerations. The dataset was extracted from the protein data bank (PDB). The analysis was performed with an in-house software, hydrogen bond analysis tool (HBAT). In addition to strong hydrogen bonds such as O−H···O and N−H···O, the ubiquitous presence of weak hydrogen bonds such as C−H···O is implicated in molecular recognition. On an average, there are 1.4 weak hydrogen bonds for every strong hydrogen bond. For both categories of interaction, the N(3) of purine and the O(2) of pyrimidine are favoured acceptors. Donor multifurcation is common with the donors generally present in the drug molecules, and shared by hydrogen bond acceptors in the minor groove. Bifurcation and trifurcation are most commonly observed. The metrics for strong hydrogen bonds are consistent with established trends. The geometries are variable for weak hydrogen bonds. A database of recognition geometries for 26 literature amidinium-based inhibitors of Human African Trypanosomes (HAT) was generated with a docking study using seven inhibitors which occur in published crystal structures included in the list of 70 complexes mentioned above, and 19 inhibitors for which the drug–DNA complex crystal structures are unknown. The virtual geometries so generated correlate well with published activities for these 26 inhibitors, justifying our assumption that strong and weak hydrogen bonds are optimized in the active site.
Weak Links: Stabilizers of Complex Systems from Proteins to Social Networks
Csermely, Peter
Why do women stabilize our societies? Why can we enjoy and understand Shakespeare? Why are fruitflies uniform? Why do omnivorous eating habits aid our survival? Why is Mona Lisa's smile beautiful? -- Is there any answer to these questions? This book shows that the statement: "weak links stabilize complex systems" holds the answers to all of the surprising questions above. The author (recipientof several distinguished science communication prizes) uses weak (low affinity, low probability) interactions as a thread to introduce a vast varietyof networks from proteins to ecosystems.
Dimitrakakis, Christos
2009-01-01
There has been a lot of recent work on Bayesian methods for reinforcement learning exhibiting near-optimal online performance. The main obstacle facing such methods is that in most problems of interest, the optimal solution involves planning in an infinitely large tree. However, it is possible to obtain stochastic lower and upper bounds on the value of each tree node. This enables us to use stochastic branch and bound algorithms to search the tree efficiently. This paper proposes two such algorithms and examines their complexity in this setting.
Energy Technology Data Exchange (ETDEWEB)
Beck, C. [Institut Pluridisciplinaire Hubert Curien, UMR 7178, IN2P3-CNRS et Universite Louis Pasteur (Strasbourg I), 23 rue du Loess - BP28, F-67037 Strasbourg Cedex 2 (France); Keeley, N. [DSM/DAPNIA/SPhN CEA Saclay, Orme des Merisiers, F-91191 Gif-sur-Yvette Cedex (France); Diaz-Torres, A. [Department of Nuclear Physics, Research School of Physical Sciences and Engineering, The Australian National University, Canberra ACT 0200 (Australia)
2007-03-15
The influence on fusion of coupling to the breakup process is investigated for reactions where at least one of the colliding nuclei has a sufficiently low binding energy for breakup to become an important process. Elastic scattering, excitation functions for sub-and near-barrier fusion cross sections, and breakup yields are analyzed for {sup 6,7}Li+{sup 59}Co. Continuum-Discretized Coupled-Channels (CDCC) calculations describe well the data at and above the barrier. Elastic scattering with {sup 6}Li (as compared to {sup 7}Li) indicates the significant role of breakup for weakly bound projectiles. A study of {sup 4,6}He induced fusion reactions with a three-body CDCC method for the {sup 6}He halo nucleus is presented. The relative importance of breakup and bound-state structure effects on total fusion is discussed. (authors)
Reichardt, Ben W.
2009-01-01
The general adversary bound is a semi-definite program (SDP) that lower-bounds the quantum query complexity of a function. We turn this lower bound into an upper bound, by giving a quantum walk algorithm based on the dual SDP that has query complexity at most the general adversary bound, up to a logarithmic factor. In more detail, the proof has two steps, each based on "span programs," a certain linear-algebraic model of computation. First, we give an SDP that outputs for any boolean function...
Cryptographic applications of analytic number theory complexity lower bounds and pseudorandomness
2003-01-01
The book introduces new ways of using analytic number theory in cryptography and related areas, such as complexity theory and pseudorandom number generation. Key topics and features: - various lower bounds on the complexity of some number theoretic and cryptographic problems, associated with classical schemes such as RSA, Diffie-Hellman, DSA as well as with relatively new schemes like XTR and NTRU - a series of very recent results about certain important characteristics (period, distribution, linear complexity) of several commonly used pseudorandom number generators, such as the RSA generator, Blum-Blum-Shub generator, Naor-Reingold generator, inversive generator, and others - one of the principal tools is bounds of exponential sums, which are combined with other number theoretic methods such as lattice reduction and sieving - a number of open problems of different level of difficulty and proposals for further research - an extensive and up-to-date bibliography Cryptographers and number theorists will find th...
Institute of Scientific and Technical Information of China (English)
HAO Chengjun; ZhAO Ganqing
2007-01-01
Polymer-bound Schiff-base ligand (PS-Sal-Cys) was prepared from the polystyrene-bound salicylaldehyde and L-cysteine, its complex (PS-Sal-Cys-Mn) was also synthesized. The polymer ligand and its complex were characterized by infrared spectra (IR), small area X-ray photoelectron spectroscopy (XPS), and inductively coupled plasma-atomic emission spectro (ICP-AES). In the presence of complex, cyclohexane can be effectively oxidized by molecular oxygen without a reductant. The major products of the reaction are 2-cyclohexen-1-ol, 2-cyclohexen-1-one, and 2-cyclohexen-1-hydroperoxide, which is different from the typical oxidation of cyclohexene. The mechanism of cyclohexene oxidation is also discussed.
Energy Technology Data Exchange (ETDEWEB)
Zhang, J.; Dulligan, M.; Segall, J.; Wen, Y.; Wittig, C. [Univ. of Southern California, Los Angeles, CA (United States)
1995-09-14
This paper reports results obtained with (HI){sub 2} clusters under molecular beam conditions that are strongly biased in favor of the formation of binary clusters over higher-than- binary clusters. A preliminary account has been given previously. Pulsed laser photolysis at 266 nm is used to dissociate HI moieties, thereby initiating intracluster reactions, and elastic and inelastic scattering as well as forming weakly-bound radical-molecule clusters. Additionally high laser fluences are used to effect the efficient sequential removal of both hydrogen atoms, opening the door to several intriguing interactions. 34 refs., 15 figs.
Assemblies composed of oligothiophene–ruthenium complexes bound to CdSe nanoparticles
Energy Technology Data Exchange (ETDEWEB)
Bair, Nathan; Hancock, Jared M.; Simonson, Cameron J. [Department of Chemistry and Biochemistry, Brigham Young University, Provo, UT 84602 (United States); Thalman, Scott W.; Colton, John S. [Department of Physics and Astronomy,Brigham Young University, Provo, UT 84602 (United States); Asplund, Matthew C. [Department of Chemistry and Biochemistry, Brigham Young University, Provo, UT 84602 (United States); Harrison, Roger G., E-mail: roger_harrison@byu.edu [Department of Chemistry and Biochemistry, Brigham Young University, Provo, UT 84602 (United States)
2015-02-15
Molecular conjugates are important to link light sensitized materials to electron acceptors. We have synthesized oligothiophenes and oligothiophene–ruthenium complexes and bound them to CdSe nanoparticles. The absorption and fluorescence properties of the oligothiophenes bound to CdSe were measured. Steady-state luminescence and time correlated single photon counting were used to observe the effects on fluorescence and fluorescence lifetimes before and after binding. It was found that fluorescence of CdSe nanoparticles was quenched when they were bound to the oligothiophenes, and that the fluorescence of the oligothiophenes was also quenched. The fluorescence lifetimes of the quenched species were shortened and suggest electron transfer from oligothiophene to nanoparticle is on the order of one nanosecond. Orbital energy calculations predict that the Ru bound oligothiophenes have HOMO–LUMO energies of correct energy to allow electron and hole transfer. These experiments show that the oligothiophenes efficiently transfer optical energy between CdSe nanoparticles and could potentially be used as charge transfer junctions. - Highlights: • Ru bound thiophenes attached to CdSe nanoparticles. • Luminescence quenching of CdSe nanoparticles. • Molecular conjugates for photosensitized materials.
Computing n-dimensional volumes of complexes: Application to constructive entropy bounds
Energy Technology Data Exchange (ETDEWEB)
Beiu, V.; Makaruk, H.E.
1997-11-01
The constructive bounds on the needed number-of-bits (entropy) for solving a dichotomy (i.e., classification of a given data-set into two distinct classes) can be represented by the quotient of two multidimensional solid volumes. Exact methods for the calculation of the volume of the solids lead to a tighter lower bound on the needed number-of-bits--than the ones previously known. Establishing such bounds is very important for engineering applications, as they can improve certain constructive neural learning algorithms, while also reducing the area of future VLSI implementations of neural networks. The paper will present an effective method for the exact calculation of the volume of any n-dimensional complex. The method uses a divide-and-conquer approach by: (i) partitioning (i.e., slicing) a complex into simplices; and (ii) computing the volumes of these simplices. The slicing of any complex into a sum of simplices always exists, but it is not unique. This non-uniqueness gives us the freedom to choose that specific partitioning which is convenient for a particular case. It will be shown that this optimal choice is related to the symmetries of the complex, and can significantly reduce the computations involved.
Complexity of a Duopoly Game in the Electricity Market with Delayed Bounded Rationality
Directory of Open Access Journals (Sweden)
Junhai Ma
2012-01-01
Full Text Available According to a triopoly game model in the electricity market with bounded rational players, a new Cournot duopoly game model with delayed bounded rationality is established. The model is closer to the reality of the electricity market and worth spreading in oligopoly. By using the theory of bifurcations of dynamical systems, local stable region of Nash equilibrium point is obtained. Its complex dynamics is demonstrated by means of the largest Lyapunov exponent, bifurcation diagrams, phase portraits, and fractal dimensions. Since the output adjustment speed parameters are varied, the stability of Nash equilibrium gives rise to complex dynamics such as cycles of higher order and chaos. Furthermore, by using the straight-line stabilization method, the chaos can be eliminated. This paper has an important theoretical and practical significance to the electricity market under the background of developing new energy.
Pradhan, Prabhakar; Sahay, Peeyush; Almabadi, Huda M.
2016-01-01
Considering the complex reflection amplitude R=|R|exp(i{\\theta}) of a light wave, real delay time {\\tau}_r (i.e., sojourn or Wigner delay time), which is the energy derivative of the real phase ({\\tau}_r =d{\\theta}/cdk), and complex delay time {\\tau}_i , which is the energy derivative of the reflection coefficient ({\\tau}_i=d{\\theta}_i/cdk, |R|=r^1/2=exp(-{\\theta}_i)), have the same statistical form and a mirror image with a shift in time in weak disorder and short length regime. Real delay t...
Oteri, Francesco; Ciaccafava, Alexandre; de Poulpiquet, Anne; Baaden, Marc; Lojou, Elisabeth; Sacquin-Mora, Sophie
2014-06-21
[NiFe] hydrogenases from Aquifex aeolicus (AaHase) and Desulfovibrio fructosovorans (DfHase) have been mainly studied to characterize physiological electron transfer processes, or to develop biotechnological devices such as biofuel cells. In this context, it remains difficult to control the orientation of AaHases on electrodes to achieve a fast interfacial electron transfer. Here, we study the electrostatic properties of these two proteins based on microsecond-long molecular dynamics simulations that we compare to voltammetry experiments. Our calculations show weak values and large fluctuations of the dipole direction in AaHase compared to DfHase, enabling the AaHase to absorb on both negatively and positively charged electrodes, with an orientation distribution that induces a spread in electron transfer rates. Moreover, we discuss the role of the transmembrane helix of AaHase and show that it does not substantially impact the general features of the dipole moment.
Institute of Scientific and Technical Information of China (English)
Hua WANG
2016-01-01
In this paper, we first introduce Lσ 1-(log L)σ 2 conditions satisfied by the variable kernelsΩ (x, z) for 0 ≤ σ 1 ≤ 1 and σ 2 ≥ 0. Under these new smoothness conditions, we will prove the boundedness properties of singular integral operators TΩ , fractional integrals TΩ ,α and parametric Marcinkiewicz integralsμρΩ with variable kernels on the Hardy spaces Hp(Rn) and weak Hardy spaces WHp(Rn). Moreover, by using the interpolation arguments, we can get some corresponding results for the above integral operators with variable kernels on Hardy–Lorentz spaces Hp,q(Rn) for all p
Directory of Open Access Journals (Sweden)
Saeid Mokhtarian
2014-01-01
Full Text Available Despite extensive area of applications, simulation of complex wall bounded problems or any deformable boundary is still a challenge in a Dissipative Particle Dynamics simulation. This limitation is rooted in the soft force nature of DPD and the fact that we need to use an antipenetration model for escaped particles. In the present paper, we propose a new model of antipenetration which preserves the conservation of linear momentum on the boundaries and enables us to simulate complex and flexible boundaries. Finally by performing numerical simulations, we demonstrate the validity of our new model.
Bounds on the sample complexity for private learning and private data release
Energy Technology Data Exchange (ETDEWEB)
Kasiviswanathan, Shiva [Los Alamos National Laboratory; Beime, Amos [BEN-GURION UNIV.; Nissim, Kobbi [BEN-GURION UNIV.
2009-01-01
Learning is a task that generalizes many of the analyses that are applied to collections of data, and in particular, collections of sensitive individual information. Hence, it is natural to ask what can be learned while preserving individual privacy. [Kasiviswanathan, Lee, Nissim, Raskhodnikova, and Smith; FOCS 2008] initiated such a discussion. They formalized the notion of private learning, as a combination of PAC learning and differential privacy, and investigated what concept classes can be learned privately. Somewhat surprisingly, they showed that, ignoring time complexity, every PAC learning task could be performed privately with polynomially many samples, and in many natural cases this could even be done in polynomial time. While these results seem to equate non-private and private learning, there is still a significant gap: the sample complexity of (non-private) PAC learning is crisply characterized in terms of the VC-dimension of the concept class, whereas this relationship is lost in the constructions of private learners, which exhibit, generally, a higher sample complexity. Looking into this gap, we examine several private learning tasks and give tight bounds on their sample complexity. In particular, we show strong separations between sample complexities of proper and improper private learners (such separation does not exist for non-private learners), and between sample complexities of efficient and inefficient proper private learners. Our results show that VC-dimension is not the right measure for characterizing the sample complexity of proper private learning. We also examine the task of private data release (as initiated by [Blum, Ligett, and Roth; STOC 2008]), and give new lower bounds on the sample complexity. Our results show that the logarithmic dependence on size of the instance space is essential for private data release.
Response bounds for complex systems with a localised and uncertain nonlinearity
Butlin, T.
2016-12-01
Predicting the vibration response of complex nonlinear structures is a significant challenge: the response may involve many modes of the structure; nonlinearity precludes the use of efficient techniques developed for linear systems; and there is often uncertainty associated with the nonlinear law, even to the extent that its functional form is not always known. This paper builds on a recently developed method for handling this class of problem in a novel way. The method exploits the fact that nonlinearities are often spatially localised, and seeks the best- and worst-case system response with respect to a chosen metric by regarding the internal nonlinear force as an independent excitation to the underlying linear system. Constraints are used to capture what is thought to be known about the nonlinearity without needing to specify a particular law. This paper focuses on the case of systems with a single point nonlinearity but with arbitrarily complex underlying linear dynamics, driven by a sinusoidal force excitation. Semi-analytic upper and lower bounds are proposed for root-mean-square response metrics subject to constraints which specify that the nonlinearity should be a combination of (A) passive, (B) displacement-limited, and / or (C) force-saturating. The concept of 'equivalent linear bounds' is also introduced for cases where the response metric is thought to be dominated by the same frequency as the input. The bounds corresponding to a passive and displacement-limited nonlinearity are compared with Monte Carlo experimental and numerical results from an impacting beam test rig. The bounds corresponding to a passive and force-saturating nonlinearity are compared with numerical results for a friction-damped beam. The global upper and lower bounds are satisfied for all input frequencies but are generally found to be rather conservative. The 'equivalent linear bounds' show remarkably good agreement for predicting the range of root-mean-square velocity responses
Directory of Open Access Journals (Sweden)
2011-06-01
Full Text Available This study aims to evidence the formation of stable polyelectrolyte complex particles as colloidal dispersions using some weak polyelectrolytes: chitosan and poly(allylamine hydrochloride as polycations and poly(acrylic acid (PAA and poly(2-acrylamido-2-methylpropanesulfonic acid – co – acrylic acid (PAMPSAA as polyanions. Polyelectrolyte complex particles as colloidal dispersion were prepared by controlled mixing of the oppositely charged polymers, with a constant addition rate. The influences of the polyelectrolytes structure and the molar ratio between ionic charges on the morphology, size, and colloidal stability of the complex particles have been deeply investigated by turbidimetry, dynamic light scattering and atomic force microscopy. A strong influence of polyanion structure on the values of molar ratio n–/n+ when neutral complex particles were obtained has been noticed, which shifts from the theoretical value of 1.0, observed when PAA was used, to 0.7 for PAMPSAA based complexes. The polyions chain characteristics influenced the size and shape of the complexes, larger particles being obtained when chitosan was used, for the same polyanion, and when PAMPSAA was used, for the same polycation.
Brudnyi, A
2011-01-01
We develop the elements of complex function theory within certain algebras of holomorphic functions on coverings of complex manifolds (including holomorphic extension from complex submanifolds, properties of divisors, corona type theorem, holomorphic analogue of Peter-Weyl approximation theorem, Hartogs type theorem, characterization of the uniqueness sets, etc). Our model examples are: (1) algebra of Bohr's holomorphic almost periodic functions on tube domains (i.e. the uniform limits of exponential polynomials) (2) algebra of all fibrewise bounded holomorphic functions (arising in corona problem for H^\\infty) (3) algebra of holomorphic functions having fibrewise limits. Our proofs are based on the analogues of Cartan theorems A and B for coherent type sheaves on the maximal ideal spaces of these subalgebras.
A new upper bound on the query complexity for testing generalized Reed-Muller codes
Ron-Zewi, Noga
2012-01-01
Over a finite field $\\F_q$ the $(n,d,q)$-Reed-Muller code is the code given by evaluations of $n$-variate polynomials of total degree at most $d$ on all points (of $\\F_q^n$). The task of testing if a function $f:\\F_q^n \\to \\F_q$ is close to a codeword of an $(n,d,q)$-Reed-Muller code has been of central interest in complexity theory and property testing. The query complexity of this task is the minimal number of queries that a tester can make (minimum over all testers of the maximum number of queries over all random choices) while accepting all Reed-Muller codewords and rejecting words that are $\\delta$-far from the code with probability $\\Omega(\\delta)$. (In this work we allow the constant in the $\\Omega$ to depend on $d$.) In this work we give a new upper bound of $(c q)^{(d+1)/q}$ on the query complexity, where $c$ is a universal constant. In the process we also give new upper bounds on the "spanning weight" of the dual of the Reed-Muller code (which is also a Reed-Muller code). The spanning weight of a co...
Institute of Scientific and Technical Information of China (English)
Bin Wang; Jing Liu; Liang Jin; Xue-Ying Feng; Jian-Qun Chen
2010-01-01
Mutation and selection are two major forces causing codon usage biases. How these two forces influence the codon usages in green plant mitochondrial genomes has not been well investigated. In the present study, we surveyed five bryophyte mitochondrial genomes to reveal their codon usagepatterns as well as the determining forces. Three interesting findings were made. First, comparing to Chara vulgaris, an algal species sister to all extant land plants, bryophytes have more G, C-ending codon usages in their mitochondrial genes. This is consistent with the generally higher genomic GC content in bryophyte mitochondria, suggesting an increased mutational pressure toward GC. Second, as indicated by Wright's Nc-GC3s plot, mutation, not selection, is the major force affecting codon usages of bryophyte mitochondrial genes. However, the real mutational dynamics seem very complex. Context-dependent analysis indicated that nucleotide at the 2nd codon position would slightly affect synonymous codon choices. Finally, in bryophyte mitochondria, tRNA genes would apply a weak selection force to finetune the synonymous codon frequencies, as revealed by data of Ser4-Pro-Thr-Val families. In summary,complex mutation and weak selection together determined the codon usages in bryophyte mitochondrial genomes.
Mapping the UV Photophysics of Platinum Metal Complexes Bound to Nucleobases
Sen, Ananya; Dessent, Caroline
2015-03-01
We report the first UV laser spectroscopic study of isolated gas-phase complexes of Platinum metal complex anions bound to a nucleobase as model systems for exploring at the molecular level the key photophysical processes involved in photodynamic therapy. Spectra of the PtIV CN 6 2 - • Uracil and PtII CN 4 2 - • Uracil complexes were acquired across the 220 -320 nm range using mass-selective photodepletion and photofragment action spectroscopy. The spectra of both complexes reveal prominent UV absorption bands that we assign primarily to excitation of the Uracil π - π * localized chromophore. Distinctive UV photofragments are observed for the complexes, with PtIV CN 6 2 - • Uracil photoexcitation resulting in complex fission, while PtII CN 4 2 - • Uracil photoexcitation initiates a nucleobase proton-transfer reaction across 4.4 -5.2 eV and electron detachment above 5.2 eV. The observed photofragments are consistent with ultrafast decay of a Uracil localized excited state back to the electronic ground state followed by intramolecular vibrational relaxation and ergodic complex fragmentation. In addition, we present recent results to explore how the photophysics of the Platinum complex-nucleobase clusters evolves as a function of nucleobase. Results are presented for PtII CN 4 2 - • Uracil complexed to Cytosine, Thymine and Adenine, reveal distinctive decay dynamics which we attribute to the intrinsic decay dynamics of the nucleobase. JPC. Lett. 2014, 5, 3281 to 3285 and PCCP 2014, 16, 15490 to 15500.
Modeling of Wall-Bounded Complex Flows and Free Shear Flows
Shih, Tsan-Hsing; Zhu, Jiang; Lumley, John L.
1994-01-01
Various wall-bounded flows with complex geometries and free shear flows have been studied with a newly developed realizable Reynolds stress algebraic equation model. The model development is based on the invariant theory in continuum mechanics. This theory enables us to formulate a general constitutive relation for the Reynolds stresses. Pope was the first to introduce this kind of constitutive relation to turbulence modeling. In our study, realizability is imposed on the truncated constitutive relation to determine the coefficients so that, unlike the standard k-E eddy viscosity model, the present model will not produce negative normal stresses in any situations of rapid distortion. The calculations based on the present model have shown an encouraging success in modeling complex turbulent flows.
Bound anions differentially stabilize multiprotein complexes in the absence of bulk solvent.
Han, Linjie; Hyung, Suk-Joon; Mayers, Jonathan J S; Ruotolo, Brandon T
2011-07-27
The combination of ion mobility separation with mass spectrometry is an emergent and powerful structural biology tool, capable of simultaneously assessing the structure, topology, dynamics, and composition of large protein assemblies within complex mixtures. An integral part of the ion mobility-mass spectrometry measurement is the ionization of intact multiprotein complexes and their removal from bulk solvent. This process, during which a substantial portion of protein structure and organization is likely to be preserved, imposes a foreign environment on proteins that may cause structural rearrangements to occur. Thus, a general means must be identified to stabilize protein structures in the absence of bulk solvent. Our approach to this problem involves the protection of protein complex structure through the addition of salts in solution prior to desorption/ionization. Anionic components of the added salts bind to the complex either in solution or during the electrospray process, and those that remain bound in the gas phase tend to have high gas phase acidities. The resulting 'shell' of counterions is able to carry away excess energy from the protein complex ion upon activation and can result in significant structural stabilization of the gas-phase protein assembly overall. By using ion mobility-mass spectrometry, we observe both the dissociation and unfolding transitions for four tetrameric protein complexes bound to populations of 12 different anions using collisional activation. The data presented here quantifies, for the first time, the influence of a large range of counterions on gas-phase protein structure and allows us to rank and classify counterions as structure stabilizers in the absence of bulk solvent. Our measurements indicate that tartrate, citrate, chloride, and nitrate anions are among the strongest stabilizers of gas-phase protein structure identified in this screen. The rank order determined by our data is substantially different when compared to
Weak Interactions and CO_2 Microsolvation in the CIS-1,2-DIFLUOROETHYLENE...CO_2 Complex
Trendell, William; Peebles, Rebecca A.; Peebles, Sean A.
2017-06-01
The need for a deep understanding of CO_2 interactions is significant given the importance of supercritical CO_2 (sc-CO_2) as a green solvent. Fluorinated compounds often have higher solubility in sc-CO_2 than their hydrocarbon analogs, and the reasons for this are not well understood. Investigations of dimers of one CO_2 molecule with a simple fluorinated hydrocarbon provide an initial step towards understanding the complex balance of forces that is likely to be present as a larger solvation shell of sc-CO_2 is built. The weakly bound dimer cis-1,2-difluoroethylene...CO_2 is the latest in a series of complexes of CO_2 with fluorinated ethylenes that has recently been studied using chirped-pulse (CP) Fourier-transform microwave spectroscopy. Unlike all previous members of the series, the observed structure of cis-1,2-difluoroethylene...CO_2 is nonplanar, with CO_2 sitting above the ethylene plane and crossed relative to the C=C bond. This nonplanar arrangement is consistent with predictions made using symmetry adapted perturbation theory (SAPT), where the dispersion energy of the nonplanar structure is significantly more favorable than for a structure where CO_2 lies in the same plane as the ethylene moiety. Observed transitions are doubled as a result of CO_2 tunneling between equivalent positions above and below the ethylene plane, leading to inversion of the μ_c dipole moment component. Observed transitions for the most abundant isotopologue have been fitted to a two state Hamiltonian to give an energy difference between tunneling states of Δ E ≈ 333 MHz, and analysis using Meyer's one dimensional model to determine the barrier to inversion is presently in progress.
Weak Links The Universal Key to the Stability of Networks and Complex Systems
Csermely, Peter
2009-01-01
How can our societies be stabilized in a crisis? Why can we enjoy and understand Shakespeare? Why are fruitflies uniform? How do omnivorous eating habits aid our survival? What makes the Mona Lisa’s smile beautiful? How do women keep our social structures intact? – Could there possibly be a single answer to all these questions? This book shows that the statement: "weak links stabilize complex systems" provides the key to understanding each of these intriguing puzzles, and many others too. The author (recipient of several distinguished science communication prizes) uses weak (low affinity, low probability) interactions as a thread to introduce a vast variety of networks from proteins to economics and ecosystems. Many people, from Nobel Laureates to high-school students have helped to make the book understandable to all interested readers. This unique book and the ideas it develops will have a significant impact on many, seemingly diverse, fields of study. A very personal, engaging, and unique book that wil...
Bounded-Error Quantum State Identification and Exponential Separations in Communication Complexity
Gavinsky, D; Kempe, J; Regev, O; Gavinsky, Dmitry; Kempe, Julia; Regev, Oded; Wolf, Ronald de
2005-01-01
We consider the problem of bounded-error quantum state identification: given either state \\alpha_0 or state \\alpha_1, we are required to output `0', `1' or `?' ("don't know"), such that conditioned on outputting `0' or `1', our guess is correct with high probability. The goal is to maximize the probability of not outputting `?'. We prove a direct product theorem: if we're given two such problems, with optimal probabilities a and b, respectively, and the states in the first problem are pure, then the optimal probability for the joint bounded-error state identification problem is O(ab). Our proof is based on semidefinite programming duality and may be of wider interest. Using this result, we present two exponential separations in the simultaneous message passing model of communication complexity. Both are shown in the strongest possible sense. First, we describe a relation that can be computed with O(log n) classical bits of communication in the presence of shared randomness, but needs Omega(n^{1/3}) communicat...
Catalytic activity of polymer-bound Ru(III)–EDTA complex
Indian Academy of Sciences (India)
Mahesh K Dalal; R N Ram
2001-04-01
Chloromethylated styrene–divinylbenzene copolymer was chemically modified with ethylenediaminetetraacetic acid ligand. Catalytically active polymer containing Ru(III) moieties were synthesized from this polymeric ligand. They were characterized using FTIR, UV-vis, SEM, ESR and TGA. Other physico-chemical properties such as bulk density, surface area, moisture content and swelling behaviour in different solvents were also studied. The polymer bound complex was used to study hydrogenation of 1-hexene to -hexane under mild conditions. Influence of [1-hexene], [catalyst], temperature and nature of the solvent on the rate of the reaction was investigated. A rate expression is proposed based on the observed initial rate data. Recycling efficiency of the catalyst has also been studied.
Cassaignau, Anaïs M E; Launay, Hélène M M; Karyadi, Maria-Evangelia; Wang, Xiaolin; Waudby, Christopher A; Deckert, Annika; Robertson, Amy L; Christodoulou, John; Cabrita, Lisa D
2016-08-01
During biosynthesis on the ribosome, an elongating nascent polypeptide chain can begin to fold, in a process that is central to all living systems. Detailed structural studies of co-translational protein folding are now beginning to emerge; such studies were previously limited, at least in part, by the inherently dynamic nature of emerging nascent chains, which precluded most structural techniques. NMR spectroscopy is able to provide atomic-resolution information for ribosome-nascent chain complexes (RNCs), but it requires large quantities (≥10 mg) of homogeneous, isotopically labeled RNCs. Further challenges include limited sample working concentration and stability of the RNC sample (which contribute to weak NMR signals) and resonance broadening caused by attachment to the large (2.4-MDa) ribosomal complex. Here, we present a strategy to generate isotopically labeled RNCs in Escherichia coli that are suitable for NMR studies. Uniform translational arrest of the nascent chains is achieved using a stalling motif, and isotopically labeled RNCs are produced at high yield using high-cell-density E. coli growth conditions. Homogeneous RNCs are isolated by combining metal affinity chromatography (to isolate ribosome-bound species) with sucrose density centrifugation (to recover intact 70S monosomes). Sensitivity-optimized NMR spectroscopy is then applied to the RNCs, combined with a suite of parallel NMR and biochemical analyses to cross-validate their integrity, including RNC-optimized NMR diffusion measurements to report on ribosome attachment in situ. Comparative NMR studies of RNCs with the analogous isolated proteins permit a high-resolution description of the structure and dynamics of a nascent chain during its progressive biosynthesis on the ribosome.
Study of transient luminescence of three kinds of Ru complexes bound to DNA
Institute of Scientific and Technical Information of China (English)
ZHU WeiLing; LIU XueWen; WANG Hui; YU HuiJuan; LI AiZheng; CHAO Hui; ZHENG KangCheng; JI LiangNian
2008-01-01
The transient luminescence of three kinds of ruthenium complexes [Ru(bpy)2(7-CH3-dppz)]2+, [Ru(bpy)2(7-F-dppz)]2+ and [Ru(phen)2(7-F-dppz)]2+ bound to calf thy-mus DNA (ctDNA) has been studied by using the time-resolved spectroscopy. The results show that the luminescence is due to the radiative decay from the charge-transfer states to the ground state. By the Interaction with DNA, the radla-tiveless rate of the photoexcited Ru complex molecules decreases, which results In the increase of luminescence lifetime and efficiency. The structure of the Ru com-plex has an important impact on the interaction with DNA. The [Ru(bpy)2(7-CH3-dppz)]2+shows the longest luminescence lifetime (about 382 ns), while the [Ru(bpy)2(7-F-dppz)]2+ shows the shortest lifetime (about 65 ns). The possible origin of the luminescence dynamics is discussed.
Study of transient luminescence of three kinds of Ru complexes bound to DNA
Institute of Scientific and Technical Information of China (English)
2008-01-01
The transient luminescence of three kinds of ruthenium complexes [Ru(bpy)2(7-CH3-dppz)]2+, [Ru(bpy)2(7-F-dppz)]2+ and [Ru(phen)2(7-F-dppz)]2+ bound to calf thy-mus DNA (ctDNA) has been studied by using the time-resolved spectroscopy. The results show that the luminescence is due to the radiative decay from the charge-transfer states to the ground state. By the interaction with DNA, the radia-tiveless rate of the photoexcited Ru complex molecules decreases, which results in the increase of luminescence lifetime and efficiency. The structure of the Ru com-plex has an important impact on the interaction with DNA. The [Ru(bpy)2(7-CH3-dppz)]2+ shows the longest luminescence lifetime (about 382 ns), while the [Ru(bpy)2(7-F-dppz)]2+ shows the shortest lifetime (about 65 ns). The possible origin of the luminescence dynamics is discussed.
A reliable, delay bounded and less complex communication protocol for multicluster FANETs
Directory of Open Access Journals (Sweden)
Wajiya Zafar
2017-02-01
Full Text Available Recently, Flying Ad-hoc Networks (FANETs, enabling ad-hoc networking between Unmanned Aerial Vehicles (UAVs is gaining importance in several military and civilian applications. The sensitivity of the applications requires adaptive; efficient; delay bounded and scalable communication network among UAVs for data transmission. Due to communication protocol complexity; rigidity; cost of commercial-off-the-shelf (COT components; limited radio bandwidth; high mobility and computational resources; maintaining the desired level of Quality of Service (QoS becomes a daunting task. For the first time in this research we propose multicluster FANETs for efficient network management; the proposed scheme considerably reduces communication cost and optimizes network performance as well as exploit low power; less complex and low cost IEEE 802.15.4 (MAC protocol for intercluster and intracluster communication. In this research both beacon enabled mode and beaconless modes have been investigated with Guaranteed Time Slots (GTS and virtual Time Division Multiple Access (TDMA respectively. The methodology plays a key role towards reserving bandwidth for latency critical applications; eliminate collisions and medium access delays. Moreover analysis ad-hoc routing protocols including two proactive (OLSR, DSDV and one reactive (AODV is also presented. The results shows that the proposed scheme guarantees high packet delivery ratios while maintaining acceptable levels of latency requirements comparable with more complex and dedicatedly designed protocols in literature.
A direct product theorem for bounded-round public-coin randomized communication complexity
Jain, Rahul; Yao, Penghui
2012-01-01
In this paper, we show a direct product theorm in the model of two-party bounded-round public-coin randomized communication complexity. For a relation f subset of X times Y times Z (X,Y,Z are finite sets), let R^{(t), pub}_e (f) denote the two-party t-message public-coin communication complexity of f with worst case error e. We show that for any relation f and positive integer k: R^{(t), pub}_{1 - 2^{-Omega(k/t^2)}}(f^k) = Omega(k/t (R^{(t), pub}_{1/3}(f) - O(t^2))) . In particular, it implies a strong direct product theorem for the two-party constant-message public-coin randomized communication complexity of all relations f. Our result for example implies a strong direct product theorem for the pointer chasing problem. This problem has been well studied for understanding round v/s communication trade-offs in both classical and quantum communication protocols. We show our result using information theoretic arguments. Our arguments and techniques build on the ones used in [Jain 2011], where a strong direct pro...
Gou, Yi; Zhang, Yao; Qi, Jinxu; Zhou, Zuping; Yang, Feng; Liang, Hong
2015-03-01
We use Schiff-base salicylaldehyde benzoylhydrazone (HL) as the ligand for copper(II), resulting in the complexes [CuCl(L)]·H2O (C1), [CuNO3(L)]·H2O (C2) and [CuBr(L)]2 (C3). We characterize the Cu(II) compounds' interactions with human serum albumin (HSA) using fluorescence spectroscopy and molecular docking. These studies revealed that Cu(II) compounds propensity bound to IIA subdomain of HSA possible by hydrophobic interactions and hydrogen bond. Cu(II) compounds produce intracellular reactive oxygen species (ROS) in cancer cells. Complexes of HSA and copper(II) compounds enhance about 2-fold cytotoxicity in cancer cells but do not raise cytotoxicity levels in normal cells in vitro. Compared with C3 alone, HSA-C3 complex promotes HepG2 cell apoptosis and has a stronger capacity to promote cell cycle arrest at the G2/M phase of HepG2.
Structure of an Rrp6-RNA exosome complex bound to poly(A) RNA
Energy Technology Data Exchange (ETDEWEB)
Wasmuth, Elizabeth V.; Januszyk, Kurt; Lima, Christopher D. [MSKCC
2014-08-20
The eukaryotic RNA exosome processes and degrades RNA by directing substrates to the distributive or processive 3' to 5' exoribonuclease activities of Rrp6 or Rrp44, respectively. The non-catalytic nine-subunit exosome core (Exo9) features a prominent central channel. Although RNA can pass through the channel to engage Rrp44, it is not clear how RNA is directed to Rrp6 or whether Rrp6 uses the central channel. Here we report a 3.3 Å crystal structure of a ten-subunit RNA exosome complex from Saccharomyces cerevisiae composed of the Exo9 core and Rrp6 bound to single-stranded poly(A) RNA. The Rrp6 catalytic domain rests on top of the Exo9 S1/KH ring above the central channel, the RNA 3' end is anchored in the Rrp6 active site, and the remaining RNA traverses the S1/KH ring in an opposite orientation to that observed in a structure of a Rrp44-containing exosome complex. Solution studies with human and yeast RNA exosome complexes suggest that the RNA path to Rrp6 is conserved and dependent on the integrity of the S1/KH ring. Although path selection to Rrp6 or Rrp44 is stochastic in vitro, the fate of a particular RNA may be determined in vivo by the manner in which cofactors present RNA to the RNA exosome.
Nedukha, E. M.
The pyroantimonate method was used to study the localization of free and weakly bound calcium in cells of moss protonema of Funaria hygrometrica Hedw. cultivated on a clinostat (2 rev/min). Electroncytochemical study of control cells cultivated at 1 g revealed that granular precipitate marked chloroplasts, mitochondria, Golgi apparatus, lipid drops, nucleoplasma, nucleolus, nucleus membranes, cell walls and endoplasmic reticulum. In mitochondria the precipitate was revealed in stroma, in chloroplast it was found on thylakoids and envelope membranes. The cultivation of protonema on clinostat led to the intensification in cytochemical reaction product deposit. A considerable intensification of the reaction was noted in endomembranes, vacuoles, periplasmic space and cell walls. At the same time analysis of pectinase localization was made using the electroncytochemical method. A high reaction intensity in walls in comparison to that in control was found out to be a distinctive pecularity of the cells cultivated on clinostat. It testifies to the fact that increasing of freee calcium concentrations under conditions of clinostation is connected with pectinic substances hydrolysis and breaking of methoxy groups of pectins. Data obtained are discussed in relation to problems of possible mechanisms of disturbance in calcium balance of plant cells and the role of cell walls in gomeostasis of cell grown under conditions of simulated weighlessness.
DEFF Research Database (Denmark)
Laursen, Mette; Gregersen, Jonas Lindholt; Yatime, Laure
2015-01-01
Cardiotonic steroids (CTSs) are specific and potent inhibitors of the Na+,K+-ATPase, with highest affinity to the phosphoenzyme (E2P) forms. CTSs are comprised of a steroid core, which can be glycosylated, and a varying number of substituents, including a five- or six-membered lactone....... These functionalities have specific influence on the binding properties. We report crystal structures of the Na+,K+-ATPase in the E2P form in complex with bufalin (a nonglycosylated CTS with a six-membered lactone) and digoxin (a trisaccharide-conjugated CTS with a five-membered lactone) and compare...... of the lactone substituent determine the arrangement of αM4 and hypothesize that winding/unwinding of αM4 represents a trigger for high-affinity CTS binding. We find that the level of glycosylation affects the depth of CTS binding and that the steroid core substituent fine tune the configurationof transmembrane...
Multi-dimensional Rankings, Program Termination, and Complexity Bounds of Flowchart Programs
Alias, Christophe; Darte, Alain; Feautrier, Paul; Gonnord, Laure
Proving the termination of a flowchart program can be done by exhibiting a ranking function, i.e., a function from the program states to a well-founded set, which strictly decreases at each program step. A standard method to automatically generate such a function is to compute invariants for each program point and to search for a ranking in a restricted class of functions that can be handled with linear programming techniques. Previous algorithms based on affine rankings either are applicable only to simple loops (i.e., single-node flowcharts) and rely on enumeration, or are not complete in the sense that they are not guaranteed to find a ranking in the class of functions they consider, if one exists. Our first contribution is to propose an efficient algorithm to compute ranking functions: It can handle flowcharts of arbitrary structure, the class of candidate rankings it explores is larger, and our method, although greedy, is provably complete. Our second contribution is to show how to use the ranking functions we generate to get upper bounds for the computational complexity (number of transitions) of the source program. This estimate is a polynomial, which means that we can handle programs with more than linear complexity. We applied the method on a collection of test cases from the literature. We also show the links and differences with previous techniques based on the insertion of counters.
Ab initio potential energy surface and bound states for the Kr-OCS complex.
Feng, Eryin; Sun, Chunyan; Yu, Chunhua; Shao, Xi; Huang, Wuying
2011-09-28
The first ab initio potential energy surface of the Kr-OCS complex is developed using the coupled-cluster singles and doubles with noniterative inclusion of connected triples [CCSD(T)]. The mixed basis sets, aug-cc-pVTZ for the O, C, and S atom, and aug-cc-pVQZ-PP for the Kr atom, with an additional (3s3p2d1f) set of midbond functions are used. A potential model is represented by an analytical function whose parameters are fitted numerically to the single point energies computed at 228 configurations. The potential has a T-shaped global minimum and a local linear minimum. The global minimum occurs at R = 7.146 a(0), θ = 105.0° with energy of -270.73 cm(-1). Bound state energies up to J = 9 are calculated for three isotopomers (82)Kr-OCS, (84)Kr-OCS, and (86)Kr-OCS. Analysis of the vibrational wavefunctions and energies suggests the complex can exist in two isomeric forms: T-shaped and quasi-linear. The calculated transition frequencies and spectroscopic constants of the three isotopomers are in good agreement with the experimental values.
Institute of Scientific and Technical Information of China (English)
LIU Chang-he; SHANG You-lin; LI Zhen-guo
2015-01-01
We establish polynomial complexity bounds of the Mehrotra-type predictor-corrector algorithms for linear programming over symmetric cones. We first slightly modify the maximum step size in the predictor step of the safeguard based Mehrotra-type algorithm for linear programming, that was proposed by Salahi et al[18]. Then, using the machinery of Euclidean Jordan algebras, we extend the modified algorithm to symmetric cones. Based on the Nesterov-Todd direction, we obtain O(r logε−1) iteration complexity bound of this algorithm, where r is the rank of the Jordan algebras andεis the required precision. We also present a new variant of Mehrotra-type algorithm using a new adaptive updating scheme of centering parameter and show that this algorithm enjoys the same order of complexity bound as the safeguard algorithm. We illustrate the numerical behaviour of the methods on some small examples.
Shen, Bo; Wang, Zidong; Liu, Xiaohui
2011-01-01
In this paper, new synchronization and state estimation problems are considered for an array of coupled discrete time-varying stochastic complex networks over a finite horizon. A novel concept of bounded H(∞) synchronization is proposed to handle the time-varying nature of the complex networks. Such a concept captures the transient behavior of the time-varying complex network over a finite horizon, where the degree of bounded synchronization is quantified in terms of the H(∞)-norm. A general sector-like nonlinear function is employed to describe the nonlinearities existing in the network. By utilizing a time-varying real-valued function and the Kronecker product, criteria are established that ensure the bounded H(∞) synchronization in terms of a set of recursive linear matrix inequalities (RLMIs), where the RLMIs can be computed recursively by employing available MATLAB toolboxes. The bounded H(∞) state estimation problem is then studied for the same complex network, where the purpose is to design a state estimator to estimate the network states through available output measurements such that, over a finite horizon, the dynamics of the estimation error is guaranteed to be bounded with a given disturbance attenuation level. Again, an RLMI approach is developed for the state estimation problem. Finally, two simulation examples are exploited to show the effectiveness of the results derived in this paper.
Dpp-responsive silencers are bound by a trimeric Mad-Medea complex.
Gao, Sheng; Steffen, Janet; Laughon, Allen
2005-10-28
Transcriptional regulation by transforming growth factor-beta signaling is mediated by the Smad family of transcription factors. It is generally accepted that Smads must interact with other transcription factors to bind to their targets. However, recently it has been shown that a complex of the Drosophila Smad proteins, Mad and Medea, binds with high affinity to silencer elements that repress brinker and bag of marbles in response to Dpp signaling. Here we report that these silencers are bound by a heterotrimer containing two Mad subunits and one Medea subunit. We found that the MH1 domains of all three subunits contributed directly to sequence-specific DNA contact, thus accounting for the exceptionally high stability of the Smad-silencer complex. The Medea MH1 domain binds to a canonical Smad box (GTCT), whereas the Mad MH1 domains bind to a GC-rich sequence resembling Mad binding sites previously identified in Dpp-responsive enhancer elements. The consensus for this sequence, GRCGNC, differs from that of the canonical Smad box, but we found that Mad binding nonetheless required the same beta-hairpin amino acids that mediate base-specific contact with GTCT. Binding was also affected by alanine substitutions in Mad and Med at a subset of basic residues within and flanking helix 2, indicating a contribution to binding of the GRCGNC and GTCT sites. The slight alteration of the Dpp silencers caused them to activate transcription in response to Dpp signaling, indicating that the potential for Smad complexes to recognize specific targets need not be limited to repression.
Towards Intelligent Dynamic Deployment of Mobile Sensors in Complex Resource-Bounded Environments
Energy Technology Data Exchange (ETDEWEB)
Ng, B M; Hanley, W G
2007-05-08
Decision-making in the face of uncertainty requires an understanding of the probabilistic mechanisms that govern the complex behavior of these systems. This issue applies to many domains: financial investments, disease control, military planning and homeland security. In each of these areas, there is a practical need for efficient resource-bounded reasoning capabilities to support optimal decision-making. Specifically, given a highly complex system, with numerous random variables and their dynamic interactions, how do we monitor such a system and detect crucial events that might impact our decision making process? More importantly, how do we perform this reasoning efficiently--to an acceptable degree of accuracy in real time--when there are only limited computational power and sensory capabilities? These questions encapsulate nontrivial key issues faced by many high-profile Laboratory missions: the problem of efficient inference and dynamic sensor deployment for risk/uncertainty reduction. By leveraging solid ideas such as system decomposition into loosely coupled subsystems and smart resource allocation among these subsystems, we can parallelize inference and data acquisition for faster and improved computational performance. In this report, we propose technical approaches for developing algorithmic tools to enable future scientific and engineering endeavors to better achieve the optimal use of limited resources for maximal return of information on a complex system. The result of the proposed research effort will be an efficient reasoning framework that would enable mobile sensors to work collaboratively as teams of adaptive and responsive agents, whose joint goal is to gather useful information that would assist in the inference process.
The complexity of deciding whether a graph admits an orientation with fixed weak diameter
DEFF Research Database (Denmark)
Bensmail, Julien; Duvignau, Romaric; Kirgizov, Sergey
2016-01-01
An oriented graph G is said weak (resp. strong) if, for every pair {u,v} of vertices of G, there are directed paths joining u and v in either direction (resp. both directions). In case, for every pair of vertices, some of these directed paths have length at most k, we call G k-weak (resp. k-stron...
Potentiation of T Cell Stimulatory Activity by Chemical Fixation of a Weak Peptide-MHC Complex
Hwang, Inkyu; Kim, Kwangmi; Choi, Sojin; Lomunova, Maria
2017-01-01
The stability of peptide-MHC complex (pMHC) is an important factor to shape the fate of peptide-specific T cell immune response, but how it influences on T cell activation process is poorly understood. To better understand that, we investigated various T cell activation events driven by Ld MHCI loaded with graded concentrations of P2Ca and QL9 peptides, respectively, with 2C TCR Tg T cells; the binding strength of P2Ca for Ld is measurably weaker than that of QL9, but either peptides in the context of Ld interact with 2C TCR with a similar strength. When their concentrations required for early T cell activation events, which occur within several minutes to an hour, were concerned, EC50s of QL9 were about 100 folds lower than those of P2Ca, which was expected from their association constants for Ld. When EC50s for late activation events, which takes over several hours to occur, were concerned, the differences grew even larger (> 300 folds), suggesting that, due to weak binding, Ld/P2Ca dissociate from each other more easily to lose its antigenicity in a short time. Accordingly, fixation of Ld/P2Ca with paraformaldehyde resulted in a significant improvement in its immunogenicity. These results imply that binding strength of a peptide for a MHC is a critical factor to determine the duration of pMHC-mediated T cell activation and thus the attainment of productive T cell activation. It is also suggested that paraformaldehyde fixation should be an effective tool to ameliorate the immunogenicity of pMHC with a poor stability. PMID:28152301
Janssen, Dick B.; Counotte-Potman, Anda D.; Venrooij, Walther J. van
1976-01-01
Proteins present in messenger ribonucleoprotein particles were labeled with [35S]-methionine in Ehrlich ascites tumor cells in which synthesis of new ribosomes was inhibited. Poly(A)-protein complexes were isolated from free and membrane-bound polyribosomes by sucrose gradient centrifugation and aff
Fishchuk, A.V.; Groenenboom, G.C.; Avoird, A. van der
2006-01-01
Bound energy levels and properties of the Cl((2)p)-HF complex were obtained from full three-dimensional (3D) calculations, with the use of the ab initio computed diabatic potential surfaces from the preceding paper and the inclusion of spin-orbit coupling. For a better understanding of the dynamics
Carbon dioxide is tightly bound in the [Co(Pyridine)(CO{sub 2})]{sup −} anionic complex
Energy Technology Data Exchange (ETDEWEB)
Graham, Jacob D.; Buytendyk, Allyson M.; Zhang, Xinxing; Bowen, Kit H., E-mail: kbowen@jhu.edu [Department of Chemistry, Johns Hopkins University, Baltimore, Maryland 21218 (United States); Kim, Seong K. [Department of Chemistry, Seoul National University, Seoul 151-747 (Korea, Republic of)
2015-11-14
The [Co(Pyridine)(CO{sub 2})]{sup −} anionic complex was studied through the combination of photoelectron spectroscopy and density functional theory calculations. This complex was envisioned as a primitive model system for studying CO{sub 2} binding to negatively charged sites in metal organic frameworks. The vertical detachment energy (VDE) measured via the photoelectron spectrum is 2.7 eV. Our calculations imply a structure for [Co(Pyridine)(CO{sub 2})]{sup −} in which a central cobalt atom is bound to pyridine and CO{sub 2} moieties on either sides. This structure was validated by acceptable agreement between the calculated and measured VDE values. Based on our calculations, we found CO{sub 2} to be bound within the anionic complex by 1.4 eV.
Energy Technology Data Exchange (ETDEWEB)
Zolotovskii, I O; Korobko, D A; Okhotnikov, O G [Ulyanovsk State University, Ulyanovsk (Russian Federation); Gumenyuk, R V [Optoelectronics Research Center, Tampere University of Technology, Tampere (Finland)
2015-01-31
A numerical model of a soliton fibre laser with a semiconductor saturable absorber mirror (SESAM), characterised by the complex dynamics of absorption relaxation, is considered. It is shown that stationary bound states of pulses can be formed in this laser as a result of their interaction via the dispersion-wave field. The stability of stationary bound states of several pulses is analysed. It is shown that an increase in the number of pulses in a stationary bound state leads eventually to its decay and formation of a random bunch. It is found that the bunch stability is caused by the manifestation of nonlinear self-phase modulation, which attracts pulses to the bunch centre. The simulation results are in qualitative agreement with experimental data. (nonlinear optical phenomena)
Meiering, E M; Wagner, G
1995-03-24
The locations of long-lived bound water molecules in the binary complex of human dihydrofolate reductase (hDHFR) with methotrexate (MTX) and the ternary complex of hDHFR with MTX and NADPH have been investigated using 15N-resolved, three-dimensional ROESY-HMQC and NOESY-HSQC spectra acquired at 25 degrees C and 8 degrees C. NOEs with NH groups of the protein are detected for five bound water molecules in the binary complex and six bound water molecules in the ternary complex. Inspection of crystal structures of hDHFR reveals that the bound water molecules perform structural and functional roles in the complexes. Two water molecules located outside the active site, WatA and WatB, have similar NOEs in the binary and ternary complexes. These water molecules from multiple hydrogen bonds bridging loops and/or secondary structural elements in crystal structures of hDHFR and so stabilize the tertiary fold of the enzyme. Two water molecules in the active site, WatC and WatD, also have similar NOEs in both complexes. In crystal structures of hDHFR, WatC is involved in MTX binding by forming hydrogen bonds to the ligand and protein, while WatD stabilizes WatC by hydrogen bonding to it and the protein. A third active-site water molecule, WatE, has a markedly stronger NOE in the ternary complex than in the binary complex. Differences in the binding of WatE in the binary and ternary complexes are important for understanding the mechanism of DHFR, since this water molecule is believed to be involved in substrate protonation. Although the increased NOE intensity for WatE could be caused by a change in the position of water molecule, it may also be caused by an increase in its lifetime, since structural fluctuations in the active site are decreased upon cofactor binding. NOEs for one other water molecule, WatF, may be observed in the ternary complex but not the binary complex. WatF forms hydrogen bonds bridging the cofactor and the protein in crystal structures of hDHFR.
Selenolate complexes of CYP101 and the heme-bound hHO-1/H25A proximal cavity mutant.
Jiang, Yongying; Ortiz de Montellano, Paul R
2008-05-05
Thiolate and selenolate complexes of CYP101 (P450cam) and the H25A proximal cavity mutant of heme-bound human heme oxygenase-1 (hHO-1) have been examined by UV-vis spectroscopy. Both thiolate and selenolate ligands bound to the heme distal side in CYP101 and gave rise to characteristic hyperporphyrin spectra. Thiolate ligands also bound to the proximal side of the heme in the cavity created by the H25A mutation in hHO-1, giving a Soret absorption similar to that of the H25C hHO-1 mutant. Selenolate ligands also bound to this cavity mutant under anaerobic conditions but reduced the heme iron to the ferrous state, as shown by the formation of a ferrous CO complex. Under aerobic conditions, the selenolate ligand but not the thiolate ligand was rapidly oxidized. These results indicate that selenocysteine-coordinated heme proteins will not be stable species in the absence of a redox potential stabilizing effect.
Henthorn, Justin T; Lin, Sibo; Agapie, Theodor
2015-02-04
A series of π-bound Mo-quinonoid complexes supported by pendant phosphines have been synthesized. Structural characterization revealed strong metal-arene interactions between Mo and the π system of the quinonoid fragment. The Mo-catechol complex (2a) was found to react within minutes with 0.5 equiv of O(2) to yield a Mo-quinone complex (3), H(2)O, and CO. Si- and B-protected Mo-catecholate complexes also react with O(2) to yield 3 along with (R(2)SiO)n and (ArBO)(3) byproducts, respectively. Formally, the Mo-catecholate fragment provides two electrons, while the elements bound to the catecholate moiety act as acceptors for the O(2) oxygens. Unreactive by itself, the Mo-dimethyl catecholate analogue reduces O(2) in the presence of added Lewis acid, B(C(6)F(5))(3), to generate a Mo(I) species and a bis(borane)-supported peroxide dianion, [[(F(5)C(6))(3)B](2)O(2)(2-)], demonstrating single-electron-transfer chemistry from Mo to the O(2) moiety. The intramolecular combination of a molybdenum center, redox-active ligand, and Lewis acid reduces O(2) with pendant acids weaker than B(C(6)F(5))(3). Overall, the π-bound catecholate moiety acts as a two-electron donor. A mechanism is proposed in which O(2) is reduced through an initial one-electron transfer, coupled with transfer of the Lewis acidic moiety bound to the quinonoid oxygen atoms to the reduced O(2) species.
Tight complexity bounds for FPT subgraph problems parameterized by clique-width
Broersma, Hajo; Golovach, Petr A.; Patel, Viresh; Marx, D.; Rossmanith, P.
2012-01-01
We give tight algorithmic lower and upper bounds for some double-parameterized subgraph problems when the clique-width of the input graph is one of the parameters. Let G be an arbitrary input graph on n vertices with clique-width at most w. We prove the following results. The Dense (Sparse) k -Subgr
Improved bounds on the epidemic threshold of exact SIS models on complex networks
Ruhi, Navid Azizan
2017-01-05
The SIS (susceptible-infected-susceptible) epidemic model on an arbitrary network, without making approximations, is a 2n-state Markov chain with a unique absorbing state (the all-healthy state). This makes analysis of the SIS model and, in particular, determining the threshold of epidemic spread quite challenging. It has been shown that the exact marginal probabilities of infection can be upper bounded by an n-dimensional linear time-invariant system, a consequence of which is that the Markov chain is “fast-mixing” when the LTI system is stable, i.e. when equation (where β is the infection rate per link, δ is the recovery rate, and λmax(A) is the largest eigenvalue of the network\\'s adjacency matrix). This well-known threshold has been recently shown not to be tight in several cases, such as in a star network. In this paper, we provide tighter upper bounds on the exact marginal probabilities of infection, by also taking pairwise infection probabilities into account. Based on this improved bound, we derive tighter eigenvalue conditions that guarantee fast mixing (i.e., logarithmic mixing time) of the chain. We demonstrate the improvement of the threshold condition by comparing the new bound with the known one on various networks with various epidemic parameters.
A flow calculus of mwp-bounds for complexity analysis
DEFF Research Database (Denmark)
Jones, Neil; Kristiansen, Lars
2010-01-01
straightforwardly from our definitions that there exists M such that ⊧ C : M holds iff every value computed by C is bounded by a polynomial in the inputs. Furthermore, we provide a syntactical proof calculus and define the relation ⊢ C : M to hold iff there exists a derivation in the calculus where C...
Costa Florêncio, C.; Fernau, H.
2012-01-01
In Kanazawa (1998), the learnability of several parameterized families of categorial grammar classes was studied. These classes were shown to be learnable in the technical sense of identifiability in the limit from positive data. They are defined in terms of bounds on parameters of the grammars whic
A study on weak D and the function of the Rh complex in red blood cells
M.B. Hemker (Mirte)
2004-01-01
textabstractRhesus (Rh) is the most complex of the blood group systems. In this general introduction several aspects of Rh are described. The immunogenicity is responsible for its discovery and establishes its clinical importance. Subsequently the following characteristics of the Rh complex are
Directory of Open Access Journals (Sweden)
F. Valdés-Bango
2017-05-01
Full Text Available Hexagonal antidot arrays have been patterned on weak perpendicular magnetic anisotropy NdCo films by e-beam lithography and lift off. Domain structure has been characterized by Magnetic Force Microscopy at remanence. On a local length scale, of the order of stripe pattern period, domain configuration is controlled by edge effects within the stripe pattern: stripe domains meet the hole boundary at either perpendicular or parallel orientation. On a longer length scale, in-plane magnetostatic effects dominate the system: clear superdomains are observed in the patterned film with average in-plane magnetization along the easy directions of the antidot array, correlated over several antidot array cells.
Entrance Channel Stereospecificity of Photoinitiated H-Atom Reactions in Weakly Bonded Complexes
Shin, Seung Koo; Chen, Y.; Oh, D.; Wittig, C.
1990-08-01
Hot H-atom reactions photoinitiated in T-shaped CO2-HBr and nearly-linear CO2-HCl complexes show remarkably different reaction probabilities. Broadside H-atom approaches in CO2-HBr complexes are greatly favoured over the relatively endon approaches of CO2-HCl complexes, a striking steric effect. Photoinitiated hot H-atom reactions with N2O result in a much lower [NH]/[OH] ratio with N2O-HI complexes than under single-collision conditions at the same photolysis wavelength. In addition, OH rotational distributions differ markedly between bulk and complexed conditions, while NH rotational distributions are similar. These results can be interpreted in terms of entrance channel stereospecificity influencing chemically distinct product channels.
Line bundle twisted chiral de Rham complex and bound states of D-branes on toric manifolds
Energy Technology Data Exchange (ETDEWEB)
Parkhomenko, S.E., E-mail: spark@itp.ac.ru [Landau Institute for Theoretical Physics, 142432 Chernogolovka, Moscow region (Russian Federation); Moscow Institute of Physics and Technology, 141707 Dolgoprudny, Moscow region (Russian Federation)
2014-04-15
In this note we calculate elliptic genus in various examples of twisted chiral de Rham complex on two-dimensional toric compact manifolds and Calabi–Yau hypersurfaces in toric manifolds. At first the elliptic genus is calculated for the line bundle twisted chiral de Rham complex on a compact smooth toric manifold and K3 hypersurface in P{sup 3}. Then we twist chiral de Rham complex by sheaves localized on positive codimension submanifolds in P{sup 2} and calculate in each case the elliptic genus. In the last example the elliptic genus of chiral de Rham complex on P{sup 2} twisted by SL(N) vector bundle with instanton number k is calculated. In all the cases considered we find the infinite tower of open string oscillator contributions and identify directly the open string boundary conditions of the corresponding bound state of D-branes.
Optimizing the Readout of Lanthanide-DOTA Complexes for the Detection of Ligand-Bound Copper(I
Directory of Open Access Journals (Sweden)
Jill R. Hanna
2017-05-01
Full Text Available The CuAAC ‘click’ reaction was used to couple alkyne-functionalized lanthanide-DOTA complexes to a range of fluorescent antennae. Screening of the antenna components was aided by comparison of the luminescent output of the resultant sensors using data normalized to account for reaction conversion as assessed by IR. A maximum 82-fold enhanced signal:background luminescence output was achieved using a Eu(III-DOTA complex coupled to a coumarin-azide, in a reaction which is specific to the presence of copper(I. This optimized complex provides a new lead design for lanthanide-DOTA complexes which can act as irreversible ‘turn-on’ catalytic sensors for the detection of ligand-bound copper(I.
Lower Bound for the Communication Complexity of the Russian Cards Problem
Cyriac, Aiswarya
2008-01-01
In this paper it is shown that no public announcement scheme that can be modelled in Dynamic Epistemic Logic (DEL) can solve the Russian Cards Problem (RCP) in one announcement. Since DEL is a general model for any public announcement scheme we conclude that there exist no single announcement solution to the RCP. The proof demonstrates the utility of DEL in proving lower bounds for communication protocols.
Tight bounds for the space complexity of nonregular language recognition by real-time machines
Yakaryilmaz, Abuzer
2011-01-01
We examine the minimum amounts of useful memory for real-time, as opposed to one-way, computation using several different machine models. In most cases, we are able to show that the lower bounds established using arguments about one-way machines remain tight in the real-time case. It is shown that increasing the number of stacks of real-time pushdown automata can result in exponential improvement in the total amount of space usage for nonregular language recognition.
Structural insights into calcium-bound S100P and the V domain of the RAGE complex.
Directory of Open Access Journals (Sweden)
Srinivasa R Penumutchu
Full Text Available The S100P protein is a member of the S100 family of calcium-binding proteins and possesses both intracellular and extracellular functions. Extracellular S100P binds to the cell surface receptor for advanced glycation end products (RAGE and activates its downstream signaling cascade to meditate tumor growth, drug resistance and metastasis. Preventing the formation of this S100P-RAGE complex is an effective strategy to treat various disease conditions. Despite its importance, the detailed structural characterization of the S100P-RAGE complex has not yet been reported. In this study, we report that S100P preferentially binds to the V domain of RAGE. Furthermore, we characterized the interactions between the RAGE V domain and Ca(2+-bound S100P using various biophysical techniques, including isothermal titration calorimetry (ITC, fluorescence spectroscopy, multidimensional NMR spectroscopy, functional assays and site-directed mutagenesis. The entropy-driven binding between the V domain of RAGE and Ca(+2-bound S100P was found to lie in the micromolar range (Kd of ∼ 6 µM. NMR data-driven HADDOCK modeling revealed the putative sites that interact to yield a proposed heterotetrameric model of the S100P-RAGE V domain complex. Our study on the spatial structural information of the proposed protein-protein complex has pharmaceutical relevance and will significantly contribute toward drug development for the prevention of RAGE-related multifarious diseases.
Structural Insights into Calcium-Bound S100P and the V Domain of the RAGE Complex
Penumutchu, Srinivasa R.; Chou, Ruey-Hwang; Yu, Chin
2014-01-01
The S100P protein is a member of the S100 family of calcium-binding proteins and possesses both intracellular and extracellular functions. Extracellular S100P binds to the cell surface receptor for advanced glycation end products (RAGE) and activates its downstream signaling cascade to meditate tumor growth, drug resistance and metastasis. Preventing the formation of this S100P-RAGE complex is an effective strategy to treat various disease conditions. Despite its importance, the detailed structural characterization of the S100P-RAGE complex has not yet been reported. In this study, we report that S100P preferentially binds to the V domain of RAGE. Furthermore, we characterized the interactions between the RAGE V domain and Ca2+-bound S100P using various biophysical techniques, including isothermal titration calorimetry (ITC), fluorescence spectroscopy, multidimensional NMR spectroscopy, functional assays and site-directed mutagenesis. The entropy-driven binding between the V domain of RAGE and Ca+2-bound S100P was found to lie in the micromolar range (Kd of ∼6 µM). NMR data-driven HADDOCK modeling revealed the putative sites that interact to yield a proposed heterotetrameric model of the S100P-RAGE V domain complex. Our study on the spatial structural information of the proposed protein-protein complex has pharmaceutical relevance and will significantly contribute toward drug development for the prevention of RAGE-related multifarious diseases. PMID:25084534
Platinum(II) and platinum(IV) complexes stabilized by abnormal/mesoionic C4-bound dicarbenes.
Khlebnikov, Vsevolod; Heckenroth, Marion; Müller-Bunz, Helge; Albrecht, Martin
2013-03-28
Platinum(II) complexes comprising abnormal diimidazolylidene ligands were synthesized from cis-PtMe(2)(DMSO)(2) using microwave-assisted double C-H bond activation. NMR analysis revealed an unusual solvolysis process, induced by coordinating solvents such as DMSO and MeCN, which has not been observed in related normal dicarbene complexes. NMR and IR spectroscopy and crystallographic analysis of the mono-substituted DMSO complex indicate a sulfur-bonding of the DMSO ligand to the platinum(II) center. Analysis of the DMSO exchange kinetics provided for the first time a quantitative measure of the trans effect of abnormal carbene ligands. The kinetic exchange rate in these bidentate abnormal dicarbene complexes is 0.050(±2) s(-1) and thus similar to analogous platinum(II) complexes containing phenylpyridine, yet significantly slower than that induced by pyridylidene pyridine. Reaction of the dicarbene platinum(II) complexes with PhICl(2), Br(2) and I(2) afforded the corresponding platinum(IV) complexes. Linkage isomerism of the Pt(IV)-bound DMSO was observed when the bromination reaction was performed in DMSO solution. Moreover, solvolysis was less pronounced in the platinum(IV) complexes than in the corresponding platinum(II) analogues.
Lower bounds on the modified K-energy and complex deformations
Clarke, Andrew; Tipler, Carl
2013-01-01
Let (X,L) be a polarized K\\"ahler manifold that admits an extremal K\\"ahler metric in c1(L). We show that on a nearby polarized deformation that preserves the symmetry induced by the extremal vector field of (X,L), the modified K-energy is bounded from below. This generalizes a result of Chen, Sz\\'ekelyhidi and Tosatti to extremal metrics. Our proof also extends a convexity inequality on the space of K\\"ahler potentials due to X.X. Chen to the extremal metric setup. As an application, we comp...
Crystal structure of a CRISPR RNA-guided surveillance complex bound to a ssDNA target
Mulepati, Sabin; Héroux, Annie; Bailey, Scott
2015-01-01
In prokaryotes, RNA derived from type I and type III CRISPR loci direct large ribonucleoprotein complexes to destroy invading bacteriophage and plasmids. In Escherichia coli, this 405-kDa complex is called Cascade. Here we report the 3.03Å crystal structure of Cascade bound to a single-stranded DNA target. The structure reveals that the CRISPR RNA and target strands do not form a double helix but instead adopt an underwound ribbon-like structure. This non-canonical structure is facilitated by rotation of every sixth nucleotide out of the RNA-DNA hybrid and is stabilized by the highly interlocked organization of protein subunits. These studies provide insight into both the assembly and the activity of this complex and suggest a mechanism to enforce fidelity of target binding. PMID:25123481
Crystal Structure of a CRISPR RNA-guided Surveillance Complex Bound to a ssDNA Target
Energy Technology Data Exchange (ETDEWEB)
Mulepati, Sabin [Johns Hopkins Univ., Baltimore, MD (United States); Heroux, Annie; Bailey, Scott [Johns Hopkins Univ., Baltimore, MD (United States)
2014-09-19
In prokaryotes, RNA derived from type I and type III CRISPR loci direct large ribonucleoprotein complexes to destroy invading bacteriophage and plasmids. In Escherichia coli, this 405-kilodalton complex is called Cascade. We report the crystal structure of Cascade bound to a single-stranded DNA (ssDNA) target at a resolution of 3.03 angstroms. The structure reveals that the CRISPR RNA and target strands do not form a double helix but instead adopt an underwound ribbon-like structure. This noncanonical structure is facilitated by rotation of every sixth nucleotide out of the RNA-DNA hybrid and is stabilized by the highly interlocked organization of protein subunits. These studies provide insight into both the assembly and the activity of this complex and suggest a mechanism to enforce fidelity of target binding.
Mulepati, Sabin; Héroux, Annie; Bailey, Scott
2014-09-19
In prokaryotes, RNA derived from type I and type III CRISPR loci direct large ribonucleoprotein complexes to destroy invading bacteriophage and plasmids. In Escherichia coli, this 405-kilodalton complex is called Cascade. We report the crystal structure of Cascade bound to a single-stranded DNA (ssDNA) target at a resolution of 3.03 angstroms. The structure reveals that the CRISPR RNA and target strands do not form a double helix but instead adopt an underwound ribbon-like structure. This noncanonical structure is facilitated by rotation of every sixth nucleotide out of the RNA-DNA hybrid and is stabilized by the highly interlocked organization of protein subunits. These studies provide insight into both the assembly and the activity of this complex and suggest a mechanism to enforce fidelity of target binding.
Turbulence dependence on winds and stability in a weak-wind canopy sublayer over complex terrain
Russell, Eric S.; Liu, Heping; Gao, Zhongming; Lamb, Brian; Wagenbrenner, Natalie
2016-10-01
The daytime and nighttime turbulence profiles within a weak-wind forest canopy were investigated by using data collected within a temperate mixed conifer canopy in northern Idaho, USA. Turbulence measurements made at three heights on a single tower within a Douglas fir canopy were compared. Data were split between the daytime and nighttime to determine the relationships among the local temperature gradient, wind direction, wind speed, and turbulence levels. The total flow field distributions and vertical statistical profiles were determined for the overnight and daytime periods to observe how the overall flow changed with time of day. During the day, the wind probability distribution function was consistent between heights but depended on the canopy depth overnight. The skewness changed with the dominant wind direction. The kurtosis increased with depth into the canopy and from during the day to overnight. The range of wind speeds observed was higher under unstable conditions than stable conditions. Daytime turbulence had no dependence on wind direction. Overnight, the relationship between turbulence and wind speed changed with wind direction and canopy depth. The highest turbulence values were associated with downslope winds near the canopy top, but the wind direction for the highest turbulence was variable within the trunk space.
DEFF Research Database (Denmark)
Larsen, S L; Pedersen, L O; Buus, S;
1996-01-01
the exopeptidase Aminopeptidase N (APN, CD13) as one of the enzymes involved in the observed cell-surface antigen processing. The NH2-terminal end of the longer peptide could, even while bound to major histocompatibility complex (MHC) class II molecules, be digested by APN with dramatic consequences for T cell...... antigen recognition. This could be demonstrated both in cell-free systems using purified reagents and in cellular systems. Thus, MHC class II and APN may act in concert to generate the final T cell epitopes....
Institute of Scientific and Technical Information of China (English)
Chun-Hua Ge; Rui Zhang; Ping Fan; Xiang-Dong Zhang; Li-Juan Wang; Fang-Fang Wang
2013-01-01
The complex [Cd(tfbz)2(phen)]2 (1) (tfbz =2,4,5-trifluorobenzoate,phen =1,10-phenanthro-line) was synthesized using trifluorobenzoic acid ligand.The single-crystal structure of 1 has been determined by X-ray crystallography.The packing structure is characterized by the formation of an intricate three-dimensional supramolecular network that depends on the C-H…F,F…F, F(lp)…π (lp =lone pair) interactions.
Sudha, Govindarajan; Singh, Prashant; Swapna, Lakshmipuram S; Srinivasan, Narayanaswamy
2015-01-01
Residue types at the interface of protein–protein complexes (PPCs) are known to be reasonably well conserved. However, we show, using a dataset of known 3-D structures of homologous transient PPCs, that the 3-D location of interfacial residues and their interaction patterns are only moderately and poorly conserved, respectively. Another surprising observation is that a residue at the interface that is conserved is not necessarily in the interface in the homolog. Such differences in homologous complexes are manifested by substitution of the residues that are spatially proximal to the conserved residue and structural differences at the interfaces as well as differences in spatial orientations of the interacting proteins. Conservation of interface location and the interaction pattern at the core of the interfaces is higher than at the periphery of the interface patch. Extents of variability of various structural features reported here for homologous transient PPCs are higher than the variation in homologous permanent homomers. Our findings suggest that straightforward extrapolation of interfacial nature and inter-residue interaction patterns from template to target could lead to serious errors in the modeled complex structure. Understanding the evolution of interfaces provides insights to improve comparative modeling of PPC structures. PMID:26311309
msl2 mRNA is bound by free nuclear MSL complex in Drosophila melanogaster
Johansson, Anna-Mia; Allgardsson, Anders; Stenberg, Per; Larsson, Jan
2011-01-01
In Drosophila, the global increase in transcription from the male X chromosome to compensate for its monosomy is mediated by the male-specific lethal (MSL) complex consisting of five proteins and two non-coding RNAs, roX1 and roX2. After an initial sequence-dependent recognition by the MSL complex of 150–300 high affinity sites, the spread to the majority of the X-linked genes depends on local MSL-complex concentration and active transcription. We have explored whether any additional RNA species are associated with the MSL complex. No additional roX RNA species were found, but a strong association was found between a spliced and poly-adenylated msl2 RNA and the MSL complex. Based on our results, we propose a model in which a non-chromatin-associated partial or complete MSL-complex titrates newly transcribed msl2 mRNA and thus regulates the amount of available MSL complex by feedback. This represents a novel mechanism in chromatin structure regulation. PMID:21551218
Das, Pradip Kumar; Dey, Abhishek
2014-07-21
Resonance Raman (rR), electron paramagnetic resonance (EPR), and density functional theory (DFT) calculations of a phenolate-bound iron porphyrin complex are reported. The complex is found to exist in a five-coordinate high-spin state in a noncoordinating solvent and in a six-coordinate low-spin state in a coordinating solvent. The vibrations originating from the iron phenolate-bound chromophores reproduced those reported for heme tyrosine active sites in nature. The EPR parameters and iron-pyrrole (Fe-Npyr) vibrations of phenolate, thiolate, and imidazole ligated iron porphyrin complexes indicate that the phenolate axial ligand acts as a π anisotropic ligand, which is more covalent than a neutral imidazole ligand but less covalent than a thiolate axial ligand. While the Fe(III/II) potential of the phenolate compound in a noncoordinating solvent is 500 mV more negative than that of the imidazole-bound complex, it is also 110 mV more negative than that of the thiolate-bound complex. DFT calculations reproduce the geometry and vibrational frequencies and show that while both phenolate and thiolate axial ligands bear π and σ interaction with the ferric center, the former is significantly less covalent than the thiolate. The higher covalency of the thiolate ligand is responsible for the lower Fe-Npyr vibration and higher V/λ (from EPR) of the thiolate-bound complexes relative to those of the phenolate-bound complex, whereas the greater electrostatic stabilization of the Fe(III)-OPh bond is responsible for lowering the Fe(III/II) E° of the phenolate-bound complex relative to that of the thiolate-bound complex in a medium having a reasonable dielectric constant.
Catalytic Properties of Polymer-bound Imine Copper(Ⅱ) Complex
Institute of Scientific and Technical Information of China (English)
无
2001-01-01
@@ As heterogeneous catalyst, polymer metal complexes is stable in air, low corrosive, low toxic, easy to separate and reclaim,1,2 which superior than organic metal low-molecular complexes, so be paid close attention since 1960' and apply in industry gradually. There are many reports in polymer metal catalyst which is used in oxidation and hydrogenation3 In this paper, complexes of Cu(II) with polymer schiff base ligand: poly (dinitrobenzaldehyde aminating styrene)-Cu(PDNBA-Cu), poly(m-nitrobenzaldehyde aminating styrene)-Cu(PMNBA-Cu), poly(dihydroxybenzaldehyde aminating styrene)Cu(PDHBA-Cu), PDNBA-Cu-Phen were synthesized and characterized by FT-IR, XPS, GC-MS and element analysis. The results show that oxygen atom of hydroxide radical and nitrogen atom are both coordinating with Cu2+ and N:Cu≈ 1: 1. The results also show the complexes are well stability.
PARACEST properties of a dinuclear neodymium(III) complex bound to DNA or carbonate.
Nwe, Kido; Andolina, Christopher M; Huang, Ching-Hui; Morrow, Janet R
2009-07-01
A dinuclear Nd(III) macrocyclic complex of 1 (1,4-bis[1-(4,7,10-tris(carbamoylmethyl)-1,4,7,10-tetraazacyclododecane]-p-xylene) and mononuclear complexes of 1,4,7-tris-1,4,7,10-tetraazacyclododecane, 2, and 1,4,7-tris[(N-N-diethyl)carbamoylmethyl]-1,4,7,10-tetraazacyclododecane, 3, are prepared. Complexes of 1 and 2 give rise to a PARACEST (paramagnetic chemical exchange saturation transfer) peak from exchangeable amide protons that resonate approximately 12 ppm downfield from the bulk water proton resonance. The dinuclear Nd(III) complex is promising as a PARACEST contrast agent for MRI applications, because it has an optimal pH of 7.5 and the rate constant for amide proton exchange (2700 s(-1)) is nearly as large as it can be within slow exchange conditions with bulk water. Dinuclear Ln(2)(1) complexes (Ln(III) = Nd(III), Eu(III)) bind tightly to anionic ligands including carbonate, diethyl phosphate, and DNA. The CEST amide peak of Nd(2)(1) is enhanced by certain DNA sequences that contain hairpin loops, but decreases in the presence of diethyl phosphate or carbonate. Direct excitation luminescence studies of Eu(2)(1) show that double-stranded and hairpin-loop DNA sequences displace one water ligand on each Eu(III) center. DNA displaces carbonate ion despite the low dissociation constant for the Eu(2)(1) carbonate complex (K(d) = 15 microM). Enhancement of the CEST effect of a lanthanide complex by binding to DNA is a promising step toward the preparation of PARACEST agents containing DNA scaffolds.
Sydorenko, D; Kaganovich, I; Raitses, Y; Smolyakov, A
2009-10-02
A new regime of plasma-wall interaction is identified in particle-in-cell simulations of a hot plasma bounded by walls with secondary electron emission. Such a plasma has a strongly non-Maxwellian electron velocity distribution function and consists of bulk plasma electrons and beams of secondary electrons. In the new regime, the plasma sheath is not in a steady space charge limited state even though the secondary electron emission produced by the plasma bulk electrons is so intense that the corresponding partial emission coefficient exceeds unity. Instead, the plasma-sheath system performs relaxation oscillations by switching quasiperiodically between the space charge limited and non-space-charge limited states.
Energy Technology Data Exchange (ETDEWEB)
Zheng, Rui [School of Mathematics and Information Science, North China University of Water Resources and Electric Power, Zhengzhou (China); Key Laboratory of Magnetic Resonance in Biological Systems, State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Wuhan Centre for Magnetic Resonance, Wuhan Institute of Physics and Mathematics, Chinese Academy of Sciences, Wuhan (China); Li, Song, E-mail: lsong@yangtzeu.edu.cn [School of Physics and Optoelectronic Engineering, Yangtze University, Jingzhou (China); Chen, Shan-Jun; Chen, Yan [School of Physics and Optoelectronic Engineering, Yangtze University, Jingzhou (China); Zheng, Li-Min [Key Laboratory of Magnetic Resonance in Biological Systems, State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Wuhan Centre for Magnetic Resonance, Wuhan Institute of Physics and Mathematics, Chinese Academy of Sciences, Wuhan (China)
2015-09-08
Highlights: • A two-dimensional potential for Ar–BrCl is constructed at the CCSD(T) level. • The PES is characterized by three minima and two saddle points between them. • Bound state calculations were carried out for the complex. - Abstract: The intermolecular potential energy surface (PES) of the ground electronic state for the Ar–BrCl dimer is constructed at the CCSD(T) level with the aug-cc-pVQZ basis set and mid-bond functions. The PES is characterized by three minima and two saddle points. The global minimum corresponding to a collinear Ar–BrCl configuration, which has been observed experimentally, is located at R = 4.10 Å and θ = 2.5° with a well depth of −285.207 cm{sup −1}. A nearly T-shaped structure and an anti-linear Ar–ClBr geometry is also predicted. The bound state calculations are preformed to study intermolecular vibrational modes, rotational levels and average structures for the complex. Our transition frequencies, spectroscopic constants and average structures for all isotopomers of the collinear isomer agree well with experimental data. We have also provided pure rotational transitional frequencies for both nearly T-shaped and anti-linear isomers. These results are significant for further experimental investigations of the Ar–BrCl dimer.
Functional implications of pigments bound to a cyanobacterial cytochrome b6f complex.
Wenk, Stephan-Olav; Schneider, Dirk; Boronowsky, Ute; Jäger, Cornelia; Klughammer, Christof; de Weerd, Frank L; van Roon, Henny; Vermaas, Wim F J; Dekker, Jan P; Rögner, Matthias
2005-01-01
A highly purified cytochrome b(6)f complex from the cyanobacterium Synechocystis sp. PCC 6803 selectively binds one chlorophyll a and one carotenoid in analogy to the recent published structure from two other b(6)f complexes. The unknown function of these pigments was elucidated by spectroscopy and site-directed mutagenesis. Low-temperature redox difference spectroscopy showed red shifts in the chlorophyll and carotenoid spectra upon reduction of cytochrome b(6), which indicates coupling of these pigments with the heme groups and thereby with the electron transport. This is supported by the correlated kinetics of these redox reactions and also by the distinct orientation of the chlorophyll molecule with respect to the heme cofactors as shown by linear dichroism spectroscopy. The specific role of the carotenoid echinenone for the cytochrome b(6)f complex of Synechocystis 6803 was elucidated by a mutant lacking the last step of echinenone biosynthesis. The isolated mutant complex preferentially contained a carotenoid with 0, 1 or 2 hydroxyl groups (most likely 9-cis isomers of beta-carotene, a monohydroxy carotenoid and zeaxanthin, respectively) instead. This indicates a substantial role of the carotenoid - possibly for strucure and assembly - and a specificity of its binding site which is different from those in most other oxygenic photosynthetic organisms. In summary, both pigments are probably involved in the structure, but may also contribute to the dynamics of the cytochrome b(6)f complex.
Dearnley, Megan; Reynolds, Nicholas P; Cass, Peter; Wei, Xiaohu; Shi, Shuning; Mohammed, A Aalam; Le, Tam; Gunatillake, Pathiraja; Tizard, Mark L; Thang, San H; Hinton, Tracey M
2016-11-14
The translation of siRNA into clinical therapies has been significantly delayed by issues surrounding the delivery of naked siRNA to target cells. Here we investigate siRNA delivery by cationic acrylic polymers developed by Reversible Addition-Fragmentation chain Transfer (RAFT) mediated free radical polymerization. We investigated cell uptake and gene silencing of a series of siRNA-star polymer complexes both in the presence and absence of a protein "corona". Using a multidisciplinary approach including quantitative nanoscale mechanical-atomic force microscopy, dynamic light scattering and nanoparticle tracking analysis we have characterized the nanoscale morphology, stiffness, and surface charge of the complexes with and without the protein corona. This is one of the first examples of a comprehensive physiochemical analysis of siRNA-polymer complexes being performed alongside in vitro biological assays, allowing us to describe a set of desirable physical features of cationic polymer complexes that promote gene silencing. Multifaceted studies such as this will improve our understanding of structure-function relationships in nanotherapeutics, facilitating the rational design of polymer-mediated siRNA delivery systems for novel treatment strategies.
A Polycomb complex remains bound through DNA replication in the absence of other eukaryotic proteins
Lengsfeld, Bettina M.
2012-09-17
Propagation of chromatin states through DNA replication is central to epigenetic regulation and can involve recruitment of chromatin proteins to replicating chromatin through interactions with replication fork components. Here we show using a fully reconstituted T7 bacteriophage system that eukaryotic proteins are not required to tether the Polycomb complex PRC1 to templates during DNA replication. Instead, DNA binding by PRC1 can withstand passage of a simple replication fork.
The morphogenetic MreBCD proteins of Escherichia coli form an essential membrane-bound complex
DEFF Research Database (Denmark)
Kruse, Thomas; Bork-Jensen, Jette; Gerdes, Kenn
2005-01-01
MreB proteins of Escherichia coli, Bacillus subtilis and Caulobacter crescentus form actin-like cables lying beneath the cell surface. The cables are required to guide longitudinal cell wall synthesis and their absence leads to merodiploid spherical and inflated cells prone to cell lysis. In B...... on these and other observations we propose a model in which the membrane-associated MreBCD complex directs longitudinal cell wall synthesis in a process essential to maintain cell morphology....
Dubey, Rashmi; Prasad, Ranjan
2014-03-01
A serine protease of Streptomyces peucetius is found in association with daunorubicin in the culture filtrate and co-purifies as a complex as reported earlier by us (Dubey et al., 2013). The same protease was purified without drug attachment from dpsA(-) mutant of S. peucetius, which does not produce daunorubicin. Drug-protein complex was made in vitro by mixing daunorubicin and the protease. Spectral analysis and circular dichroism (CD) analysis were employed to determine the interaction between daunorubicin and the protease. Our study showed that interaction of daunorubicin with the protease affects the spectral characteristics of the drug and changes the secondary structure of the protein. Thin layer chromatography (TLC) analysis showed that the drug-protein interaction results in partial conversion of the drug to aglyconic form. The complex formation implies sequestration of the drug when it attains potentially lethal level in the extracellular milieu of S. peucetius culture. Copyright © 2013 Elsevier B.V. All rights reserved.
El-Khatib, Fatima; Cahier, Benjamin; López-Jordà, Maurici; Guillot, Régis; Rivière, Eric; Hafez, Hala; Saad, Zeinab; Girerd, Jean-Jacques; Guihéry, Nathalie; Mallah, Talal
2017-09-05
The preparation of a binuclear Ni(II) complex with a pentacoordinate environment using a cryptand organic ligand and the imidazolate bridge is reported. The coordination sphere is close to trigonal bipyramidal (tbp) for one Ni(II) and to square pyramidal (spy) for the other. The use of the imidazolate bridge that undergoes π-π stacking with two benzene rings of the chelating ligand induces steric hindrance that stabilizes the pentacoordinate environment. Magnetic measurements together with theoretical studies of the spin states energy levels allow fitting the data and reveal a large Ising-type anisotropy and a weak anti-ferromagnetic exchange coupling between the metal ions. The magnitude and the nature of the magnetic anisotropy and the difference in anisotropy between the two metal ions are rationalized using wave-function-based calculations. We show that a slight distortion of the coordination sphere of Ni(II) from spy to tbp leads to an Ising-type anisotropy. Broken-symmetry density functional calculations rationalize the weak anti-ferromagnetic exchange coupling through the imidazolate bridge.
Institute of Scientific and Technical Information of China (English)
YUE Cheng-Yang; JIANG Fei-Long; FENG Rui; HONG Mao-Chun
2008-01-01
The title complex cis-bis(tetrahydrothiophene)-bis(nitrate) platinum(II), (tht)2Pt(NO3)2, was the reducing product from potassium hexachloroplatinate(IV) K2PtCl6 where the platinum is tetra-valenced. Crystal data for C8H16N2O6PtS2: monoclinic, space group P21/c, a = 9.8833(5), b = 8.6744(4), c = 18.6407(9) (A), β = 114.401(3)°, V = 1455.35(12) (A)3, Z = 4, Mr = 495.44, Dc = 2.261 g/cm3, F(000) = 944, μ = 9.950 mm-1, λ(MoKα) = 0.71073 (A), T = 293(2) K, 2θmax = 54.96o, GOOF = 1.033, R = 0.0350 and wR = 0.0785 for 2572 observed reflections with I > 2σ(I). X-ray diffraction studies reveal that the title complex has interesting weak metal-metal interactions and two molecules linked by metal-metal interaction exist as a group. Luminescent spectrum illuminates red emission of the complex at room temperature.
Wright, A. D.; Chapes, S. K.
1999-01-01
The mechanism of how superantigens function to activate cells has been linked to their ability to bind and cross-link the major histocompatibility complex class II (MHCII) molecule. Cells that lack the MHCII molecule also respond to superantigens, however, with much less efficiency. Therefore, the purpose of this study was to confirm that staphylococcal enterotoxin A (SEA) could bind the MHCI molecule and to test the hypothesis that cross-linking SEA bound to MHCII-deficient macrophages would induce a more robust cytokine response than without cross-linking. We used a capture enzyme-linked immunosorbent assay and an immunprecipitation assay to directly demonstrate that MHCI molecules bind SEA. Directly cross-linking MHCI using monoclonal antibodies or cross-linking bound SEA with an anti-SEA antibody or biotinylated SEA with avidin increased TNF-alpha and IL-6 secretion by MHCII(-/-) macrophages. The induction of a vigorous macrophage cytokine response by SEA/anti-SEA cross-linking of MHCI offers a mechanism to explain how MHCI could play an important role in superantigen-mediated pathogenesis. Copyright 1999 Academic Press.
Energy Technology Data Exchange (ETDEWEB)
Fortenberry, Ryan C. [Department of Chemistry, Georgia Southern University, Statesboro, GA 30460 (United States); Francisco, Joseph S. [Department of Chemistry, University of Nebraska-Lincoln, Lincoln, Nebraska 68588 (United States); Lee, Timothy J., E-mail: rfortenberry@georgiasouthern.edu [NASA Ames Research Center, Moffett Field, CA 94035-1000 (United States)
2016-03-10
Proton-bound complexes have been hypothesized as further means of detecting the nitrogen molecule in the interstellar medium. The study of such complexes has largely been hindered by the necessary experimental setups utilized or by their difficulty in producing and/or analyzing computed potential energy surfaces. Here the NN–HCO{sup +} proton-bound complex is analyzed via quartic force fields (QFFs). While QFFs have produced meaningful results for other proton-bound complexes, they have been hindered by double-well potentials or flat potential surfaces. NN–HCO{sup +} is not affected by these constraints. This strongly dipolar (3.63 D) molecule can be observed rotationally unlike the more heavily analyzed OCHCO{sup +} and NNHNN{sup +} proton-bound complexes. Additionally, the large absorption feature corresponding to the proton motion, a hallmark of proton-bound complexes, is much higher in frequency at 2547.1 cm{sup −1}, changing the range of experimental observation for the bright frequency. NN–HCO{sup +} is hypothesized to be present in protoplanetary disks where N{sub 2}H{sup +} and CO are known. As such, it may help to influence the nitrogen budget of planet-forming astronomical regions.
Kumar, Challa V; Duff, Michael R
2008-12-01
Specific donor and acceptor pairs have been assembled in bovine serum albumin (BSA), at neutral pH and room temperature, and these dye-protein complexes indicated efficient donor to acceptor singlet-singlet energy transfer. For example, pyrene-1-butyric acid served as the donor and Coumarin 540A served as the acceptor. Both the donor and the acceptor bind to BSA with affinity constants in excess of 2x10(5) M(-1), as measured in absorption and circular dichroism (CD) spectral titrations. Simultaneous binding of both the donor and the acceptor chromophores was supported by CD spectra and one chromophore did not displace the other from the protein host, even when limited concentrations of the host were used. For example, a 1:1:1 complex between the donor, acceptor and the host can be readily formed, and spectral data clearly show that the binding sites are mutually exclusive. The ternary complexes (two different ligands bound to the same protein molecule) provided opportunities to examine singlet-singlet energy transfer between the protein-bound chromophores. Donor emission was quenched by the addition of the acceptor, in the presence of limited amounts of BSA, while no energy transfer was observed in the absence of the protein host, under the same conditions. The excitation spectra of the donor-acceptor-host complexes clearly show the sensitization of acceptor emission by the donor. Protein denaturation, as induced by the addition of urea or increasing the temperature to 360 K, inhibited energy transfer, which indicate that protein structure plays an important role. Sensitization also proceeded at low temperature (77 K) and diffusion of the donor or the acceptor is not required for energy transfer. Stern-Volmer quenching plots show that the quenching constant is (3.1+/-0.2)x10(4) M(-1), at low acceptor concentrations (albumins such as human and porcine proteins also served as good hosts for the above experiments. For the first time, non-natural systems have been self
Directory of Open Access Journals (Sweden)
Marcela Ribeiro Gasparini
Full Text Available Despite our current knowledge of the immunology, pathology, and genetics of Anaplasma marginale, prevention in cattle is currently based on old standbys, including live attenuated vaccines, antibiotic treatment, and maintaining enzootic stability in cattle herds. In the present study, we evaluated the use of an immunostimulant complex (ISCOMATRIX adjuvant, associated with a pool of recombinant major surface proteins (rMSP1a, rMSP1b, rMSP4 and rMSP5 to improve the humoral immune response triggered in calves mainly by IgG2. Ten calves were divided in three groups: 4 calves were inoculated with the ISCOMATRIX/rMSPs (G1; 2 calves were inoculated with ISCOMATRIX adjuvant (G2; and 4 calves received saline (G3. Three inoculations were administered at 21-day intervals. In G1, the calves showed significant increases in total IgG, IgG1 and IgG2 levels 21 days after the second inoculation, compared to the control group (p < 0.05, and G1 calves remained above the cut-off value 28 days after the third inoculation (p < 0.05. The post-immunized sera from calves in G1 reacted specifically for each of the rMSPs used. In conclusion, the ISCOMATRIX/rMSPs induced antigen-specific seroconversion in calves. Therefore, additional testing to explore the protection induced by rMSPs, both alone and in conjunction with proteins previously identified as subdominant epitopes, is warranted.
1993-01-01
The structure of a neutralizing immunoglobulin (monoclonal antibody mAb17-IA), bound to human rhinovirus 14 (HRV14), has been determined by cryo-electron microscopy and image reconstruction. The antibody bound bivalently across icosahedral twofold axes of the virus, and there were no detectable conformational changes in the capsid. Thus, bivalently bound IgGs do not appear to cause gross deformations in the capsid. Differences between the electron density of the constant domains of the bound ...
Garino, Claudio; Gobetto, Roberto; Nervi, Carlo; Salassa, Luca; Rosenberg, Edward; Ross, J B Alexander; Chu, Xi; Hardcastle, Kenneth I; Sabatini, Cristiana
2007-10-15
The complex [Ru(tpy)(CO)(2)TFA]+[PF(6)]- (where tpy = 2,2':6',2' '-terpyridine and TFA = CF(3)CO(2)-) (1) has been synthesized and fully characterized spectroscopically. The X-ray structure of the complex has been determined. The photopysical properties of the ruthenium complex and the free ligand tpy have been investigated at room temperature and at 77 K in acetonitrile solution and in the solid state. Their electronic spectra are highly influenced by intermolecular stacking interactions, both in solution and in the solid state. Density functional theory (DFT) and time-dependent DFT (TDDFT) calculations have been performed to characterize the electronic structure and the excited states of [Ru(tpy)(CO)(2)TFA]+[PF(6)]- and tpy. TDDFT calculations on three different conformations of free ligand have been performed as well. Absorption and emission spectra of tpy have been studied at different temperatures and concentrations in order to have a better understanding of this ruthenium derivative's properties. The absorption spectrum of 1 is characterized by metal-perturbed ligand-centered (LC) bands in the UV region. No metal-to-ligand charge transfer (MLCT) bands are observed in the visible for the complex. Only at high concentrations (10(-4) M) does a very weak band appear at 470 nm. At 77 K and low concentrations, solutions of 1 exhibit a major 3LC emission band centered at 468 nm (21.4 x 10(-3) cm(-1)). When the concentration of the complex is increased, an unstructured narrow emission at 603 nm (16.6 x 10(-3) cm(-1)), with a lifetime of 10 micros, dominates the emission spectrum in glassy acetonitrile. This emission originates from a pi-pi stacked dimeric (or oligomeric) species. TDDFT calculations performed on a tail-to-tail dimer structure, similar to that seen in the solid state, ascribe the transition to a triplet excited state, where intermolecular metal (d) --> ligand (pi*, polypyridine) charge transfer occurs. A good estimate of the transition energy is also
Gilliam, Brooke E; Reed, Melinda R; Chauhan, Anil K; Dehlendorf, Amanda B; Moore, Terry L
2011-01-01
Immune complexes (ICs) from sera of juvenile idiopathic arthritis (JIA) patients show increased complement opsonisation; however, a definitive role for involvement of the classical or alternative pathway is not entirely clear. To delineate the role of these pathways, we measured activated complement products bound to circulating IC (CICs) in the sera of JIA patients. Sera from 100 JIA patients and 22 healthy children were collected. C1q, C4, C3, C3d, and membrane attack complex (MAC) bound to CICs were measured by enzyme-linked immunosorbent assay. Data was compared to IgM rheumatoid factor (RF), IgG anti-cyclic citrullinated peptide (CCP) antibodies, C-reactive protein (CRP), and erythrocyte sedimentation rate (ESR) levels. Mean levels of C1q, C4, and MAC bound to CICs were significantly elevated in JIA patients compared to healthy children. C1q correlated significantly with C4 and MAC bound to CICs and C4 and MAC also demonstrated significant correlation. No significant differences were noted in complement components bound to CICs when evaluating IgM RF, anti-CCP antibody, and CRP positivity. A significant correlation was noted between MAC bound to CICs and ESR. C1q and MAC bound to CICs mean levels were significantly higher in patients with an elevated ESR compared to those with a normal ESR level. JIA patients have elevated levels of complement components bound to CICs, particularly from the classical pathway. Moreover, classical pathway components were associated with ESR, a marker of disease activity. MAC bound to CICs also correlated significantly with ESR, further supporting the notion of complement-mediated tissue injury that is triggered by IC-mediated classical pathway activation.
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Xiaojun Tao
Full Text Available Nanoparticle (NP compositions such as hydrophobicity and surface charge are vital to determine the presence and amount of human serum albumin (HSA binding. The HSA binding influences drug release, biocompatibility, biodistribution, and intercellular trafficking of nanoparticles (NPs. Here, we prepared 2 kinds of nanomaterials to investigate HSA binding and evaluated drug release of HSA-bound NPs. Polysaccharides (pullulan carboxyethylated to provide ionic derivatives were then conjugated to cholesterol groups to obtain cholesterol-modified carboxyethyl pullulan (CHCP. Cholesterol-modified pullulan (CHP conjugate was synthesized with a similar degree of substitution of cholesterol moiety to CHCP. CHCP formed self-aggregated NPs in aqueous solution with a spherical structure and zeta potential of -19.9 ± 0.23 mV, in contrast to -1.21 ± 0.12 mV of CHP NPs. NPs could quench albumin fluorescence intensity with maximum emission intensity gradually decreasing up to a plateau at 9 to 12 h. Binding constants were 1.12 × 10(5 M(-1 and 0.70 × 10(5 M(-1 to CHP and CHCP, respectively, as determined by Stern-Volmer analysis. The complexation between HSA and NPs was a gradual process driven by hydrophobic force and inhibited by NP surface charge and shell-core structure. HSA conformation was altered by NPs with reduction of α-helical content, depending on interaction time and particle surface charges. These NPs could represent a sustained release carrier for mitoxantrone in vitro, and the bound HSA assisted in enhancing sustained drug release.
Energy Technology Data Exchange (ETDEWEB)
Pampa, K.J., E-mail: sagarikakj@gmail.com [Department of Studies in Microbiology, University of Mysore, Mysore 570 006 (India); Lokanath, N.K. [Department of Studies in Physics, University of Mysore, Mysore 570 006 (India); Girish, T.U. [Department of General Surgery, JSS Medical College and Hospital, JSS University, Mysore 570 015 (India); Kunishima, N. [Advanced Protein Crystallography Research Group, RIKEN SPring-8 Center, Harima Institute, Hyogo 679-5148 (Japan); Rai, V.R. [Department of Studies in Microbiology, University of Mysore, Mysore 570 006 (India)
2014-10-24
Highlights: • Determined the structure of UDP-D-ManNAcADH to a resolution of 1.55 Å. • First complex structure of PhUDP-D-ManNAcADH with UDP-D-ManMAcA. • The monomeric structure consists of three distinct domains. • Cys258 acting as catalytic nucleophilic and Lys204 acts as acid/base catalyst. • Oligomeric state plays an important role for the catalytic function. - Abstract: UDP-N-acetyl-D-mannosamine dehydrogenase (UDP-D-ManNAcDH) belongs to UDP-glucose/GDP-mannose dehydrogenase family and catalyzes Uridine-diphospho-N-acetyl-D-mannosamine (UDP-D-ManNAc) to Uridine-diphospho-N-acetyl-D-mannosaminuronic acid (UDP-D-ManNAcA) through twofold oxidation of NAD{sup +}. In order to reveal the structural features of the Pyrococcus horikoshii UDP-D-ManNAcADH, we have determined the crystal structure of the product-bound enzyme by X-ray diffraction to resolution of 1.55 Å. The protomer folds into three distinct domains; nucleotide binding domain (NBD), substrate binding domain (SBD) and oligomerization domain (OD, involved in the dimerization). The clear electron density of the UDP-D-ManNAcA is observed and the residues binding are identified for the first time. Crystal structures reveal a tight dimeric polymer chains with product-bound in all the structures. The catalytic residues Cys258 and Lys204 are conserved. The Cys258 acts as catalytic nucleophile and Lys204 as acid/base catalyst. The product is directly interacts with residues Arg211, Thr249, Arg244, Gly255, Arg289, Lys319 and Arg398. In addition, the structural parameters responsible for thermostability and oligomerization of the three dimensional structure are analyzed.
Tao, Xiaojun; Zhang, Qiufang; Ling, Kai; Chen, Yicun; Yang, Wenzhi; Gao, Fenfei; Shi, Ganggang
2012-01-01
Nanoparticle (NP) compositions such as hydrophobicity and surface charge are vital to determine the presence and amount of human serum albumin (HSA) binding. The HSA binding influences drug release, biocompatibility, biodistribution, and intercellular trafficking of nanoparticles (NPs). Here, we prepared 2 kinds of nanomaterials to investigate HSA binding and evaluated drug release of HSA-bound NPs. Polysaccharides (pullulan) carboxyethylated to provide ionic derivatives were then conjugated to cholesterol groups to obtain cholesterol-modified carboxyethyl pullulan (CHCP). Cholesterol-modified pullulan (CHP) conjugate was synthesized with a similar degree of substitution of cholesterol moiety to CHCP. CHCP formed self-aggregated NPs in aqueous solution with a spherical structure and zeta potential of −19.9±0.23 mV, in contrast to −1.21±0.12 mV of CHP NPs. NPs could quench albumin fluorescence intensity with maximum emission intensity gradually decreasing up to a plateau at 9 to 12 h. Binding constants were 1.12×105 M−1 and 0.70×105 M−1 to CHP and CHCP, respectively, as determined by Stern-Volmer analysis. The complexation between HSA and NPs was a gradual process driven by hydrophobic force and inhibited by NP surface charge and shell-core structure. HSA conformation was altered by NPs with reduction of α-helical content, depending on interaction time and particle surface charges. These NPs could represent a sustained release carrier for mitoxantrone in vitro, and the bound HSA assisted in enhancing sustained drug release. PMID:23166632
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Virginia S Lioy
Full Text Available In Firmicutes, small homodimeric ParA-like (δ2 and ParB-like (ω2 proteins, in concert with cis-acting plasmid-borne parS and the host chromosome, secure stable plasmid inheritance in a growing bacterial population. This study shows that (ω:YFP2 binding to parS facilitates plasmid clustering in the cytosol. (δ:GFP2 requires ATP binding but not hydrolysis to localize onto the cell's nucleoid as a fluorescent cloud. The interaction of (δ:CFP2 or δ2 bound to the nucleoid with (ω:YFP2 foci facilitates plasmid capture, from a very broad distribution, towards the nucleoid and plasmid pairing. parS-bound ω2 promotes redistribution of (δ:GFP2, leading to the dynamic release of (δ:GFP2 from the nucleoid, in a process favored by ATP hydrolysis and protein-protein interaction. (δD60A:GFP2, which binds but cannot hydrolyze ATP, also forms unstable complexes on the nucleoid. In the presence of ω2, (δD60A:GFP2 accumulates foci or patched structures on the nucleoid. We propose that (δ:GFP2 binding to different nucleoid regions and to ω2-parS might generate (δ:GFP2 gradients that could direct plasmid movement. The iterative pairing and unpairing cycles may tether plasmids equidistantly on the nucleoid to ensure faithful plasmid segregation by a mechanism compatible with the diffusion-ratchet mechanism as proposed from in vitro reconstituted systems.
SILICA—BOUND 1，7—DITHIA—4—AZA—10，13，16—TRIOXACYCLOOCTADECANE AND ITS PLATINUM COMPLEX
Institute of Scientific and Technical Information of China (English)
CHENYuanyin; MENGLingzhi; 等
1992-01-01
Dithia-monoaza 18-Crown-6 and its immobilization product,silica-bound 1,7-dithia-4-aza-10,13,16-trioxa-cyclooctadecane via a spacer of three carbon atoms,and its platinum complex have been synthesized.It is found that the platinum complex is an efficient hydrosilylation catalyst for olefins.The XPS data of the platinum complex are reported.
Li, Zhixiong; Yan, Xinping; Wang, Xuping; Peng, Zhongxiao
2016-06-01
In the complex gear transmission systems, in wind turbines a crack is one of the most common failure modes and can be fatal to the wind turbine power systems. A single sensor may suffer with issues relating to its installation position and direction, resulting in the collection of weak dynamic responses of the cracked gear. A multi-channel sensor system is hence applied in the signal acquisition and the blind source separation (BSS) technologies are employed to optimally process the information collected from multiple sensors. However, literature review finds that most of the BSS based fault detectors did not address the dependence/correlation between different moving components in the gear systems; particularly, the popular used independent component analysis (ICA) assumes mutual independence of different vibration sources. The fault detection performance may be significantly influenced by the dependence/correlation between vibration sources. In order to address this issue, this paper presents a new method based on the supervised order tracking bounded component analysis (SOTBCA) for gear crack detection in wind turbines. The bounded component analysis (BCA) is a state of art technology for dependent source separation and is applied limitedly to communication signals. To make it applicable for vibration analysis, in this work, the order tracking has been appropriately incorporated into the BCA framework to eliminate the noise and disturbance signal components. Then an autoregressive (AR) model built with prior knowledge about the crack fault is employed to supervise the reconstruction of the crack vibration source signature. The SOTBCA only outputs one source signal that has the closest distance with the AR model. Owing to the dependence tolerance ability of the BCA framework, interfering vibration sources that are dependent/correlated with the crack vibration source could be recognized by the SOTBCA, and hence, only useful fault information could be preserved in
A search for weak or complex magnetic fields in the the B3V star iota Herculis
Wade, G A; Petit, P; Petit, V; Lignieres, F; Auriere, M; Bohm, T
2014-01-01
We obtained 128 high signal-to-noise ratio Stokes $V$ spectra of the B3V star $\\iota$~Her on 5 consecutive nights in 2012 with the ESPaDOnS spectropolarimeter at the Canada-France-Hawaii Telescope, with the aim of searching for the presence of weak and/or complex magnetic fields. Least-Squares Deconvolution mean profiles were computed from individual spectra, averaged over individual nights and over the entire run. No Zeeman signatures are detected in any of the profiles. The longitudinal magnetic field in the grand average profile was measured to be $-0.24 \\pm 0.32 $ G, as compared to $-0.22 \\pm 0.32$ G in the null profile. Our observations therefore provide no evidence for the presence of Zeeman signatures analogous to those observed in the A0V star Vega by Lignieres et al. (2009). We interpret these observations in three ways. First, we compare the LSD profiles with synthetic Stokes $V$ profiles corresponding to organised (dipolar) magnetic fields, for which we find an upper limit of about 8~G on the polar...
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Morgan L Henderson
Full Text Available Expression of mutant EcoRII methyltransferase protein (M.EcoRII-C186A in Escherichia coli leads to tightly bound DNA-protein complexes (TBCs, located sporadically on the chromosome rather than in tandem arrays. The mechanisms behind the lethality induced by such sporadic TBCs are not well studied, nor is it clear whether very tight binding but non-covalent complexes are processed in the same way as covalent DNA-protein crosslinks (DPCs. Using 2D gel electrophoresis, we found that TBCs induced by M.EcoRII-C186A block replication forks in vivo. Specific bubble molecules were detected as spots on the 2D gel, only when M.EcoRII-C186A was induced, and a mutation that eliminates a specific EcoRII methylation site led to disappearance of the corresponding spot. We also performed a candidate gene screen for mutants that are hypersensitive to TBCs induced by M.EcoRII-C186A. We found several gene products necessary for protection against these TBCs that are known to also protect against DPCs induced with wild-type M.EcoRII (after 5-azacytidine incorporation: RecA, RecBC, RecG, RuvABC, UvrD, FtsK, XerCD and SsrA (tmRNA. In contrast, the RecFOR pathway and Rep helicase are needed for protection against TBCs but not DPCs induced by M.EcoRII. We propose that stalled fork processing by RecFOR and RecA promotes release of tightly bound (but non-covalent blocking proteins, perhaps by licensing Rep helicase-driven dissociation of the blocking M.EcoRII-C186A. Our studies also argued against the involvement of several proteins that might be expected to protect against TBCs. We took the opportunity to directly compare the sensitivity of all tested mutants to two quinolone antibiotics, which target bacterial type II topoisomerases and induce a unique form of DPC. We uncovered rep, ftsK and xerCD as novel quinolone hypersensitive mutants, and also obtained evidence against the involvement of a number of functions that might be expected to protect against quinolones.
WEAK CONVERGENCE OF SOME SERIES
Institute of Scientific and Technical Information of China (English)
2000-01-01
This paper continues the study of [1] on weak functions.The weak convergence theory is investigated in complex analysis,Fourier transform and Mellin transform.A Mobius inverse formula of weak functions is obtained.
Ikezaki, Akira; Nakamura, Mikio
2003-04-07
The reactions between Mn(Por)Cl and Bu(4)N(+)CN(-) have been examined in various solvents by UV-vis and (1)H NMR spectroscopy, where Por's are dianions of meso-tetraisopropylporphyrin (T(i)PrP), meso-tetraphenylporphyrin (TPP), meso-tetrakis(p-(trifluoromethyl)phenyl)porphyrin (p-CF(3)-TPP), meso-tetramesitylporphyrin (TMP), and meso-tetrakis(2,6-dichlorophenyl)porphyrin (2,6-Cl(2)-TPP). Population ratios of the reaction products, Mn(Por)(CN) and [Mn(Por)(CN)(2)](-), have been sensitively affected by the solvents used. In the case of Mn(T(i)PrP)Cl, the following results are obtained: (i) The bis-adduct is preferentially formed in dipolar aprotic solvents such as DMSO, DMF, and acetonitrile. (ii) Both the mono- and bis-adduct are formed in the less polar solvents such as CH(2)Cl(2) and benzene though the complete conversion to the bis-adduct is achieved with much smaller amount of the ligand in benzene solution. (iii) Only the mono-adduct is formed in CHCl(3) solution even in the presence of a large excess of cyanide. (iv) Neither the mono- nor the bis-adduct is obtained in methanol solution. The results mentioned above have been explained in terms of the C-H.N and O-H.N hydrogen bonding in chloroform and methanol solutions, respectively, between the solvent molecules and cyanide ligand; hydrogen bonding weakens the coordination ability of cyanide and reduces the population of the bis-adduct. The importance of the C-H.N weak hydrogen bonding is most explicitly shown in the following fact: while the starting complex is completely converted to the bis-adduct in CH(2)Cl(2) solution, the conversion from the mono- to the bis-adduct is not observed even in the presence of 7000 equiv of Bu(4)N(+)CN(-) in CHCl(3) solution. The effective magnetic moments of the bis-adduct has been determined by the Evans method to be 3.2 micro(B) at 25 degrees C, suggesting that the complex adopts the usual (d(xy))(2)(d(xz), d(yz))(2) electron configuration despite the highly ruffled
Energy Technology Data Exchange (ETDEWEB)
Ramesh, Arati; Wakeman, Catherine A.; Winkler, Wade C. (UTSMC)
2011-12-09
The M-box riboswitch couples intracellular magnesium levels to expression of bacterial metal transport genes. Structural analyses on other riboswitch RNA classes, which typically respond to a small organic metabolite, have revealed that ligand recognition occurs through a combination of base-stacking, electrostatic, and hydrogen-bonding interactions. In contrast, the M-box RNA triggers a change in gene expression upon association with an undefined population of metals, rather than responding to only a single ligand. Prior biophysical experimentation suggested that divalent ions associate with the M-box RNA to promote a compacted tertiary conformation, resulting in sequestration of a short sequence tract otherwise required for downstream gene expression. Electrostatic shielding from loosely associated metals is undoubtedly an important influence during this metal-mediated compaction pathway. However, it is also likely that a subset of divalent ions specifically occupies cation binding sites and promotes proper positioning of functional groups for tertiary structure stabilization. To better elucidate the role of these metal binding sites, we resolved a manganese-chelated M-box RNA complex to 1.86 {angstrom} by X-ray crystallography. These data support the presence of at least eight well-ordered cation binding pockets, including several sites that had been predicted by biochemical studies but were not observed in prior structural analysis. Overall, these data support the presence of three metal-binding cores within the M-box RNA that facilitate a network of long-range interactions within the metal-bound, compacted conformation.
Structure of human Eg5 in complex with a new monastrol-based inhibitor bound in the R configuration.
Garcia-Saez, Isabel; DeBonis, Salvatore; Lopez, Roman; Trucco, Fernando; Rousseau, Bernard; Thuéry, Pierre; Kozielski, Frank
2007-03-30
Drugs that target mitotic spindle proteins have been proven useful for tackling tumor growth. Eg5, a kinesin-5 family member, represents a potential target, since its inhibition leads to prolonged mitotic arrest through the activation of the mitotic checkpoint and apoptotic cell death. Monastrol, a specific dihydropyrimidine inhibitor of Eg5, shows stereo-specificity, since predominantly the (S)-, but not the (R)-, enantiomer has been shown to be the biologically active compound in vitro and in cell-based assays. Here, we solved the crystal structure (2.7A) of the complex between human Eg5 and a new keto derivative of monastrol (named mon-97), a potent antimitotic inhibitor. Surprisingly, we identified the (R)-enantiomer bound in the active site, and not, as for monastrol, the (S)-enantiomer. The absolute configuration of this more active (R)-enantiomer has been unambiguously determined via chemical correlation and x-ray analysis. Unexpectedly, both the R- and the S-forms inhibit Eg5 ATPase activity with IC(50) values of 110 and 520 nM (basal assays) and 150 nm and 650 nm (microtubule-stimulated assays), respectively. However, the difference was large enough for the protein to select the (R)- over the (S)-enantiomer. Taken together, these results show that in this new monastrol family, both (R)- and (S)-enantiomers can be active as Eg5 inhibitors. This considerably broadens the alternatives for rational drug design.
Energy Technology Data Exchange (ETDEWEB)
Monahan, Daniele M.; Whaley-Mayda, Lukas; Fleming, Graham R., E-mail: grfleming@lbl.gov [Department of Chemistry, University of California, Berkeley, California 94720 (United States); Physical Biosciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Kavli Energy NanoSciences Institute at Berkeley, Berkeley, California 94720 (United States); Ishizaki, Akihito [Institute for Molecular Science, National Institutes of Natural Sciences, Okazaki 444-8585 (Japan)
2015-08-14
Coherence oscillations measured in two-dimensional (2D) electronic spectra of pigment-protein complexes may have electronic, vibrational, or mixed-character vibronic origins, which depend on the degree of electronic-vibrational mixing. Oscillations from intrapigment vibrations can obscure the inter-site coherence lifetime of interest in elucidating the mechanisms of energy transfer in photosynthetic light-harvesting. Huang-Rhys factors (S) for low-frequency vibrations in Chlorophyll and Bacteriochlorophyll are quite small (S ≤ 0.05), so it is often assumed that these vibrations influence neither 2D spectra nor inter-site coherence dynamics. In this work, we explore the influence of S within this range on the oscillatory signatures in simulated 2D spectra of a pigment heterodimer. To visualize the inter-site coherence dynamics underlying the 2D spectra, we introduce a formalism which we call the “site-probe response.” By comparing the calculated 2D spectra with the site-probe response, we show that an on-resonance vibration with Huang-Rhys factor as small as S = 0.005 and the most strongly coupled off-resonance vibrations (S = 0.05) give rise to long-lived, purely vibrational coherences at 77 K. We moreover calculate the correlation between optical pump interactions and subsequent entanglement between sites, as measured by the concurrence. At 77 K, greater long-lived inter-site coherence and entanglement appear with increasing S. This dependence all but vanishes at physiological temperature, as environmentally induced fluctuations destroy the vibronic mixing.
Boelens, W; Scherly, D; Beijer, R P; Jansen, E J; Dathan, N A; Mattaj, I W; van Venrooij, W J
1991-01-01
The U2 snRNP complex contains two specific proteins, U2B" and U2A'. We have analysed the interaction of U2A' with U2B" and with U2 RNA. U2A' can form an weak but detectable RNA-protein complex with U2 RNA and a stable protein complex with U2B". This protein-protein complex binds efficiently and specifically to U2 RNA. Binding experiments with mutant forms of U2A' shows that the region of U2A' essential for binding to U2B" is extensive, being located between amino acid position 1-164. The beha...
Rana, Soumendra; Sahoo, Amita Rani; Majhi, Bharat Kumar
2016-04-26
The C5a receptor (C5aR) is a pharmacologically important G-protein coupled receptor (GPCR) that interacts with (h)C5a, by recruiting both the "orthosteric" sites (site1 at the N-terminus and site2 at the ECS, extra cellular surface) on C5aR in a two site-binding model. However, the complex pharmacological landscape and the distinguishing chemistry operating either at the "orthosteric" site1 or at the functionally important "orthosteric" site2 of C5aR are still not clear, which greatly limits the understanding of C5aR pharmacology. One of the major bottlenecks is the lack of an experimental structure or a refined model structure of C5aR with appropriately defined active sites. The study attempts to understand the pharmacology at the "orthosteric" site2 of C5aR rationally by generating a highly refined full-blown model structure of C5aR through advanced molecular modeling techniques, and further subjecting it to automated docking and molecular dynamics (MD) studies in the POPC bilayer. The first series of structural complexes of C5aR respectively bound to a linear native peptide agonist ((h)C5a-CT), a small molecule inverse agonist (NDT) and a cyclic peptide antagonist (PMX53) are reported, apparently establishing the unique pharmacological landscape of the "orthosteric" site2, which also illustrates an energetically distinct but coherent competitive chemistry ("cation-π" vs. "π-π" interactions) involved in distinguishing the established ligands known for targeting the "orthosteric" site2 of C5aR. Over a total of 1 μs molecular dynamics (MD) simulation in the POPC bilayer, it is evidenced that while the agonist prefers a "cation-π" interaction, the inverse agonist prefers a "cogwheel/L-shaped" interaction in contrast to the "edge-to-face/T-shaped" type π-π interactions demonstrated by the antagonist by engaging the F275(7.28) of the C5aR. In the absence of a NMR or crystallographically guided model structure of C5aR, the computational model complexes not only
Weak martingale Hardy spaces and weak atomic decompositions
Institute of Scientific and Technical Information of China (English)
HOU; Youliang; REN; Yanbo
2006-01-01
In this paper we define some weak martingale Hardy spaces and three kinds of weak atoms. They are the counterparts of martingale Hardy spaces and atoms in the classical martingale Hp-theory. And then three atomic decomposition theorems for martingales in weak martingale Hardy spaces are proved. With the help of the weak atomic decompositions of martingale, a sufficient condition for a sublinear operator defined on the weak martingale Hardy spaces to be bounded is given. Using the sufficient condition, we obtain a series of martingale inequalities with respect to the weak Lp-norm, the inequalities of weak (p ,p)-type and some continuous imbedding relationships between various weak martingale Hardy spaces. These inequalities are the weak versions of the basic inequalities in the classical martingale Hp-theory.
DEFF Research Database (Denmark)
Andersen, Jonas; Heimdal, Jimmy; Nelander, B.
2017-01-01
THz absorption spectra have been recorded for the weakly bound molecular complexes of H2O with C2H4 and C2H2 embedded in cryogenic neon matrices at 2.8 K. The observation and assignment of a large-amplitude acceptor OH librational mode of the C2H2—H2O complex at 145.5 cm−1 confirms...... an intermolecular CH⋯O hydrogen-bonded configuration of C2v symmetry with the H2O subunit acting as the hydrogen bond acceptor. The observation and assignment of two large-amplitude donor OH librational modes of the C2H4—H2O complex at 255.0 and 187.5 cm−1, respectively, confirms an intermolecular OH⋯π hydrogen......-bonded configuration with the H2O subunit acting as the hydrogen bond donor to the π-cloud of C2H4. A (semi)-empirical value for the change of vibrational zero-point energy of 4.0–4.1 kJ mol−1 is proposed and the combination with quantum chemical calculations at the CCSD(T)-F12b/aug-cc-pVQZ level provides a reliable...
Hill, D R; Persinger, M A
2003-12-01
During the last 15 years weak, complex magnetic fields have been applied across the two cerebral hemispheres at the level of the temporoparietal lobes of more than 500 volunteers. Most of these subjects have reported visual, vestibular, and proprioceptive sensations as well as experiences of detachment from the body of 'sentient beings'. Similar but more intense experiences were reported by Strassman in 2001 for volunteers who were injected with N,n-dimethyltryptamine, a compound Strassman hypothesized as the primary mediator of these experiences. If this speculation is valid, then subjects who are exposed to the very weak, complex fields known to elicit similar experiences should display significant increases in the metabolites of this compound within their blood.
Safaei, Elham; Heidari, Sima; Wojtczak, Andrzej; Cotič, Patricia; Kozakiewicz, Anna
2016-02-01
Two nitrocatecholato(HNC) iron(III) complexes, [FeLAMPX(H-NC)]. NEt3, of the tetradendate ligand (2-aminomethylpyridine)bis(2-pyridylmethyl)amine (H2LAMPX) were synthesized and structurally characterized. These structural models for catechol-bound 3,4-PCD were characterized by IR, UV-vis, elemental analysis and magnetic measurements. X-ray crystallography studies revealed that in both complexes the iron(III) centers are distorted octahedral and coordinated by two phenolate oxygen's, two amine nitrogen's of the ligand and mono anionic nitrocatecholate group (HNC). The variable-temperature magnetic susceptibility studies revealed paramagnetic properties of the reported complexes. The effective magnetic moments for the complexes lie between 5.3 and 5.4 BM correspond to the reported values for high spin Fe(III) center. The ligand-centered oxidation and metal-centered reduction of complexes was studies using cyclic voltammetry (CV) technique.
Stephan, Cody J.; Fortenberry, Ryan C.
2017-07-01
The sheer interstellar abundance of helium makes any bound molecules or complexes containing it of potential interest for astrophysical observation. This work utilizes high-level and trusted quantum chemical techniques to predict the rotational, vibrational and rovibrational traits of HeHHe+, HeHNe+ and HeHAr+. The first two are shown to be strongly bound, while HeHAr+ is shown to be more of a van der Waals complex of argonium with a helium atom. In any case, the formation of HeHHe+ through reactions of HeH+ with HeH3+ is exothermic. HeHHe+ exhibits the quintessentially bright proton-shuttle motion present in all proton-bound complexes in the 7.4 micron range making it a possible target for telescopic observation at the mid-/far-Infrared crossover point and a possible tracer for the as-of-yet unobserved helium hydride cation. Furthermore, a similar mode in HeHNe+ can be observed to the blue of this close to 6.9 microns. The brightest mode of HeHAr+ is dimmed due the reduced interaction of the helium atom with the central proton, but this fundamental frequency can be found slightly to the red of the Ar-H stretch in the astrophysically detected argonium cation.
Bound entanglement and entanglement bounds
Energy Technology Data Exchange (ETDEWEB)
Sauer, Simeon [Physikalisch-Astronomische Fakultaet, Friedrich-Schiller-Univesitaet Jena (Germany)]|[Physikalisches Institut, Albert-Ludwigs-Universitaet Freiburg, Hermann-Herder-Strasse 3, D-79104 Freiburg (Germany); Melo, Fernando de; Mintert, Florian; Buchleitner, Andreas [Physikalisches Institut, Albert-Ludwigs-Universitaet Freiburg, Hermann-Herder-Strasse 3, D-79104 Freiburg (Germany)]|[Max-Planck-Institut fuer Physik komplexer Systeme, Noethnitzer Str.38, D-01187 Dresden (Germany); Bae, Joonwoo [School of Computational Sciences, Korea Institute for Advanced Study, Seoul 130-012 (Korea); Hiesmayr, Beatrix [Faculty of Physics, University of Vienna, Boltzmanngasse 5, A-1090 Vienna (Austria)
2008-07-01
We investigate the separability of Bell-diagonal states of two qutrits. By using lower bounds to algebraically estimate concurrence, we find convex regions of bound entangled states. Some of these regions exactly coincide with the obtained results when employing optimal entanglement witnesses, what shows that the lower bound can serve as a precise detector of entanglement. Some hitherto unknown regions of bound entangled states were discovered with this approach, and delimited efficiently.
Weak Convergence and Weak Convergence
Directory of Open Access Journals (Sweden)
Narita Keiko
2015-09-01
Full Text Available In this article, we deal with weak convergence on sequences in real normed spaces, and weak* convergence on sequences in dual spaces of real normed spaces. In the first section, we proved some topological properties of dual spaces of real normed spaces. We used these theorems for proofs of Section 3. In Section 2, we defined weak convergence and weak* convergence, and proved some properties. By RNS_Real Mizar functor, real normed spaces as real number spaces already defined in the article [18], we regarded sequences of real numbers as sequences of RNS_Real. So we proved the last theorem in this section using the theorem (8 from [25]. In Section 3, we defined weak sequential compactness of real normed spaces. We showed some lemmas for the proof and proved the theorem of weak sequential compactness of reflexive real Banach spaces. We referred to [36], [23], [24] and [3] in the formalization.
PSPACE Bounds for Rank-1 Modal Logics
Schröder, Lutz
2007-01-01
For lack of general algorithmic methods that apply to wide classes of logics, establishing a complexity bound for a given modal logic is often a laborious task. The present work is a step towards a general theory of the complexity of modal logics. Our main result is that all rank-1 logics enjoy a shallow model property and thus are, under mild assumptions on the format of their axiomatisation, in PSPACE. This leads to a unified derivation of tight PSPACE-bounds for a number of logics including K, KD, coalition logic, graded modal logic, majority logic, and probabilistic modal logic. Our generic algorithm moreover finds tableau proofs that witness pleasant proof-theoretic properties including a weak subformula property. This generality is made possible by a coalgebraic semantics, which conveniently abstracts from the details of a given model class and thus allows covering a broad range of logics in a uniform way.
Institute of Scientific and Technical Information of China (English)
XIAO Shan; GE Shu-Sheng; WANG Xiu-Guang; LIU Qing-Xiang
2012-01-01
1-Picolyl-3-propylbenzimidazolium bromide （LBr） was prepared from benzimida- zole by alkylation with 2-chloromethyl-pyridine in the presence of NaH, followed by quaternization with 1-bromopropane. Ligand LBr was treated with AgBr in CH2Cl2 to afford a dinuclear silver（I） complex L2Ag2Br4 （1）. In complex 1, a 2-D supramolecular layer is formed through two types of π-π stacking interactions. Fluorescent emission spectra of ligand LBr and complex 1 are described.
Karthikeyan, S; Sedlak, Robert; Hobza, Pavel
2011-09-01
Weak, medium, and strong charge-transfer (CT) complexes containing various electron donors (C(2)H(4), C(2)H(2), NH(3), NMe(3), HCN, H(2)O) and acceptors (F(2), Cl(2), BH(3), SO(2)) were investigated at the CCSD(T)/complete basis set (CBS) limit. The nature of the stabilization for these CT complexes was evaluated on the basis of perturbative NBO calculations and DFT-SAPT/CBS calculations. The structure of all of the complexes was determined by the counterpoise-corrected gradient optimization performed at the MP2/cc-pVTZ level, and most of complexes possess a linear-like contact structure. The total stabilization energies lie between 1 and 55 kcal/mol and the strongest complexes contain BH(3) as an electron acceptor. When ordering the electron donors and electron acceptors on the basis of these energies, we obtain the same order as that based on the perturbative E2 charge-transfer energies, which provides evidence that the charge-transfer term is the dominant energy contribution. The CCSD(T) correction term, defined as the difference between the CCSD(T) and MP2 interaction energies, is mostly small, which allows the investigation of the CT complexes of this type at the "cheap" MP2/CBS level. In the case of weak and medium CT complexes (with stabilization energy smaller than about 15 kcal/mol), the dominant stabilization originates in the electrostatic term; the dispersion as well as induction and δ(HF) terms covering the CT energy contribution are, however, important as well. For strong CT complexes, induction energy is the second (after electrostatic) most important energy term. The role of the induction and δ(HF) terms is unique and characteristic for CT complexes. For all CT complexes, the CCSD(T)/CBS and DFT-SAPT/CBS stabilization energies are comparable, and surprisingly, it is true even for very strong CT complexes with stabilization energy close to 50 kcal/mol characteristic by substantial charge transfer (more than 0.3 e). It is thus possible to conclude
Directory of Open Access Journals (Sweden)
David Stadelmann
Full Text Available Using a quasi-natural voting experiment encompassing a 160-year period (1848-2009 in Switzerland, we investigate whether a higher level of complexity leads to increased reliance on trusted parliamentary representatives. We find that when more referenda are held on the same day, constituents are more likely to refer to parliamentary recommendations when making their decisions. This finding holds true even when we narrow our focus to referenda with a relatively lower voter turnout on days on which more than one referendum is held. We also demonstrate that when constituents face a higher level of complexity, they follow the parliamentary recommendations rather than those of interest groups. "Viewed as a geometric figure, the ant's path is irregular, complex, hard to describe. But its complexity is really a complexity in the surface of the beach, not a complexity in the ant." ( [1] p. 51.
Stadelmann, David; Torgler, Benno
2013-01-01
Using a quasi-natural voting experiment encompassing a 160-year period (1848-2009) in Switzerland, we investigate whether a higher level of complexity leads to increased reliance on trusted parliamentary representatives. We find that when more referenda are held on the same day, constituents are more likely to refer to parliamentary recommendations when making their decisions. This finding holds true even when we narrow our focus to referenda with a relatively lower voter turnout on days on which more than one referendum is held. We also demonstrate that when constituents face a higher level of complexity, they follow the parliamentary recommendations rather than those of interest groups. "Viewed as a geometric figure, the ant's path is irregular, complex, hard to describe. But its complexity is really a complexity in the surface of the beach, not a complexity in the ant." ( [1] p. 51).
Kumar, Sushil; Swanson, Patrick C
2009-04-01
The RAG proteins initiate V(D)J recombination by mediating synapsis and cleavage of two different antigen receptor gene segments through interactions with their flanking recombination signal sequences (RSS). The protein-DNA complexes that support this process have mainly been studied using RAG-RSS complexes assembled using oligonucleotide substrates containing a single RSS that are paired in trans to promote synapsis. How closely these complexes model those formed on longer, more physiologically relevant substrates containing RSSs on the same DNA molecule (in cis) remains unclear. To address this issue, we characterized discrete core and full-length RAG protein complexes bound to RSSs paired in cis. We find these complexes support cleavage activity regulated by V(D)J recombination's '12/23 rule' and exhibit plasticity in RSS usage dependent on partner RSS composition. DNA footprinting studies suggest that the RAG proteins in these complexes mediate more extensive contact with sequences flanking the RSS than previously observed, some of which are enhanced by full-length RAG1, and associated with synapsis and efficient RSS cleavage. Finally, we demonstrate that the RAG1 C-terminus facilitates hairpin formation on long DNA substrates, and full-length RAG1 promotes hairpin retention in the post-cleavage RAG complex. These results provide new insights into the mechanism of physiological V(D)J recombination.
Supuran, C T
1995-01-01
Coordination compounds of Co(II), Ni(II), Cu(II), Zn(II), and Cd(II) with 1,3,4-thiadiazole-2,5-disulfonamide as ligand were synthesized and characterized by IR and UV spectroscopy, conductimetry and thermogravimetry. The parent ligand is a very weak carbonic anhydrase (CA) inhibitor, although it constituted the lead for developing important classes of diuretics. The complex derivatives behave as much stronger CA inhibitors, with IC(50) values around 10(-8)M against isozyme CA II, and 10(-7) M against isozyme CAI.
Energy Technology Data Exchange (ETDEWEB)
Shimizu, Kuniyasu, E-mail: kuniyasu.shimizu@it-chiba.ac.jp [Department of Electrical, Electronics and Computer Engineering, Chiba Institute of Technology, Narashino 275-0016 (Japan); Sekikawa, Munehisa [Department of Mechanical and Intelligent Engineering, Utsunomiya University, Utsunomiya 321-8585 (Japan); Inaba, Naohiko [Organization for the Strategic Coordination of Research and Intellectual Property, Meiji University, Kawasaki 214-8571 (Japan)
2015-02-15
Bifurcations of complex mixed-mode oscillations denoted as mixed-mode oscillation-incrementing bifurcations (MMOIBs) have frequently been observed in chemical experiments. In a previous study [K. Shimizu et al., Physica D 241, 1518 (2012)], we discovered an extremely simple dynamical circuit that exhibits MMOIBs. Our model was represented by a slow/fast Bonhoeffer-van der Pol circuit under weak periodic perturbation near a subcritical Andronov-Hopf bifurcation point. In this study, we experimentally and numerically verify that our dynamical circuit captures the essence of the underlying mechanism causing MMOIBs, and we observe MMOIBs and chaos with distinctive waveforms in real circuit experiments.
Supuran, Claudiu T.
1995-01-01
Coordination compounds of Co(II), Ni(II), Cu(II), Zn(II), and Cd(II) with 1,3,4-thiadiazole-2,5-disulfonamide as ligand were synthesized and characterized by IR and UV spectroscopy, conductimetry and thermogravimetry. The parent ligand is a very weak carbonic anhydrase (CA) inhibitor, although it constituted the lead for developing important classes of diuretics. The complex derivatives behave as much stronger CA inhibitors, with IC50 values around 10−8M against isozyme CA II, and 10−7 M against isozyme CAI. PMID:18472784
Joanne Wang, C; Li, Xiong; Lin, Benjamin; Shim, Sangwoo; Ming, Guo-Li; Levchenko, Andre
2008-02-01
Neuronal growth cones contain sophisticated molecular machinery precisely regulating their migration in response to complex combinatorial gradients of diverse external cues. The details of this regulation are still largely unknown, in part due to limitations of the currently available experimental techniques. Microfluidic devices have been shown to be capable of generating complex, stable and precisely controlled chemical gradients, but their use in studying growth cone migration has been limited in part due to the effects of shear stress. Here we describe a microfluidics-based turning-assay chip designed to overcome this issue. In addition to generating precise gradients of soluble guidance cues, the chip can also fabricate complex composite gradients of diffusible and surface-bound guidance cues that mimic the conditions the growth cones realistically counter in vivo. Applying this assay to Xenopus embryonic spinal neurons, we demonstrate that the presence of a surface-bound laminin gradient can finely tune the polarity of growth cone responses (repulsion or attraction) to gradients of brain-derived neurotrophic factor (BDNF), with the guidance outcome dependent on the mean BDNF concentration. The flexibility inherent in this assay holds significant potential for refinement of our understanding of nervous system development and regeneration, and can be extended to elucidate other cellular processes involving chemotaxis of shear sensitive cells.
Directory of Open Access Journals (Sweden)
Nerea Huarte
Full Text Available The membrane proximal external region (MPER of the fusogenic HIV-1 glycoprotein-41 harbors the epitope sequence recognized by 2F5, a broadly neutralizing antibody isolated from an infected individual. Structural mimicry of the conserved MPER 2F5 epitope constitutes a pursued goal in the field of anti-HIV vaccine development. It has been proposed that 2F5 epitope folding into its native state is attained in the vicinity of the membrane interface and might involve interactions with other viral structures. Here we present results indicating that oligomeric complexes established between MPER and the conserved amino-terminal fusion peptide (FP can partition into lipid vesicles and be specifically bound by the 2F5 antibody at their surfaces. Cryo-transmission electron microscopy of liposomes doped with MPER:FP peptide mixtures provided the structural grounds for complex recognition by antibody at lipid bilayer surfaces. Supporting the immunogenicity of the membrane-bound complex, these MPER:FP peptide-vesicle formulations could trigger cross-reactive anti-MPER antibodies in rabbits. Thus, our observations suggest that contacts with N-terminal regions of gp41 may stabilize the 2F5 epitope as a membrane-surface antigen.
Wilson-Kubalek, Elizabeth M.; Cheeseman, Iain M.; Milligan, Ronald A.
2016-01-01
During cell division, kinetochores must remain tethered to the plus ends of dynamic microtubule polymers. However, the molecular basis for robust kinetochore–microtubule interactions remains poorly understood. The conserved four-subunit Ndc80 complex plays an essential and direct role in generating dynamic kinetochore–microtubule attachments. Here we compare the binding of the Caenorhabditis elegans and human Ndc80 complexes to microtubules at high resolution using cryo–electron microscopy reconstructions. Despite the conserved roles of the Ndc80 complex in diverse organisms, we find that the attachment mode of these complexes for microtubules is distinct. The human Ndc80 complex binds every tubulin monomer along the microtubule protofilament, whereas the C. elegans Ndc80 complex binds more tightly to β-tubulin. In addition, the C. elegans Ndc80 complex tilts more toward the adjacent protofilament. These structural differences in the Ndc80 complex between different species may play significant roles in the nature of kinetochore–microtubule interactions. PMID:26941333
Structure of the exon junction core complex with a trapped DEAD-box ATPase bound to RNA
DEFF Research Database (Denmark)
Andersen, Christian Brix Folsted; Ballut, Lionel; Johansen, Jesper Sanderhoff;
2006-01-01
In higher eukaryotes, a multiprotein exon junction complex is deposited on spliced messenger RNAs. The complex is organized around a stable core, which serves as a binding platform for numerous factors that influence messenger RNA function. Here, we present the crystal structure of a tetrameric e...
Institute of Scientific and Technical Information of China (English)
YU, Ying-Min; FEI, Jin-Hua; ZHANG, Yi-Ping; ZHENG, Xiao-Ming
2006-01-01
The functionalized MCM-41 mesoporous bound ruthenium complex was synthesized and characterized using elemental analysis, atomic absorption spectrophotometer, BET, XRD and FTIR. Hydrogenation of carbon dioxide to formic acid was investigated over these catalysts under supercritical CO2 condition. The effect of reactant gas partial pressure, supports, solvents and ligands on the synthesis of formic acid was studied. These factors could influence the catalyst activity, stability and reuse performance greatly and no byproduct was detected. These promising catalysts also offered the industrial advantages such as easy separation.
Köhler, Sabine
2006-03-01
Apicomplexa including the causative agents of toxoplasmosis and malaria reportedly possess one or few tubular-shaped mitochondria that permeate, more or less branched, throughout these unicellular parasites. Electron micrographs generated herein from serial-sectioned Toxoplasma gondii tachyzoites demonstrated, however, a greater diversity regarding both the shape of the cultured parasite's single mitochondrion and its sub-structural organization. Moreover, a unique subcellular construction was detected that basically comprised a pouch-shaped subdivision of the tachyzoite mitochondrion plus a fraction of parasitic cytoplasm enclosed therein. This composite assembling, termed ovoid mitochondrial cytoplasmic (OMC) complex, characteristically displayed a highly reduced matrix lumen of its mitochondrial border construction, which furthermore often failed to possess any cristae or contained tightly pleated cristae, thus creating a pouch-shaped multi-laminar wall of four or more membranous layers, respectively. Given this architecture, cross-sectioned OMC complexes of T. gondii tachyzoites frequently mimicked in size and shape the parasites' plastid-like organelle (apicoplast). Moreover, like the apicoplast, the OMC complex was often found adjacent to the tachyzoite's single Golgi complex and constantly located in close proximity to the outer membrane of the parasite's nuclear envelope. The T. gondii OMC complex differed, however, from the apicoplast in its exact fine structural organization and a stage-restricted presence that was apparently linked to mitochondrial growth and/or division. Any special function(s) possibly performed by the T. gondii OMC complex remains, nevertheless, to be elucidated.
Structural analysis of the transitional state of Arp2/3 complex activation by two actin-bound WCAs.
Boczkowska, Malgorzata; Rebowski, Grzegorz; Kast, David J; Dominguez, Roberto
2014-01-01
Actin filament nucleation and branching by Arp2/3 complex is activated by nucleation-promoting factors (NPFs), whose C-terminal WCA region contains binding sites for actin (W) and Arp2/3 complex (CA). It is debated whether one or two NPFs are required for activation. Here we present evidence in support of the two-NPF model and show that actin plays a crucial role in the interactions of two mammalian NPFs, N-WASP and WAVE2, with Arp2/3 complex. Competition between actin-WCA and glia maturation factor (GMF) for binding to Arp2/3 complex suggests that during activation the first actin monomer binds at the barbed end of Arp2. Based on distance constraints obtained by time-resolved fluorescence resonance energy transfer, we define the relative position of the two actin-WCAs on Arp2/3 complex and propose an atomic model of the 11-subunit transitional complex.
Without the weak force, the sun wouldn't shine. The weak force causes beta decay, a form of radioactivity that triggers nuclear fusion in the heart of the sun. The weak force is unlike other forces: it is characterised by disintegration. In beta decay, a down quark transforms into an up quark and an electron is emitted. Some materials are more radioactive than others because the delicate balance between the strong force and the weak force varies depending on the number of particles in the atomic nucleus. We live in the midst of a natural radioactive background that varies from region to region. For example, in Cornwall where there is a lot of granite, levels of background radiation are much higher than in the Geneva region. Text for the interactive: Move the Geiger counter to find out which samples are radioactive - you may be surprised. It is the weak force that is responsible for the Beta radioactivity here. The electrons emitted do not cross the plastic cover. Why do you think there is some detected radioa...
Haegeli, Pascal; Gunn, Matt; Haider, Wolfgang
2012-12-01
The development of effective prevention initiatives requires a detailed understanding of the characteristics and needs of the target audience. To properly identify at-risk individuals, it is crucial to clearly delineate risky from acceptable behavior. Whereas health behavior campaigns commonly use single conditions (e.g., lack of condom use) to identify high-risk cohorts, many risk behaviors are more complex and context dependent, rendering a single condition approach inadequate. Out-of-bounds skiing, an activity associated with voluntary exposure to avalanche hazard, is an example of such a multifaceted risk-taking activity. Using a dataset from an extensive online survey on out-of-bounds skiing, we present an innovative approach for identifying at-risk individuals in complex risk environments. Based on a risk management framework, we first examine risk-taking preferences of out-of-bounds skiers with respect to exposure and preparedness--the two main dimensions of risk management--separately. Our approach builds on existing person-centered research and uses Latent Class Analysis to assign survey participants to mutually exclusive behavioral classes on these two dimensions. Discrete Choice Experiments are introduced as a useful method for examining exposure preferences in the context of variable external conditions. The two class designations are then combined using a risk matrix to assign overall risk levels to each survey participant. The present approach complements existing person-centered prevention research on the antecedents of risk-taking by offering a process-oriented method for examining behavioral patterns with respect to the activity itself. Together, the two approaches can offer a much richer perspective for informing the design of effective prevention initiatives.
Ivanov, Sergey V.
2016-07-01
Stable bimolecular complexes (tightly bound dimers) in the gas phase are usually created during third body stabilization of their unstable precursors-quasi-bound complexes (QCs). The latter can arise under the condition that at least one of the colliding partners has an internal degree of freedom. In this article, the principal difference between "orbitings" and QCs is demonstrated in the classical nonreactive scattering picture. Additionally, fractions of QCs in binary collisions of different linear molecules are compared. Also in the article the influence of QCs on rotational R-T relaxation and on vibration-rotational spectral line broadening is discussed. Explicit formulae shedding light on the QCs contribution to the R-T relaxation cross section and the line width and shift are presented. The obtained results emphasize the need for including QCs in every theoretical modeling of spectroscopic manifestation of intermolecular interactions. Besides the topics above, the possible manifestation of non-impact effects in the central regions of spectral lines due to QCs is stated. And finally, special consideration is given to the problem of adequate simulation of QCs formation at different pressures.
Stephansen, Anne B; King, Sarah B; Yokoi, Yuki; Minoshima, Yusuke; Li, Wei-Li; Kunin, Alice; Takayanagi, Toshiyuki; Neumark, Daniel M
2015-09-14
Dipole bound (DB) and valence bound (VB) anions of binary iodide-adenine complexes have been studied using one-color and time-resolved photoelectron imaging at excitation energies near the vertical detachment energy. The experiments are complemented by quantum chemical calculations. One-color spectra show evidence for two adenine tautomers, the canonical, biologically relevant A9 tautomer and the A3 tautomer. In the UV-pump/IR-probe time-resolved experiments, transient adenine anions can be formed by electron transfer from the iodide. These experiments show signals from both DB and VB states of adenine anions formed on femto- and picosecond time scales, respectively. Analysis of the spectra and comparison with calculations suggest that while both the A9 and A3 tautomers contribute to the DB signal, only the DB state of the A3 tautomer undergoes a transition to the VB anion. The VB anion of A9 is higher in energy than both the DB anion and the neutral, and the VB anion is therefore not accessible through the DB state. Experimental evidence of the metastable A9 VB anion is instead observed as a shape resonance in the one-color photoelectron spectra, as a result of UV absorption by A9 and subsequent electron transfer from iodide into the empty π-orbital. In contrast, the iodide-A3 complex constitutes an excellent example of how DB states can act as doorway state for VB anion formation when the VB state is energetically available.
WEAK REGULARIZATION FOR A CLASS OF ILL-POSED CAUCHY PROBLEMS
Institute of Scientific and Technical Information of China (English)
无
2006-01-01
This article is concerned with the ill-posed Cauchy problem associated with a densely defined linear operator A in a Banach space. A family of weak regularizing operators is introduced. If the spectrum of A is contained in a sector of right-half complex plane and its resolvent is polynomially bounded, the weak regularization for such ill-posed Cauchy problem can be shown by using the quasi-reversibility method and regularized semigroups. Finally, an example is given.
Institute of Scientific and Technical Information of China (English)
CHEN Yuying; YUAN Guoqing; CHEN Rongyao
1989-01-01
The kinetic study of carbonylation of methanol-acetic acid mixture to acetic acid and acetic anhydride over a cis-dicarbonylrhodium complex (MVM' Rh)coordinated with the ethylene diacrylate (M')crosslinked copolymer of methyl acrylate (M) and 2 - vinylpyridine (V) shows that the rate of reaction is zero order with respect to both reactants methanol and carbon monoxide, but first order in the concentrations of promoter methyl iodide and rhodium in the complex . Polar solvents can accelerate the reaction .Activation parameters were calculated from the experimental results, being comparable to that of the homogeneous system . A mechanism similar to that of soluble rhodium catalyst was proposed .
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J. Adam
2016-01-01
Full Text Available We present results of a search for two hypothetical strange dibaryon states, i.e. the H-dibaryon and the possible Λn‾ bound state. The search is performed with the ALICE detector in central (0–10% Pb–Pb collisions at sNN=2.76 TeV, by invariant mass analysis in the decay modes Λn‾→d‾π+ and H-dibaryon →Λpπ−. No evidence for these bound states is observed. Upper limits are determined at 99% confidence level for a wide range of lifetimes and for the full range of branching ratios. The results are compared to thermal, coalescence and hybrid UrQMD model expectations, which describe correctly the production of other loosely bound states, like the deuteron and the hypertriton.
Adam, Jaroslav; Aggarwal, Madan Mohan; Aglieri Rinella, Gianluca; Agnello, Michelangelo; Agrawal, Neelima; Ahammed, Zubayer; Ahmed, Ijaz; Ahn, Sang Un; Aimo, Ilaria; Aiola, Salvatore; Ajaz, Muhammad; Akindinov, Alexander; Alam, Sk Noor; Aleksandrov, Dmitry; Alessandro, Bruno; Alexandre, Didier; Alfaro Molina, Jose Ruben; Alici, Andrea; Alkin, Anton; Alme, Johan; Alt, Torsten; Altinpinar, Sedat; Altsybeev, Igor; Alves Garcia Prado, Caio; Andrei, Cristian; Andronic, Anton; Anguelov, Venelin; Anielski, Jonas; Anticic, Tome; Antinori, Federico; Antonioli, Pietro; Aphecetche, Laurent Bernard; Appelshaeuser, Harald; Arcelli, Silvia; Armesto Perez, Nestor; Arnaldi, Roberta; Aronsson, Tomas; Arsene, Ionut Cristian; Arslandok, Mesut; Augustinus, Andre; Averbeck, Ralf Peter; Azmi, Mohd Danish; Bach, Matthias Jakob; Badala, Angela; Baek, Yong Wook; Bagnasco, Stefano; Bailhache, Raphaelle Marie; Bala, Renu; Baldisseri, Alberto; Ball, Markus; Baltasar Dos Santos Pedrosa, Fernando; Baral, Rama Chandra; Barbano, Anastasia Maria; Barbera, Roberto; Barile, Francesco; Barnafoldi, Gergely Gabor; Barnby, Lee Stuart; Ramillien Barret, Valerie; Bartalini, Paolo; Bartke, Jerzy Gustaw; Bartsch, Esther; Basile, Maurizio; Bastid, Nicole; Basu, Sumit; Bathen, Bastian; Batigne, Guillaume; Batista Camejo, Arianna; Batyunya, Boris; Batzing, Paul Christoph; Bearden, Ian Gardner; Beck, Hans; Bedda, Cristina; Behera, Nirbhay Kumar; Belikov, Iouri; Bellini, Francesca; Bello Martinez, Hector; Bellwied, Rene; Belmont Iii, Ronald John; Belmont Moreno, Ernesto; Belyaev, Vladimir; Bencedi, Gyula; Beole, Stefania; Berceanu, Ionela; Bercuci, Alexandru; Berdnikov, Yaroslav; Berenyi, Daniel; Bertens, Redmer Alexander; Berzano, Dario; Betev, Latchezar; Bhasin, Anju; Bhat, Inayat Rasool; Bhati, Ashok Kumar; Bhattacharjee, Buddhadeb; Bhom, Jihyun; Bianchi, Livio; Bianchi, Nicola; Bianchin, Chiara; Bielcik, Jaroslav; Bielcikova, Jana; Bilandzic, Ante; Biswas, Saikat; Bjelogrlic, Sandro; Blanco, Fernando; Blau, Dmitry; Blume, Christoph; Bock, Friederike; Bogdanov, Alexey; Boggild, Hans; Boldizsar, Laszlo; Bombara, Marek; Book, Julian Heinz; Borel, Herve; Borissov, Alexander; Borri, Marcello; Bossu, Francesco; Botje, Michiel; Botta, Elena; Boettger, Stefan; Braun-Munzinger, Peter; Bregant, Marco; Breitner, Timo Gunther; Broker, Theo Alexander; Browning, Tyler Allen; Broz, Michal; Brucken, Erik Jens; Bruna, Elena; Bruno, Giuseppe Eugenio; Budnikov, Dmitry; Buesching, Henner; Bufalino, Stefania; Buncic, Predrag; Busch, Oliver; Buthelezi, Edith Zinhle; Buxton, Jesse Thomas; Caffarri, Davide; Cai, Xu; Caines, Helen Louise; Calero Diaz, Liliet; Caliva, Alberto; Calvo Villar, Ernesto; Camerini, Paolo; Carena, Francesco; Carena, Wisla; Castillo Castellanos, Javier Ernesto; Castro, Andrew John; Casula, Ester Anna Rita; Cavicchioli, Costanza; Ceballos Sanchez, Cesar; Cepila, Jan; Cerello, Piergiorgio; Chang, Beomsu; Chapeland, Sylvain; Chartier, Marielle; Charvet, Jean-Luc Fernand; Chattopadhyay, Subhasis; Chattopadhyay, Sukalyan; Chelnokov, Volodymyr; Cherney, Michael Gerard; Cheshkov, Cvetan Valeriev; Cheynis, Brigitte; Chibante Barroso, Vasco Miguel; Dobrigkeit Chinellato, David; Chochula, Peter; Choi, Kyungeon; Chojnacki, Marek; Choudhury, Subikash; Christakoglou, Panagiotis; Christensen, Christian Holm; Christiansen, Peter; Chujo, Tatsuya; Chung, Suh-Urk; Cicalo, Corrado; Cifarelli, Luisa; Cindolo, Federico; Cleymans, Jean Willy Andre; Colamaria, Fabio Filippo; Colella, Domenico; Collu, Alberto; Colocci, Manuel; Conesa Balbastre, Gustavo; Conesa Del Valle, Zaida; Connors, Megan Elizabeth; Contreras Nuno, Jesus Guillermo; Cormier, Thomas Michael; Corrales Morales, Yasser; Cortes Maldonado, Ismael; Cortese, Pietro; Cosentino, Mauro Rogerio; Costa, Filippo; Crochet, Philippe; Cruz Albino, Rigoberto; Cuautle Flores, Eleazar; Cunqueiro Mendez, Leticia; Dahms, Torsten; Dainese, Andrea; Danu, Andrea; Das, Debasish; Das, Indranil; Das, Supriya; Dash, Ajay Kumar; Dash, Sadhana; De, Sudipan; De Caro, Annalisa; De Cataldo, Giacinto; De Cuveland, Jan; De Falco, Alessandro; De Gruttola, Daniele; De Marco, Nora; De Pasquale, Salvatore; Deisting, Alexander; Deloff, Andrzej; Denes, Ervin Sandor; D'Erasmo, Ginevra; Di Bari, Domenico; Di Mauro, Antonio; Di Nezza, Pasquale; Diaz Corchero, Miguel Angel; Dietel, Thomas; Dillenseger, Pascal; Divia, Roberto; Djuvsland, Oeystein; Dobrin, Alexandru Florin; Dobrowolski, Tadeusz Antoni; Domenicis Gimenez, Diogenes; Donigus, Benjamin; Dordic, Olja; Dubey, Anand Kumar; Dubla, Andrea; Ducroux, Laurent; Dupieux, Pascal; Ehlers Iii, Raymond James; Elia, Domenico; Engel, Heiko; Erazmus, Barbara Ewa; Erhardt, Filip; Eschweiler, Dominic; Espagnon, Bruno; Estienne, Magali Danielle; Esumi, Shinichi; Evans, David; Evdokimov, Sergey; Eyyubova, Gyulnara; Fabbietti, Laura; Fabris, Daniela; Faivre, Julien; Fantoni, Alessandra; Fasel, Markus; Feldkamp, Linus; Felea, Daniel; Feliciello, Alessandro; Feofilov, Grigorii; Ferencei, Jozef; Fernandez Tellez, Arturo; Gonzalez Ferreiro, Elena; Ferretti, Alessandro; Festanti, Andrea; Figiel, Jan; Araujo Silva Figueredo, Marcel; Filchagin, Sergey; Finogeev, Dmitry; Fionda, Fiorella; Fiore, Enrichetta Maria; Fleck, Martin Gabriel; Floris, Michele; Foertsch, Siegfried Valentin; Foka, Panagiota; Fokin, Sergey; Fragiacomo, Enrico; Francescon, Andrea; Frankenfeld, Ulrich Michael; Fuchs, Ulrich; Furget, Christophe; Furs, Artur; Fusco Girard, Mario; Gaardhoeje, Jens Joergen; Gagliardi, Martino; Gago Medina, Alberto Martin; Gallio, Mauro; Gangadharan, Dhevan Raja; Ganoti, Paraskevi; Gao, Chaosong; Garabatos Cuadrado, Jose; Garcia-Solis, Edmundo Javier; Gargiulo, Corrado; Gasik, Piotr Jan; Germain, Marie; Gheata, Andrei George; Gheata, Mihaela; Ghosh, Premomoy; Ghosh, Sanjay Kumar; Gianotti, Paola; Giubellino, Paolo; Giubilato, Piero; Gladysz-Dziadus, Ewa; Glassel, Peter; Gomez Ramirez, Andres; Gonzalez Zamora, Pedro; Gorbunov, Sergey; Gorlich, Lidia Maria; Gotovac, Sven; Grabski, Varlen; Graczykowski, Lukasz Kamil; Grelli, Alessandro; Grigoras, Alina Gabriela; Grigoras, Costin; Grigoryev, Vladislav; Grigoryan, Ara; Grigoryan, Smbat; Grynyov, Borys; Grion, Nevio; Grosse-Oetringhaus, Jan Fiete; Grossiord, Jean-Yves; Grosso, Raffaele; Guber, Fedor; Guernane, Rachid; Guerzoni, Barbara; Gulbrandsen, Kristjan Herlache; Gulkanyan, Hrant; Gunji, Taku; Gupta, Anik; Gupta, Ramni; Haake, Rudiger; Haaland, Oystein Senneset; Hadjidakis, Cynthia Marie; Haiduc, Maria; Hamagaki, Hideki; Hamar, Gergoe; Hanratty, Luke David; Hansen, Alexander; Harris, John William; Hartmann, Helvi; Harton, Austin Vincent; Hatzifotiadou, Despina; Hayashi, Shinichi; Heckel, Stefan Thomas; Heide, Markus Ansgar; Helstrup, Haavard; Herghelegiu, Andrei Ionut; Herrera Corral, Gerardo Antonio; Hess, Benjamin Andreas; Hetland, Kristin Fanebust; Hilden, Timo Eero; Hillemanns, Hartmut; Hippolyte, Boris; Hristov, Peter Zahariev; Huang, Meidana; Humanic, Thomas; Hussain, Nur; Hussain, Tahir; Hutter, Dirk; Hwang, Dae Sung; Ilkaev, Radiy; Ilkiv, Iryna; Inaba, Motoi; Ionita, Costin; Ippolitov, Mikhail; Irfan, Muhammad; Ivanov, Marian; Ivanov, Vladimir; Izucheev, Vladimir; Jacholkowski, Adam Wlodzimierz; Jacobs, Peter Martin; Jahnke, Cristiane; Jang, Haeng Jin; Janik, Malgorzata Anna; Pahula Hewage, Sandun; Jena, Chitrasen; Jena, Satyajit; Jimenez Bustamante, Raul Tonatiuh; Jones, Peter Graham; Jung, Hyungtaik; Jusko, Anton; Kalinak, Peter; Kalweit, Alexander Philipp; Kamin, Jason Adrian; Kang, Ju Hwan; Kaplin, Vladimir; Kar, Somnath; Karasu Uysal, Ayben; Karavichev, Oleg; Karavicheva, Tatiana; Karpechev, Evgeny; Kebschull, Udo Wolfgang; Keidel, Ralf; Keijdener, Darius Laurens; Keil, Markus; Khan, Kamal; Khan, Mohammed Mohisin; Khan, Palash; Khan, Shuaib Ahmad; Khanzadeev, Alexei; Kharlov, Yury; Kileng, Bjarte; Kim, Beomkyu; Kim, Do Won; Kim, Dong Jo; Kim, Hyeonjoong; Kim, Jinsook; Kim, Mimae; Kim, Minwoo; Kim, Se Yong; Kim, Taesoo; Kirsch, Stefan; Kisel, Ivan; Kiselev, Sergey; Kisiel, Adam Ryszard; Kiss, Gabor; Klay, Jennifer Lynn; Klein, Carsten; Klein, Jochen; Klein-Boesing, Christian; 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Lea, Ramona; Leardini, Lucia; Lee, Graham Richard; Lee, Seongjoo; Legrand, Iosif; Lehnert, Joerg Walter; Lemmon, Roy Crawford; Lenti, Vito; Leogrande, Emilia; Leon Monzon, Ildefonso; Leoncino, Marco; Levai, Peter; Li, Shuang; Li, Xiaomei; Lien, Jorgen Andre; Lietava, Roman; Lindal, Svein; Lindenstruth, Volker; Lippmann, Christian; Lisa, Michael Annan; Ljunggren, Hans Martin; Lodato, Davide Francesco; Lonne, Per-Ivar; Loggins, Vera Renee; Loginov, Vitaly; Loizides, Constantinos; Lopez, Xavier Bernard; Lopez Torres, Ernesto; Lowe, Andrew John; Lu, Xianguo; Luettig, Philipp Johannes; Lunardon, Marcello; Luparello, Grazia; Maevskaya, Alla; Mager, Magnus; Mahajan, Sanjay; Mahmood, Sohail Musa; Maire, Antonin; Majka, Richard Daniel; Malaev, Mikhail; Maldonado Cervantes, Ivonne Alicia; Malinina, Liudmila; Mal'Kevich, Dmitry; Malzacher, Peter; Mamonov, Alexander; Manceau, Loic Henri Antoine; Manko, Vladislav; Manso, Franck; Manzari, Vito; Marchisone, Massimiliano; Mares, Jiri; Margagliotti, Giacomo Vito; Margotti, Anselmo; Margutti, Jacopo; Marin, Ana Maria; Markert, Christina; Marquard, Marco; Martashvili, Irakli; Martin, Nicole Alice; Martin Blanco, Javier; Martinengo, Paolo; Martinez Hernandez, Mario Ivan; Martinez-Garcia, Gines; Martinez Pedreira, Miguel; Martynov, Yevgen; Mas, Alexis Jean-Michel; Masciocchi, Silvia; Masera, Massimo; Masoni, Alberto; Massacrier, Laure Marie; Mastroserio, Annalisa; Matyja, Adam Tomasz; Mayer, Christoph; Mazer, Joel Anthony; Mazzoni, Alessandra Maria; Mcdonald, Daniel; Meddi, Franco; Menchaca-Rocha, Arturo Alejandro; Meninno, Elisa; Mercado-Perez, Jorge; Meres, Michal; Miake, Yasuo; Mieskolainen, Matti Mikael; Mikhaylov, Konstantin; Milano, Leonardo; Milosevic, Jovan; Minervini, Lazzaro Manlio; Mischke, Andre; Mishra, Aditya Nath; Miskowiec, Dariusz Czeslaw; Mitra, Jubin; Mitu, Ciprian Mihai; Mohammadi, Naghmeh; Mohanty, Bedangadas; Molnar, Levente; Montano Zetina, Luis Manuel; Montes Prado, Esther; Morando, Maurizio; Moretto, Sandra; Morreale, Astrid; 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Zyzak, Maksym
2016-01-10
We present results of a search for two hypothetical strange dibaryon states, i.e. the H-dibaryon and the possible $\\overline{\\Lambda\\mathrm{n}}$ bound state. The search is performed with the ALICE detector in central (0-10%) Pb-Pb collisions at $ \\sqrt{s_{\\rm{NN}}} = 2.76$ TeV, by invariant mass analysis in the decay modes $\\overline{\\Lambda\\mathrm{n}} \\rightarrow \\overline{\\mathrm{d}} \\pi^{+} $ and H-dibaryon $\\rightarrow \\Lambda \\mathrm{p} \\pi^{-}$. No evidence for these bound states is observed. Upper limits are determined at 99% confidence level for a wide range of lifetimes and for the full range of branching ratios. The results are compared to thermal, coalescence and hybrid UrQMD model expectations, which describe correctly the production of other loosely bound states, like the deuteron and the hypertriton.
Adam, Jaroslav; Adamova, Dagmar; Aiola, Salvatore; Bilandzic, Ante; Biswas, Saikat; Bjelogrlic, Sandro; Blanco, Fernando; Blau, Dmitry; Blume, Christoph; Bock, Friederike; Bogdanov, Alexey; Boggild, Hans; Boldizsar, Laszlo; Ajaz, Muhammad; Bombara, Marek
2016-01-01
We present results of a search for two hypothetical strange dibaryon states, i.e. the H-dibaryon and the possible Λn‾ bound state. The search is performed with the ALICE detector in central (0–10%) Pb–Pb collisions at sNN=2.76 TeV , by invariant mass analysis in the decay modes Λn‾→d‾π+ and H-dibaryon →Λpπ− . No evidence for these bound states is observed. Upper limits are determined at 99% confidence level for a wide range of lifetimes and for the full range of branching ratios. The results ...
Energy Technology Data Exchange (ETDEWEB)
Kubas, G.J.; Eckert, J.; Luo, X.L. [and others
1997-07-01
This is the final report of a three-year Laboratory Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). At the forefront of chemistry are efforts to catalytically transform the inert C-H bonds in alkanes to more useful products using metal compounds. The goal is to observe binding and cleavage of alkane C-H bonds on metals or to use related silane Si-H bonding as models, analogous to the discovery of hydrogen (H{sub 2}) binding to metals. Studies of these unique sigma complexes (M{hor_ellipsis}H-Y; Y{double_bond}H, Si, C) will aid in developing new catalysts or technologies relevant to DOE interest, e.g., new methods for tritium isotope separation. Several transition metals (Mo, W, Mn, and Pt) were found to reversibly bind and cleave H{sub 2}, silanes, and halocarbons. The first metal-SiH{sub 4} complexes, thus serving as a model for methane reactions. A second goal is to study the dynamics and energetics of H-Y bonds on metals by neutron scattering, and evidence for interactions between bound H-Y and nearby H atoms on metal complexes has been found.
Baird-Titus, Jamie M.
The homeodomain is a common DNA recognition motif consisting of three helices and an N-terminal arm that serves as a valuable model for exploring the basis of specific DNA recognition by proteins. Recognition of specific DNA sites, loosely defined by a TAAT core, is dependent on the side-chains of key amino acids in the N-terminal arm and the third "recognition" helix of the homeodomain. While much is known about homeodomain/DNA recognition, key questions concerning the role of individual amino acids and the extent of side-chain, DNA, and water dynamics during recognition remain, often focusing on the dynamic role of position 50 during recognition of the two bases immediately 3' to the 5'-TAAT-3'/3'-ATTA-5' core (ATTANN). The Bicoid homeodomain provides an interesting model system for addressing these and other questions, serving as the only known homeodomain that has a dual role in both transcriptional (DNA-binding) and translational (RNA-binding) control, discriminating between these two functions by a single amino acid, arginine 54. To add to the understanding of both general protein/DNA recognition and to the specific function of the Bicoid transcription factor homeodomain, we have determined the solution structure of the Bicoid homeodomain bound to the consensus duplex B-DNA binding site 5'-TAATCC-3'/3'-ATTAGG-5'. Our structure indicates that the Bicoid homeodomain exhibits variation from other homeodomain structures at the end of helix I, and NMR resonance line broadening of the K50 and R54 side-chains, consistent with side-chain motion and supportive of the adaptive-recognition theory of protein/DNA interactions.
Agbeworvi, George; Assefa, Zerihun; Sykora, Richard E.; Taylor, Jared; Crawford, Carlos
2016-03-01
The structures and spectroscopic properties of two high coordinate gold(I) phosphine complexes with the TFFPP=tri(4-fluorophenyl)phosphine ligand are reported. Synthesis in a 1:3 metal to ligand ratio provided the compound [AuCl(TFFPP)3] (2) that crystallize in the P 1 bar space group, where the asymmetric unit consists of three independent molecules. In all three sites, two sets of bond angles display distinctly different ranges. The three P-Au-P angles have average values of 117.92°, 117.57°, and 114.78° for sites A, B, and C, with the corresponding P-Au-Cl angles of 98.31°, 99.05°, and 103.38°, respectively. The chloride ion coordinates as the fourth ligand, at the corresponding Au-Cl distance of 2.7337, 2.6825, and 2.6951 Å for the three sites. This distance is longer by 0.40-0.45 Å than the Au-Cl distance found in the mono TFFPP complex 1 (2.285 Å) indicating a weakening of the Au-Cl interaction as the coordination number increases. In compound 3, [Au(TFFPP)3]Cl·½CH2Cl2·H2O, the structure consists of three phosphine ligands bound to the gold(I) atom, but the Cl- exists as uncoordinated counter anion. The structural differences observed in the two complexes are attributable to crystal-packing effects caused by the introduction of H-bonding as well as enhanced intra and inter-molecular π-interaction in 3. The photoluminescence of the complexes compared with that of the ligand show ligand centered emission perturbed by the metal coordination. Theoretical DFT studies conducted on these complexes supports assignments of the electronic transitions observed in these systems.
Institute of Scientific and Technical Information of China (English)
YUAN Guoqing; CHEN Yuying; CHEN Rongyao
1989-01-01
A series of porous microspheres of linear and ethylene diacrylate (M ') cross-linked copolymers of 2 - vinylpyridine (V) and methyl acrylate (M) reacted with tetracarbonyldichlorodirhodium to form a series of cis-dicarbonylrhodium chelate complex (MVRh and MVM 'Rh). They are thermally stable yet very reactive in the carbonylation of methanol to acetic acid, and of methanol - acetic acid mixture to acetic acid and acetic anhydride with a selectivity of 100% under relatively mild and anhydrous conditions.
Energy Technology Data Exchange (ETDEWEB)
Manna, Prankrishna [Department of Chemistry, Jadavpur University, Kolkata 700 032 (India); Ray Choudhury, Somnath [Central Chemical Laboratory, Geological Survey of India, 15 A and B Kyd Street, Kolkata 700 016 (India); Mitra, Monojit [Department of Chemistry, Jadavpur University, Kolkata 700 032 (India); Kumar Seth, Saikat [Department of Physics, M. G. Mahavidyalaya, Bhupatinagar, Purba Medinipur, West Bengal 721 425 (India); Helliwell, Madeleine [School of Chemistry, The University of Manchester, Brunswick Street, Manchester M13 9PL (United Kingdom); Bauzá, Antonio [Departament de Química, Universitat de les Illes Balears, Crta. de Valldemossa km 7.5, 07122 Palma (Baleares) (Spain); Frontera, Antonio, E-mail: toni.frontera@uib.es [Departament de Química, Universitat de les Illes Balears, Crta. de Valldemossa km 7.5, 07122 Palma (Baleares) (Spain); Mukhopadhyay, Subrata, E-mail: smukhopadhyay@chemistry.jdvu.ac.in [Department of Chemistry, Jadavpur University, Kolkata 700 032 (India)
2014-12-15
A Cu(II) malonate complex with formula [Cu(C{sub 3}H{sub 2}O{sub 4})(C{sub 6}H{sub 8}N{sub 2})(H{sub 2}O)]{sub 2}·4H{sub 2}O (1) [C{sub 6}H{sub 8}N{sub 2}=2-picolylamine, C{sub 3}H{sub 2}O{sub 4}{sup 2−}=malonate dianion] has been synthesized by mixing the reactants in their stoichiometric proportion and its crystal structure has been determined by single-crystal X-ray diffraction. In 1, monomeric neutral metal malonate units [Cu(C{sub 3}H{sub 2}O{sub 4})(C{sub 6}H{sub 8}N{sub 2})(H{sub 2}O)] are interlinked with each other through hydrogen bonds, weak lone pair⋯π and cuprophilic interactions to generate supramolecular dimers, which in turn further associated through hydrogen bonding to form infinite 1D chains. Water dimers, through series of hydrogen bonds and weak π–stacking forces are found to be responsible for interconnection of 1D chains, which resulted in a 3D network. A density functional (DFT) study of the energetic features of several noncovalent interactions observed in the solid state have been analyzed and characterized using Bader's theory of “atoms-in-molecules”. We also present here Hirshfeld surface analysis to investigate the close intermolecular contacts. - Graphical Abstract: Interplay of weak forces like hydrogen bonding, lone pair⋯π, Cu⋯Cu and π–stacking interactions leading to the formation of supramolecular network in [Cu(C{sub 3}H{sub 2}O{sub 4})(C{sub 6}H{sub 8}N{sub 2})(H{sub 2}O)]{sub 2}·4H{sub 2}O complex. - Highlights: • A complex of Cu(II) with malonate and 2-picolylamine is synthesized and X-ray characterized. • We report a density functional study of the energetic features of several noncovalent interactions • We perform Hirshfeld surface analysis to investigate the close intermolecular contacts.
Energy Technology Data Exchange (ETDEWEB)
Qiu, Li-yan; Zhang, Jin-li [Lehrstuhl für Physiologische Chemie II, Theodor-Boveri-Institut (Biozentrum) der Universität Würzburg, Am Hubland, D-97074 Würzburg (Germany); Kotzsch, Alexander [Lehrstuhl für Molekulare Pflanzenphysiologie und Biophysik, Julius-von-Sachs Institut der Universität Würzburg, Julius-von-Sachs Platz 2, D-97082 Würzburg (Germany); Sebald, Walter [Lehrstuhl für Physiologische Chemie II, Theodor-Boveri-Institut (Biozentrum) der Universität Würzburg, Am Hubland, D-97074 Würzburg (Germany); Rudolf-Virchow-Zentrum (DFG Forschungszentrum) der Universität Würzburg, Versbacher Strasse 9, D-97070 Würzburg (Germany); Mueller, Thomas D., E-mail: mueller@botanik.uni-wuerzburg.de [Lehrstuhl für Molekulare Pflanzenphysiologie und Biophysik, Julius-von-Sachs Institut der Universität Würzburg, Julius-von-Sachs Platz 2, D-97082 Würzburg (Germany); Rudolf-Virchow-Zentrum (DFG Forschungszentrum) der Universität Würzburg, Versbacher Strasse 9, D-97070 Würzburg (Germany); Lehrstuhl für Physiologische Chemie II, Theodor-Boveri-Institut (Biozentrum) der Universität Würzburg, Am Hubland, D-97074 Würzburg (Germany)
2008-04-01
Crystals of the complex of the first von Willebrand type C domain (VWC1) of crossveinless 2 (CV2) bound to bone morphogenetic protein 2 (BMP2) exist in two tetragonal crystal forms belonging to either space group P4{sub 1}2{sub 1}2 or I4{sub 1}, with one complete BMP2 dimer and two CV2 VWC1 domains per asymmetric unit, and diffract to 2.6 Å resolution. Crossveinless 2 (CV2) is a member of the chordin family, a protein superfamily that modulates the activity of bone morphogenetic proteins such as BMP2. The BMPs represent a large group of secreted proteins that control many steps during embryonal development and in tissue and organ homeostasis in the adult organism. The gene encoding the first von Willebrand type C domain (VWC1) of CV2 was cloned, expressed in Escherichia coli and purified to homogeneity. The binary complex of CV2 VWC1 and BMP2 was purified and subjected to crystallization. Crystals of SeMet-labelled proteins were obtained in two different forms belonging to the tetragonal space groups P4{sub 1}2{sub 1}2 and I4{sub 1}, with unit-cell parameters a = b = 86.7, c = 139.2 Å and a = b = 83.7, c = 139.6 Å, respectively. Initial analysis suggests that a complete binary complex consisting of one BMP2 dimer bound to two CV2 VWC1 domains is present in the asymmetric unit.
Zeng, Y. P.; Sharpe, S. W.; Reifschneider, D.; Wittig, C.; Beaudet, R. A.
1990-07-01
Pulsed, slotted nozzle expansions and tunable diode lasers were employed in the present recording of the rovibrational absorption spectra of weakly-bonded complexes of N2O with HF, DF, HCl, and HBr in the nu(3) region of N2O; the fast-scan technique used yielded 4000 resolution elements with a single opening of the nozzle. Of the two known NH- and OH-bonded isomers of N2O-HF, only linear ONN-HF was detected. High resolution spectra of NNO-HCl and NNO-HBr are presented. The qualitative changes observed in NNO-HX geometries and force fields are attributed to the competing effects of hydrogen-bonding and dispersion forces.
Shi, Kun; Houston, Douglas R; Berghuis, Albert M
2011-07-19
Aminoglycoside 2''-phosphotransferase IVa [APH(2'')-IVa] is a member of a family of bacterial enzymes responsible for medically relevant resistance to antibiotics. APH(2'')-IVa confers high-level resistance against several clinically used aminoglycoside antibiotics in various pathogenic Enterococcus species by phosphorylating the drug, thereby preventing it from binding to its ribosomal target and producing a bactericidal effect. We describe here three crystal structures of APH(2'')-IVa, one in its apo form and two in complex with a bound antibiotic, tobramycin and kanamycin A. The apo structure was refined to a resolution of 2.05 Å, and the APH(2'')-IVa structures with tobramycin and kanamycin A bound were refined to resolutions of 1.80 and 2.15 Å, respectively. Comparison among the structures provides insight concerning the substrate selectivity of this enzyme. In particular, conformational changes upon substrate binding, involving rotational shifts of two distinct segments of the enzyme, are observed. These substrate-induced shifts may also rationalize the altered substrate preference of APH(2'')-IVa in comparison to those of other members of the APH(2'') subfamily, which are structurally closely related. Finally, analysis of the interactions between the enzyme and aminoglycoside reveals a distinct binding mode as compared to the intended ribosomal target. The differences in the pattern of interactions can be utilized as a structural basis for the development of improved aminoglycosides that are not susceptible to these resistance factors.
Poon, Clement; Mayer, Paul M.
2006-09-01
The dissociation of metastable proton-bound pairs, (R1NO2)(R2NO2)H+ (R1 and R2 = CH3, CH3CH2, (CH3)2CH and (CH3)3C) have been investigated by mass spectrometry and density functional theory calculations. The proton-bound pairs can dissociate via hydrogen-bond cleavage into protonated and neutral nitroalkanes. Methyl substitution of the nitroalkanes (R1 and R2 = (CH3)2CH, (CH3)3C) permits a rearrangement process to compete with the H-bond cleavage on the microsecond timescale. The rearrangement reaction results in an isomer that then loses nitrous acid and involves an internal SN2-type mechanism in which (R1NO2)(R2NO2)H+ isomerizes to R1NO2...R2NO2H+ via TS1 and then subsequently to R1NO2R2+...HONO via TS2 prior to dissociation. The process is favoured by stabilization of the charge in TS2 by methyl substitution. The stability of the t-butyl ion changes the mechanism in ((CH3)3CNO2)2H+ to one that involves a two-step alkyl cation transfer. An investigation of nitro-nitrite rearrangement in protonated nitroalkanes at the B3-LYP/6-31 + G(d) level of theory found that the rearrangement barrier is lowered to the point that (CH3)3CNO2H+ can easily interconvert into (CH3)3CO(H)NO+ in the gas phase and leads to the conclusion that the proton-bound pairs involving (CH3)3CNO2 are a mixture of nitro-nitro and nitro-nitrite proton-bound pairs. The nitrite isomer can dissociate into protonated t-butyl nitrite and neutral nitroalkane via a simple hydrogen-bond cleavage. A more favourable competing dissociation process leads to the loss of t-butanol to form the ((CH3)3CNO2)(NO)+ complex.
DEFF Research Database (Denmark)
Laursen, Mette; Bublitz, Maike; Moncoq, Karine;
2009-01-01
Abstract: We have determined the structure of the sarco(endo) plasmic reticulum Ca2+-ATPase (SERCA) in an E2.P-i-like form stabilized as a complex with MgF42-, an ATP analog, adenosine 5'-(beta,gamma-methylene) triphosphate (AMPPCP), and cyclopiazonic acid (CPA). The structure determined at 2.......5 angstrom resolution leads to a significantly revised model of CPA binding when compared with earlier reports. It shows that a divalent metal ion is required for CPA binding through coordination of the tetramic acid moiety at a characteristic kink of the M1 helix found in all P-type ATPase structures, which...... is expected to be part of the cytoplasmic cation access pathway. Our model is consistent with the biochemical data on CPA function and provides new measures in structure-based drug design targeting Ca2+-ATPases, e. g. from pathogens. We also present an extended structural basis of ATP modulation pinpointing...
Selleri, Franco
2015-01-01
Weak Relativity is an equivalent theory to Special Relativity according to Reichenbach’s definition, where the parameter epsilon equals to 0. It formulates a Neo-Lorentzian approach by replacing the Lorentz transformations with a new set named “Inertial Transformations”, thus explaining the Sagnac effect, the twin paradox and the trip from the future to the past in an easy and elegant way. The cosmic microwave background is suggested as a possible privileged reference system. Most importantly, being a theory based on experimental proofs, rather than mutual consensus, it offers a physical description of reality independent of the human observation.
Energy Technology Data Exchange (ETDEWEB)
Joshi, Sunita; Pant, Debi D., E-mail: ddpant@pilani.bits-pilani.ac.in
2014-01-15
Interaction of quinine sulfate dication (QSD) with anionic, sodium dodecylsulphate (SDS) surfactant has been studied at different premicellar, micellar and postmicellar concentrations in aqueous phase using steady state, time-resolved fluorescence and fluorescence anisotropy techniques. At premicellar concentrations of SDS, the decrease in absorbance, appearance of an extra fluorescence band at lower wavelengths and tri-exponential decay behavior of fluorescence, are attributed to complex formation between QSD molecules and surfactant monomers. At postmicellar concentrations the red shift in fluorescence spectrum, increase in quantum yield and increase in fluorescence lifetimes are attributed to incorporation of solute molecules to micelles. At lower concentrations of SDS, a large shift in fluorescence is observed on excitation at the red edge of absorption spectrum and this is explained in terms of distribution of ion pairs of different energies in the ground state and the observed fluorescence lifetime behavior corroborates with this model. The temporal fluorescence anisotropy decay of QSD in SDS micelles allowed determination of restriction on the motion of the fluorophore. All the different techniques used in this study reveal that the photophysics of QSD is very sensitive to the microenvironments of SDS micelles and QSD molecules reside at the water-micelle interface. -- Highlights: • Probe molecule is very sensitive to microenvironment of micelles. • Highly fluorescent ion-pair formation has been observed. • Modulated photophysics of probe molecule in micellar solutions has been observed. • Probe molecules strongly bind with micelles and reside at probe–micelle interface.
Institute of Scientific and Technical Information of China (English)
无
2002-01-01
Based on the determined affinity series of rare earth element complexes with IMDA for the anion-exchangers, purification of macroquantities of Nd3+ from Y3+, Sm3+ from Ho3+, La3+ from Nd3+ and La3+ from Pr3+ on the weakly basic gel anion-exchanger Amberlite IRA-68 was studied. Using the presented method on 1 L of Amberlite IRA-68 in the acetate form, it is possible to obtain about 240 g Nd2O3 purified from Y2O3. Great difference in affinity of La3+ and Nd3+ as well as Pr3+ complexes for this anion-exchanger in the acetate form indicates the possibility of applying this process for purification of lanthanum on the increased scale. On 1 L of Amberilte IRA-68 in the acetate form it is possible to obtain about 1125 g La2O3 purified from Nd2O3. On the basis of these results it can be assumed that unique properties of polyacrylate anion-exchangers enable their application for separation of rare earth elements.
Koren, S A; Persinger, M A
2002-12-01
In 2002 Persinger, Roll, Tiller, Koren, and Cook considered whether there are physical processes by which recondite information exists within the space and time of objects or events. The stimuli that compose this information might be directly detected within the whole brain without being processed by the typical sensory modalities. We tested the artist Ingo Swann who can reliably draw and describe randomly selected photographs sealed in envelopes in another room. In the present experiment the photographs were immersed continuously in repeated presentations (5 times per sec.) of one of two types of computer-generated complex magnetic field patterns whose intensities were less than 20 nT over most of the area. WINDOWS-generated but not DOS-generated patterns were associated with a marked decrease in Mr. Swann's accuracy. Whereas the DOS software generated exactly the same pattern, WINDOWS software phase-modulated the actual wave form resulting in an infinite bandwidth and complexity. We suggest that information obtained by processes attributed to "paranormal" phenomena have physical correlates that can be masked by weak, infinitely variable magnetic fields.
On functions of bounded variation
Aistleitner, Christoph; Pausinger, Florian; Svane, Anne Marie; Tichy, Robert F.
2015-01-01
The recently introduced concept of $\\mathcal{D}$-variation unifies previous concepts of variation of multivariate functions. In this paper, we give an affirmative answer to the open question from Pausinger \\& Svane (J. Complexity, 2014) whether every function of bounded Hardy--Krause variation is Borel measurable and has bounded $\\mathcal{D}$-variation. Moreover, we show that the space of functions of bounded $\\mathcal{D}$-variation can be turned into a commutative Banach algebra.
Al Kaissi, Ali; Ryabykh, Sergey; Ochirova, Polina; Kenis, Vladimir; Hofstätter, Jochen G.; Grill, Franz; Ganger, Rudolf; Kircher, Susanne Gerit
2017-01-01
Marked ligamentous hyperlaxity and muscle weakness/wasting associated with awkward gait are the main deficits confused with the diagnosis of myopathy. Seven children (6 boys and 1 girl with an average age of 8 years) were referred to our department because of diverse forms of skeletal abnormalities. No definitive diagnosis was made, and all underwent a series of sophisticated investigations in other institutes in favor of myopathy. We applied our methodology through the clinical and radiographic phenotypes followed by targeted genotypic confirmation. Three children (2 boys and 1 girl) were compatible with the diagnosis of progressive pseudorheumatoid chondrodysplasia. The genetic mutation was correlated with the WISP 3 gene actively expressed by articular chondrocytes and located on chromosome 6. Klinefelter syndrome was the diagnosis in 2 boys. Karyotyping confirmed 47,XXY (aneuploidy of Klinefelter syndrome). And 2 boys were finally diagnosed with Morquio syndrome (MPS type IV A) as both showed missense mutations in the N-acetylgalactosamine-sulfate sulfatase gene. Misdiagnosis can lead to the initiation of a long list of sophisticated investigations. PMID:28210640
Topinka, Jan; Hovorka, Jan; Milcova, Alena; Schmuczerova, Jana; Krouzek, Jiri; Rossner, Pavel; Sram, Radim J
2010-10-20
An acellular assay consisting of calf thymus DNA with/without rat liver microsomal S9 fraction was used to study the genotoxicity of complex mixtures of organic air pollutants bound to size segregated aerosols by means of DNA adduct analysis. We compared the genotoxicity of the organic extracts (EOMs) from three size fractions of aerosol ranging from 0.17μm to 10μm that were collected by high volume cascade impactors in four localities of the Czech Republic differing in the extent of the environmental pollution: (1) small village in proximity of a strip mine, (2) highway, (3) city center of Prague and (4) background station. The total DNA adduct levels induced by 100μg/ml of EOMs were analyzed by (32)P-postlabelling analysis with a nuclease P1 method for adduct enrichment. The main finding of the study was most of the observed genotoxicity was connected with a fine particulate matter fraction (<1μm). The concentrations of carcinogenic polycyclic aromatic hydrocarbons (c-PAHs) in EOMs indicate that fine fractions (0.5-1μm) bound the highest amount of c-PAHs in all aerosol sampling sites, which might be related to the higher specific surface of this fraction as compared with a course fraction (1-10μm) and higher mass as compared with a condensational fraction (0.17-0.5μm). As for aerosol mass, both fine and condensational fractions are effective carriers of c-PAHs. Similarly, the DNA adduct levels per m(3) of air were highest for the fine fraction, while the condensational fraction (strip mine site and city center) revealed the highest DNA adduct levels in cases where aerosol mass is taken into consideration. A strong correlation was found between the c-PAHs and DNA adduct levels induced by EOMs in all the localities and for various size fractions (R(2)=0.98, p<0.001). It may be concluded that the analysis of total DNA adducts induced in an acellular assay with/without metabolic activation represents a relatively simple method to assess the genotoxic potential
Iwai, Ryosuke; Haruki, Ryota; Nemoto, Yasushi; Nakayama, Yasuhide
2017-07-01
We have developed inducible cell self-organization through weakly positively charged culture surfaces. In this study, a thermoresponsive and zwitterionic copolymer comprised of N,N-dimethylaminoethyl methacrylate (DMAEMA) and methacrylic acid (MA) (PDMAEMA-co-PMA; Mn: ∼9.7 × 10(4) g/mol; PDMAEMA/PMA ratio: 10) was designed for inducing cell self-organization. The copolymer formed single polymer-derived polyion complex (sPIC) nanoparticles following dissolution in an aqueous solution. The sPIC nanoparticles had a positive charge (ca. 25 mV). Self-organization occurred in adipose-derived vascular stromal cell monolayers cultivated on sPIC-deposited surfaces. There were dramatic morphological changes of these cells with the formation of capillary-like networks and single-cell aggregates with little cytotoxicity. This was a significant improvement compared with cells grown on previously developed surfaces deposited with PIC, a mixture of PDMAEMA and plasmid DNA. Thus, sPICs of PDMAEMA-co-PMA may allow for the accurate evaluation of a variety of cell behaviors with less cytotoxicity, and may facilitate additional potential medical applications such as cell-based therapy and drug discovery. © 2016 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 105B: 1009-1015, 2017. © 2016 Wiley Periodicals, Inc.
Efficient topological compilation for a weakly integral anyonic model
Bocharov, Alex; Cui, Xingshan; Kliuchnikov, Vadym; Wang, Zhenghan
2016-01-01
A class of anyonic models for universal quantum computation based on weakly-integral anyons has been recently proposed. While universal set of gates cannot be obtained in this context by anyon braiding alone, designing a certain type of sector charge measurement provides universality. In this paper we develop a compilation algorithm to approximate arbitrary n -qutrit unitaries with asymptotically efficient circuits over the metaplectic anyon model. One flavor of our algorithm produces efficient circuits with upper complexity bound asymptotically in O (32 nlog1 /ɛ ) and entanglement cost that is exponential in n . Another flavor of the algorithm produces efficient circuits with upper complexity bound in O (n 32 nlog1 /ɛ ) and no additional entanglement cost.
Weakly tight functions and their decomposition
Directory of Open Access Journals (Sweden)
Mona Khare
2005-01-01
Full Text Available The present paper deals with the study of a weakly tight function and its relation to tight functions. We obtain a Jordan-decomposition-type theorem for a locally bounded weakly tight real-valued function defined on a sublattice of IX, followed by the notion of a total variation.
Directory of Open Access Journals (Sweden)
Yao Geng
Full Text Available A quantum dot (QD-bound hybridization probe was designed for detection of intracellular pre-miRNA using chitosan (CS/poly(γ-glutamic acid (γ-PGA complex as a gene vector. The probe was prepared by assembling thiolated RNA to gold nanoparticle (Au NP via Au-S bond and then binding 3'-end amine of the RNA to the carboxy group capped on quantum dot surface. The QD-RNA-Au NP probe was assembled on the vector by mixing with aqueous γ-PGA solution and then CS solution to construct a gene delivery system for highly effective cellular uptake and delivery. After the probe was released from CS/γ-PGA complex to the cytoplasm by electrostatic repulsion at intracellular pH, it hybridized with pre-miRNA precursor as target. The formed product was then cleaved by RNase III Dicer, leading to the separation of QDs from Au NPs and fluorescence emission of QDs, which could be detected by confocal microscopic imaging to monitor the amount of the intracellular pre-miRNA precursor. The in vitro assays revealed that the QD-RNA-Au NP was a robust, sensitive and selective probe for quantitative detection of target pre-miRNA. Using MDA-MB231 and MCF-7 breast cancer cells as models, the relative amount of pre-miRNA let-7a could be successfully compared. Since the amount of miRNA is related to the progress and prognosis of cancer, this strategy could be expected to hold promising application potential in medical research and clinical diagnostics.
Positive Root Bounds and Root Separation Bounds
Herman, Aaron Paul
In this thesis, we study two classes of bounds on the roots of a polynomial (or polynomial system). A positive root bound of a polynomial is an upper bound on the largest positive root. A root separation bound of a polynomial is a lower bound on the distance between the roots. Both classes of bounds are fundamental tools in computer algebra and computational real algebraic geometry, with numerous applications. In the first part of the thesis, we study the quality of positive root bounds. Higher quality means that the relative over-estimation (the ratio of the bound and the largest positive root) is smaller. We find that all known positive root bounds can be arbitrarily bad. We then show that a particular positive root bound is tight for certain important classes of polynomials. In the remainder of the thesis, we turn to root separation bounds. We observe that known root separation bounds are usually very pessimistic. To our surprise, we also find that known root separation bounds are not compatible with the geometry of the roots (unlike positive root bounds). This motivates us to derive new root separation bounds. In the second part of this thesis, we derive a new root separation for univariate polynomials by transforming a known bound into a new improved bound. In the third part of this thesis, we use a similar strategy to derive a new improved root separation bound for polynomial systems.
Weak, strong, and uniform quantum simulations
Wang, Dong-Sheng
2015-01-01
In this work, we introduce different types of quantum simulations according to different operator topologies on a Hilbert space, namely, uniform, strong, and weak quantum simulations. We show that they have the same computational power that the efficiently solvable problems are in bounded-error quantum polynomial time. For the weak simulation, we formalize a general weak quantum simulation problem and construct an algorithm which is valid for all instances. Also, we analyze the computational power of quantum simulations by proving the query lower bound for simulating a general quantum process.
Directory of Open Access Journals (Sweden)
Ballester Pla, Coralio
2012-03-01
Full Text Available The observation of the actual behavior by economic decision makers in the lab and in the field justifies that bounded rationality has been a generally accepted assumption in many socio-economic models. The goal of this paper is to illustrate the difficulties involved in providing a correct definition of what a rational (or irrational agent is. In this paper we describe two frameworks that employ different approaches for analyzing bounded rationality. The first is a spatial segregation set-up that encompasses two optimization methodologies: backward induction and forward induction. The main result is that, even under the same state of knowledge, rational and non-rational agents may match their actions. The second framework elaborates on the relationship between irrationality and informational restrictions. We use the beauty contest (Nagel, 1995 as a device to explain this relationship.
La observación del comportamiento de los agentes económicos tanto en el laboratorio como en la vida real justifica que la racionalidad acotada sea un supuesto aceptado en numerosos modelos socio-económicos. El objetivo de este artículo es ilustrar las dificultades que conlleva una correcta definición de qué es un agente racional (irracional. En este artículo se describen dos marcos que emplean diferentes metodologías para analizar la racionalidad acotada. El primero es un modelo de segregación espacial donde se contrastan dos metodologías de optimización: inducción hacia atrás y hacia adelante. El resultado principal es que, incluso con el mismo nivel de conocimiento, tanto agentes racionales como irracionales podrían coincidir en sus acciones. El segundo marco trabaja sobre la relación entre irracionalidad y restricción de información. Se utiliza el juego llamado “beauty contest” (Nagel 1995 como mecanismo para explicar dicha relación.
Horibe, Tomoko; Qian, Pu; Hunter, C Neil; Hashimoto, Hideki
2015-04-15
Stark absorption spectroscopy was applied to clarify the structural differences between carotenoids bound to the B800-820 and B800-850 LH2 complexes from a purple photosynthetic bacterium Phaeospirillum (Phs.) molischianum DSM120. The former complex is produced when the bacteria are grown under stressed conditions of low temperature and dim light. These two LH2 complexes bind carotenoids with similar composition, 10% lycopene and 80% rhodopin, each with the same number of conjugated CC double bonds (n=11). Quantitative classical and semi-quantum chemical analyses of Stark absorption spectra recorded in the carotenoid absorption region reveal that the absolute values of the difference dipole moments |Δμ| have substantial differences (2 [D/f]) for carotenoids bound to either B800-820 or B800-850 complexes. The origin of this striking difference in the |Δμ| values was analyzed using the X-ray crystal structure of the B800-850 LH2 complex from Phs. molischianum DSM119. Semi-empirical molecular orbital calculations predict structural deformations of the major carotenoid, rhodopin, bound within the B800-820 complex. We propose that simultaneous rotations around neighboring CC and CC bonds account for the differences in the 2 [D/f] of the |Δμ| value. The plausible position of the rotation is postulated to be located around C21-C24 bonds of rhodopin.
Lee, Duck-Yeon; Park, Sung Jun; Jeong, Woojin; Sung, Ho Jin; Oho, Taena; Wu, Xiongwu; Rhee, Sue Goo; Gruschus, James M
2006-12-26
The catalytic cysteine of certain members of the peroxiredoxin (Prx) family can be hyperoxidized to cysteinesulfinic acid during reduction of peroxides. Sulfiredoxin is responsible for the ATP-dependent reduction of cysteinesulfinic acid (SO2H) of hyperoxidized Prx. Here we report the NMR solution structure of human sulfiredoxin (hSrx), both with and without bound ATP, and we model the complex of ATP-bound hSrx with Prx. Binding ATP causes only small changes in the NMR structure of hSrx, and the bound ATP conformation is quite similar to that seen for the previously reported X-ray structure of the ADP-hSrx complex. Although hSrx binds ATP, it does not catalyze hydrolysis by itself and has no catalytic acid residue typical of most ATPase and kinase family proteins. For modeling the complex, the ATP-bound hSrx was docked to hyperoxidized Prx II using EMAP of CHARMM. In the model complex, Asn186 of Prx II (Asp187 of Prx I) is in contact with the hSrx-bound ATP beta- and gamma-phosphate groups. Asp187 of Prx I was mutated to alanine and asparagine, and binding and activity of the mutants with hSrx were compared to those of the wild type. For the D187N mutant, both binding and hydrolysis and reduction activities were comparable to those of the wild type, whereas for D187A, binding was unimpaired but ATP hydrolysis and reduction did not occur. The modeling and mutagenesis analyses strongly implicate Asp187 of Prx I as the catalytic residue responsible for ATP hydrolysis in the cysteinesulfinic acid reduction of Prx by hSrx.
Asynchronous Bounded Expected Delay Networks
Bakhshi, Rena; Fokkink, Wan; Pang, Jun
2010-01-01
The commonly used asynchronous bounded delay (ABD) network models assume a fixed bound on message delay. We propose a probabilistic network model, called asynchronous bounded expected delay (ABE) model. Instead of a strict bound, the ABE model requires only a bound on the expected message delay. While the conditions of ABD networks restrict the set of possible executions, in ABE networks all asynchronous executions are possible, but executions with extremely long delays are less probable. In contrast to ABD networks, ABE networks cannot be synchronised efficiently. At the example of an election algorithm, we show that the minimal assumptions of ABE networks are sufficient for the development of efficient algorithms. For anonymous, unidirectional ABE rings of known size N we devise a probabilistic leader election algorithm having average message and time complexity O(N).
Martínez-Flores, José A.; Serrano, Manuel; Pérez, Dolores; de la Cámara A, Gómez; Lora, David; Morillas, Luis; Ayala, Rosa; Paz-Artal, Estela; Morales, José M.
2016-01-01
Aim: Antiphospholipid syndrome (APS) is characterized by recurrent thrombosis and/or gestational morbidity in patients with antiphospholipid autoantibodies (aPL). Over recent years, IgA anti-beta2-glycoprotein I (B2GPI) antibodies (IgA aB2GPI) have reached similar clinical relevance as IgG or IgM isotypes. We recently described the presence of immune complexes of IgA bounded to B2GPI (B2A-CIC) in the blood of patients with antecedents of APS symptomalology. However, B2A-CIC's clinical associations with thrombotic events (TEV) have not been described yet. Methods: A total of 145 individuals who were isolate positive for IgA aB2GPI were studied: 50 controls without any APS antecedent, 22 patients with recent TEV (Group-1), and 73 patients with antecedents of old TEV (Group-2). Results: Mean B2A-CIC levels and prevalence in Group-1 were 29.6 ± 4.1 AU and 81.8%, respectively, and were significantly higher than those of Group-2 and controls (p < 0.001). In a multivariable analysis, positivity of B2A-CIC was an independent variable for acute thrombosis with a 22.7 odd ratio (confidence interval 5.1 –101.6, 95%, p < 0.001). Levels of B2A-CIC dropped significantly two months after the TEV. B2A-CIC positive patients had lower platelet levels than B2A-CIC-negative patients (p < 0.001) and more prevalence of thrombocytopenia (p < 0.019). Group-1 had no significant differences in C3 and C4 levels compared with other groups. Conclusion: B2A-CIC is strongly associated with acute TEV. Patients who did not develop thrombosis and were B2A-CIC positive had lower platelet levels, which suggest a hypercoagulable state. This mechanism is unrelated to complement-fixing aPL. B2A-CIC could potentially select IgA aB2GPI-positive patients at risk of developing a thrombotic event. PMID:27063992
Inversion assuming weak scattering
DEFF Research Database (Denmark)
Xenaki, Angeliki; Gerstoft, Peter; Mosegaard, Klaus
2013-01-01
The study of weak scattering from inhomogeneous media or interface roughness has long been of interest in sonar applications. In an acoustic backscattering model of a stationary field of volume inhomogeneities, a stochastic description of the field is more useful than a deterministic description...... due to the complex nature of the field. A method based on linear inversion is employed to infer information about the statistical properties of the scattering field from the obtained cross-spectral matrix. A synthetic example based on an active high-frequency sonar demonstrates that the proposed...
Weak Galois and Weak Cocleft Coextensions
Institute of Scientific and Technical Information of China (English)
J.N. Alonso (A)lvarez; J.M. Fernández Vilaboa; R. González Rodríguez; A.B. Rodríguez Raposo
2007-01-01
For a weak entwining structure (A, C,ψ) living in a braided monoidal category with equalizers and coequalizers, we formulate the notion of weak A-Galois coextension with normal basis and we show that these Galois coextensions are equivalent to the weak A-cocleft coextensions introduced by the authors.
Quantum-memory-assisted entropic uncertainty relations under weak measurements
Li, Lei; Wang, Qing-Wen; Shen, Shu-Qian; Li, Ming
2017-08-01
We investigate quantum-memory-assisted entropic uncertainty relations (EURs) based on weak measurements. It is shown that the lower bound of EUR revealed by weak measurements is always larger than that revealed by the corresponding projective measurements. A series of lower bounds of EUR under both weak measurements and projective measurements are presented. Interestingly, the quantum-memory-assisted EUR based on weak measurements is a monotonically decreasing function of the strength parameter. Furthermore, some information-theoretic inequalities associated with weak measurements are also derived.
Energy Technology Data Exchange (ETDEWEB)
Cicero, Daniel O.; Barbato, Gaetano; Koch, Uwe; Ingallinella, Paolo; Bianchi, Elisabetta; Sambucini, Sonia; Neddermann, Petra; De Francesco, Raffaele; Pessi, Antonello; Bazzo, Renzo
2001-05-15
A new isotope-filtered experiment has been designed to measure homonuclear three-bond J(H{sup N}H{sup {alpha}}) coupling constants of unlabeled peptides complexed with labeled proteins. The new experiment is based on the 3D HNHA pulse scheme, and belongs to the 'quantitative J-correlation' type. It has been applied to a decapeptide inhibitor bound to the proteinase domain of the NS3 protein of human hepatitis C virus (HCV)
On Weakly Singular Versions of Discrete Nonlinear Inequalities and Applications
Directory of Open Access Journals (Sweden)
Kelong Cheng
2014-01-01
Full Text Available Some new weakly singular versions of discrete nonlinear inequalities are established, which generalize some existing weakly singular inequalities and can be used in the analysis of nonlinear Volterra type difference equations with weakly singular kernels. A few applications to the upper bound and the uniqueness of solutions of nonlinear difference equations are also involved.
On weakly D-differentiable operators
DEFF Research Database (Denmark)
Christensen, Erik
2016-01-01
Let DD be a self-adjoint operator on a Hilbert space HH and aa a bounded operator on HH. We say that aa is weakly DD-differentiable, if for any pair of vectors ξ,ηξ,η from HH the function 〈eitDae−itDξ,η〉〈eitDae−itDξ,η〉 is differentiable. We give an elementary example of a bounded operator aa, suc...
Temperature programmed desorption of weakly bound adsorbates on Au(111)
Engelhart, Daniel P.; Wagner, Roman J. V.; Meling, Artur; Wodtke, Alec M.; Schäfer, Tim
2016-08-01
We have performed temperature programmed desorption (TPD) experiments to analyze the desorption kinetics of Ar, Kr, Xe, C2H2, SF6, N2, NO and CO on Au(111). We report desorption activation energies (Edes), which are an excellent proxy for the binding energies. The derived binding energies scale with the polarizability of the molecules, consistent with the conclusion that the surface-adsorbate bonds arise due to dispersion forces. The reported results serve as a benchmark for theories of dispersion force interactions of molecules at metal surfaces.
DEFF Research Database (Denmark)
Søgaard-Andersen, Lotte; Møllegaard, N E; Douthwaite, S R
1990-01-01
We have studied the deoP2 promoter in Escherichia coli to define features important for its interaction with the CytR repressor. As is characteristic for CytR-regulated promoters, deoP2 encodes tandem binding sites for the activating complex cAMP-CRP. One of these sites, CRP-1, overlaps the -35 r...... in vitro. These observations are not easily explained by current models for the action of prokaryotic repressors; instead we favour a model in which the interaction of CytR with deoP2 depends on the presence of tandem DNA-bound cAMP-CRP complexes....
Electromagnetic and Weak transitions in light nuclei
Energy Technology Data Exchange (ETDEWEB)
M. Viviani; L.E. Marcucci; A. Kievsky; S. Rosati; R. Schiavilla
2002-09-01
Recent advances in the study of the p -- d radiative and mu -- {sup 3}He weak capture processes by our group are presented and discussed. The trinucleon bound and scattering states have been obtained from variational calculations by expanding the corresponding wave functions in terms of correlated hyper-spherical harmonic functions. The electromagnetic and weak transition currents include one- and two-body operators. The accuracy achieved in these calculations allows for interesting comparisons with experimental data.
Institute of Scientific and Technical Information of China (English)
夏萍; 吐尔德别克
2011-01-01
讨论了复拟Banach空间的复凸性,给出了复凸性的另一种新的等价刻画,即分别应用取值于复拟Banach空间中的Hardy鞅和解析鞅的弱Orlicz空间范数不等式刻划了解析q一致凸性和q一致PL凸性.%In this paper , we discuss the convexity of complex quasi-Banach space , and give another new equivalent description of the complex conrexity , namely , using weak Orlicz space norm inequalities of Hardy martingales and analytic martingales with values in complex quasi-Banach space, we describe q-uniform convexity and q-uniform PL-convexity of the complex space.
Cheremisina, O. V.; Ponomareva, M. A.; Sagdiev, V. N.
2016-03-01
The adsorption of anionic complexes of erbium with Trilon B on D-403 anionite is studied at ionic strengths of 1 and 2 mol/kg (NaNO3) and temperatures of 298 and 343 K. The values of the stability constants of complex ions of REE with Trilon B and the Gibbs energies of complexation are calculated. The values of the Gibbs energy and the enthalpy and entropy of ion exchange are determined. Using the obtained thermo-dynamic and sorption characteristics, the possible separation of anionic complexes of erbium and cerium with Trilon B is demonstrated via frontal ion-exchange chromatography. A series of sorption capacities of anionic complexes of cerium, yttrium, and erbium is presented using the values of the Gibbs energy of ion exchange.
Institute of Scientific and Technical Information of China (English)
WANG Xiaojun; LIU Zhongyang; PAN Pinglai; YUAN Guoqing
1996-01-01
Copolymer of 2-vinylpyridine and vinylacetate coordinated with dicarbonylrhodium used as a catalyst for carbonylation of methanol to acetic acid and anhydride has been studied. The structural characteristics of the copolymer ligand and complex, and the influences of the reaction conditions on the carbonylation catalyzed by this polymer complex have been investigated. In comparison with small molecule catalyst of Rh complex, the bidentate copolymer coordinated complex has better thermal stability. The reaction mechanism of the carbonylation reaction is also illustrated.
Institute of Scientific and Technical Information of China (English)
Yong Hua LI; Hai Bin KAN; Bing Jun YU
2004-01-01
In this paper, a special kind of partial algebras called projective partial groupoids is defined.It is proved that the inverse image of all projections of a fundamental weak regular *-semigroup under the homomorphism induced by the maximum idempotent-separating congruence of a weak regular *-semigroup has a projective partial groupoid structure. Moreover, a weak regular *-product which connects a fundamental weak regular *-semigroup with corresponding projective partial groupoid is defined and characterized. It is finally proved that every weak regular *-product is in fact a weak regular *-semigroup and any weak regular *-semigroup is constructed in this way.
Energy Technology Data Exchange (ETDEWEB)
Lapoux, V
2005-09-15
Information on the structure, spectroscopy and target interaction potentials of exotic nuclei can be inferred by interpreting measured data from direct reactions on proton such as elastic or inelastic scattering of proton (p,p') or one-nucleon transfer reaction (p,d). A series of experimental results has been obtained at the GANIL facilities on the setting composed of the MUST telescope array used for the detection of light charged-particles and of CATS beam detectors. This setting aims at measuring reactions on light proton or deuteron targets through reverse kinematics. Particularly, results on C{sup 10}, C{sup 11} and on direct reactions with the He{sup 8} beam of Spiral are presented. The first chapter is dedicated to the description of the most important theories concerning the nucleus. The experimental tools used to probe the nucleus are reported in the second chapter. The third and fourth chapters present the framework that has allowed us to analyse results from (p,p') and (p,d) reactions on weakly bound exotic nuclei. The last chapter is dedicated to the description of future experimental programs. (A.C.)
On interpretations of bounded arithmetic and bounded set theory
Pettigrew, Richard
2008-01-01
In a recent paper, Kaye and Wong proved the following result, which they considered to belong to the folklore of mathematical logic. THEOREM: The first-order theories of Peano arithmetic and ZF with the axiom of infinity negated are mutually interpretable with interpretations that are inverse to each other. In this note, I describe a theory of sets that stands in the same relation to the bounded arithmetic IDelta0 + exp. Because of the weakness of this theory of sets, I cannot straightforwardly adapt Kaye and Wong's interpretation of the arithmetic in the set theory. Instead, I am forced to produce a different interpretation.
Physics with loosely bound nuclei
Indian Academy of Sciences (India)
Chhanda Samanta
2001-08-01
The essential aspect of contemporary physics is to understand properties of nucleonic matter that constitutes the world around us. Over the years research in nuclear physics has provided strong guidance in understanding the basic principles of nuclear interactions. But, the scenario of nuclear physics changed drastically as the new generation of accelerators started providing more and more rare isotopes, which are away from the line of stability. These weakly bound nuclei are found to exhibit new forms of nuclear matter and unprecedented exotic behaviour. The low breakup thresholds of these rare nuclei are posing new challenges to both theory and experiments. Fortunately, nature has provided a few loosely bound stable nuclei that have been studied thoroughly for decades. Attempts are being made to ﬁnd a consistent picture for the unstable nuclei starting from their stable counterparts. Some signiﬁcant differences in the structure and reaction mechanisms are found.
Capacity Bounds for Parallel Optical Wireless Channels
Chaaban, Anas
2016-01-01
A system consisting of parallel optical wireless channels with a total average intensity constraint is studied. Capacity upper and lower bounds for this system are derived. Under perfect channel-state information at the transmitter (CSIT), the bounds have to be optimized with respect to the power allocation over the parallel channels. The optimization of the lower bound is non-convex, however, the KKT conditions can be used to find a list of possible solutions one of which is optimal. The optimal solution can then be found by an exhaustive search algorithm, which is computationally expensive. To overcome this, we propose low-complexity power allocation algorithms which are nearly optimal. The optimized capacity lower bound nearly coincides with the capacity at high SNR. Without CSIT, our capacity bounds lead to upper and lower bounds on the outage probability. The outage probability bounds meet at high SNR. The system with average and peak intensity constraints is also discussed.
Nagaraj, Karuppiah; Sakthinathan, Subramanian; Arunachalam, Sankaralingam
2015-08-01
The interaction of two surfactant cobalt(III) complexes, cis-[Co(ip)2(DA)2](ClO4)3 1 and cis-[Co(dpq)2(DA)2](ClO4)3 2 where ip = imidazo[4,5-f][1,10]phenanthroline and dpq = dipyrido[3,2-d:2‧-3‧-f]quinoxaline with yeast tRNA have been explored by using electronic absorption, competitive binding, electrochemical studies and viscosity measurements. The results suggest that these complexes can bind to tRNA by intercalation. The presence of hydrophobic diimine ligand and the long aliphatic double chains of these complexes facilitate its intercalative interaction with the hydrophobic interior of the tRNA. The extent of tRNA binding of complex 2 has greater affinity than that of complex containing imidazo[4,5-f][1,10]phenanthroline ligands.
Nagaraj, Karuppiah; Sakthinathan, Subramanian; Arunachalam, Sankaralingam
2015-08-01
The interaction of two surfactant cobalt(III) complexes, cis-[Co(ip)₂(DA)₂](ClO₄)₃ 1 and cis-[Co(dpq)₂(DA)₂](ClO₄)₃ 2 where ip=imidazo[4,5-f][1,10]phenanthroline and dpq=dipyrido[3,2-d:2'-3'-f]quinoxaline with yeast tRNA have been explored by using electronic absorption, competitive binding, electrochemical studies and viscosity measurements. The results suggest that these complexes can bind to tRNA by intercalation. The presence of hydrophobic diimine ligand and the long aliphatic double chains of these complexes facilitate its intercalative interaction with the hydrophobic interior of the tRNA. The extent of tRNA binding of complex 2 has greater affinity than that of complex containing imidazo[4,5-f][1,10]phenanthroline ligands.
Postma, G.J.
2014-01-01
In this paper I discuss three properties of Brazilian Pomeranian, a Germanic language spoken in Espirito Santo, Brazil by descendents who emigrated in the 19th century. These three aspects of the verbal system are: 1. The relation between complex complementizers, a two-infinitive system, and split i
DEFF Research Database (Denmark)
Scotto, Matthieu; Afonso, Georgia; Østerbye, Thomas;
2012-01-01
The cartography of β-cell epitopes targeted by CD8(+) T cells in type 1 diabetic (T1D) patients remains largely confined to the common HLA-A2 restriction. We aimed to identify β-cell epitopes restricted by the HLA-B7 (B*07:02) molecule, which is associated with mild T1D protection. Using DNA...... immunization on HLA-B7-transgenic mice and prediction algorithms, we identified GAD and preproinsulin candidate epitopes. Interferon-γ (IFN-γ) enzyme-linked immunospot assays on peripheral blood mononuclear cells showed that most candidates were recognized by new-onset T1D patients, but not by type 2 diabetic...... and healthy subjects. Some epitopes were highly immunodominant and specific to either T1D children (GAD(530-538); 44% T cell-positive patients) or adults (GAD(311-320); 38%). All epitopes displayed weak binding affinity and stability for HLA-B7 compared with HLA-A2-restricted ones, a general feature of HLA-B7...
Roll, W G; Persinger, M A; Webster, D L; Tiller, S G; Cook, C M
2002-02-01
Experiments were designed to help elucidate the neurophysiological correlates for the experiences reported by Sean Harribance. For most of his life he has routinely experienced "flashes of images" of objects that were hidden and of accurate personal information concerning people with whom he was not familiar. The specificity of details for target pictures of people was correlated positively with the proportion of occipital alpha activity. Results from a complete neuropsychological assessment, Single Photon Emission Computed Tomography (SPECT), and screening electroencephalography suggested that his experiences were associated with increased activity within the parietal lobe and occipital regions of the right hemisphere. Sensed presences (subjectively localized to his left side) were evoked when weak, magnetic fields, whose temporal structure simulated long-term potentiation in the hippocampus, were applied over his right temporoparietal lobes. These results suggest that the phenomena attributed to paranormal or "extrasensory" processes are correlated quantitatively with morphological and functional anomalies involving the right parietotemporal cortices (or its thalamic inputs) and the hippocampal formation.
Viscosity bound versus the universal relaxation bound
Hod, Shahar
2017-10-01
For gauge theories with an Einstein gravity dual, the AdS/CFT correspondence predicts a universal value for the ratio of the shear viscosity to the entropy density, η / s = 1 / 4 π. The holographic calculations have motivated the formulation of the celebrated KSS conjecture, according to which all fluids conform to the lower bound η / s ≥ 1 / 4 π. The bound on η / s may be regarded as a lower bound on the relaxation properties of perturbed fluids and it has been the focus of much recent attention. In particular, it was argued that for a class of field theories with Gauss-Bonnet gravity dual, the shear viscosity to entropy density ratio, η / s, could violate the conjectured KSS bound. In the present paper we argue that the proposed violations of the KSS bound are strongly constrained by Bekenstein's generalized second law (GSL) of thermodynamics. In particular, it is shown that physical consistency of the Gauss-Bonnet theory with the GSL requires its coupling constant to be bounded by λGB ≲ 0 . 063. We further argue that the genuine physical bound on the relaxation properties of physically consistent fluids is ℑω(k > 2 πT) > πT, where ω and k are respectively the proper frequency and the wavenumber of a perturbation mode in the fluid.
Cofinitely weak supplemented modules
Alizade, Rafail; Büyükaşık, Engin
2003-01-01
We prove that a module M is cofinitely weak supplemented or briefly cws (i.e., every submodule N of M with M/N finitely generated, has a weak supplement) if and only if every maximal submodule has a weak supplement. If M is a cws-module then every M-generated module is a cws-module. Every module is cws if and only if the ring is semilocal. We study also modules, whose finitely generated submodules have weak supplements.
Nearest-neighbor Entropy Estimators with Weak Metrics
Timofeev, Evgeniy
2012-01-01
A problem of improving the accuracy of nonparametric entropy estimation for a stationary ergodic process is considered. New weak metrics are introduced and relations between metrics, measures, and entropy are discussed. Based on weak metrics, a new nearest-neighbor entropy estimator is constructed and has a parameter with which the estimator is optimized to reduce its bias. It is shown that estimator's variance is upper-bounded by a nearly optimal Cramer-Rao lower bound.
Institute of Scientific and Technical Information of China (English)
丁夏畦; 罗佩珠
2004-01-01
In this paper the authors introduce some new ideas on generalized numbers and generalized weak functions. They prove that the product of any two weak functions is a generalized weak function. So in particular they solve the problem of the multiplication of two generalized functions.
A Characterization of Complete Bounded Domain
Institute of Scientific and Technical Information of China (English)
殷慰萍; 苏简兵; 赵振刚
2002-01-01
@@ 1 IntroductionThis paper is concerned with biholomorphic mappings between two bounded domains D and G both in Cn.Consequently,an important question is whether the domain D is biholomorphic to G? We give an answer for this question under a very weak condition.
Functions of bounded variation
Lind, Martin
2006-01-01
The paper begins with a short survey of monotone functions. The functions of bounded variation are introduced and some basic properties of these functions are given. Finally the jump function of a function of bounded variation is defined.
Felker, Susan B.
2005-01-01
Robert Cobb Jr., of Greensboro, N.C., a 1986-89 participant in the Virginia Tech Upward Bound program, was recently named Virginia's TRIO Achiever for 2004. Federal TRIO programs include Upward Bound and Educational Talent Search.
Passarini, Francesca; Xu, Pengqi; Caffarri, Stefano; Hille, Jacques; Croce, Roberta
2014-09-01
In the last ten years, a large series of studies have targeted antenna complexes of plants (Lhc) with the aim of understanding the mechanisms of light harvesting and photoprotection. Combining spectroscopy, modeling and mutation analyses, the role of individual pigments in these processes has been highlighted in vitro. In plants, however, these proteins are associated with multiple complexes of the photosystems and function within this framework. In this work, we have envisaged a way to bridge the gap between in vitro and in vivo studies by knocking out in vivo pigments that have been proposed to play an important role in excitation energy transfer between the complexes or in photoprotection. We have complemented a CP24 knock-out mutant of Arabidopsis thaliana with the CP24 (Lhcb6) gene carrying a His-tag and with a mutated version lacking the ligand for chlorophyll 612, a specific pigment that in vitro experiments have indicated as the lowest energy site of the complex. Both complexes efficiently integrated into the thylakoid membrane and assembled into the PSII supercomplexes, indicating that the His-tag does not impair the organization in vivo. The presence of the His-tag allowed the purification of CP24-WT and of CP24-612 mutant in their native states. It is shown that CP24-WT coordinates 10 chlorophylls and 2 carotenoid molecules and has properties identical to those of the reconstituted complex, demonstrating that the complex self-assembled in vitro assumes the same folding as in the plant. The absence of the ligand for chlorophyll 612 leads to the loss of one Chl a and of lutein, again as in vitro, indicating the feasibility of the method. This article is part of a special issue entitled: photosynthesis research for sustainability: keys to produce clean energy.
On the range of completely bounded maps
Directory of Open Access Journals (Sweden)
Richard I. Loebl
1978-01-01
Full Text Available It is shown that if every bounded linear map from a C*-algebra α to a von Neumann algebra β is completely bounded, then either α is finite-dimensional or β⫅⊗Mn, where is a commutative von Neumann algebra and Mn is the algebra of n×n complex matrices.
Improved Range Searching Lower Bounds
DEFF Research Database (Denmark)
Larsen, Kasper Green; Nguyen, Huy L.
2012-01-01
Table of Contents -------------------------------------------------------------------------------- In this paper we present a number of improved lower bounds for range searching in the pointer machine and the group model. In the pointer machine, we prove lower bounds for the approximate simplex...... range reporting problem. In approximate simplex range reporting, points that lie within a distance of ε ⋅ Diam(s) from the border of a query simplex s, are free to be included or excluded from the output, where ε ≥ 0 is an input parameter to the range searching problem. We prove our lower bounds...... by constructing a hard input set and query set, and then invoking Chazelle and Rosenberg's [CGTA'96] general theorem on the complexity of navigation in the pointer machine. For the group model, we show that input sets and query sets that are hard for range reporting in the pointer machine (i.e. by Chazelle...
Pacifico, Concetta; Intini, Francesco Paolo; Nushi, Fiorentin; Natile, Giovanni
2010-01-01
The synthesis, NMR characterization, and X-ray crystallography of "lantern-shaped" platinum(III) complexes with four pivaloamidate bridging ligands and two 9-ethylguanines (9-EtG) or 1-methylcytosines (1-MeC) in axial positions are reported: cis-N(2)O(2)-[Pt(2){HN=C(Bu(t))O}(4)(9-EtG)(2)](NO(3))(2) and cis-N(2)O(2)-[Pt(2){HN=C(Bu(t))O}(4)(1-MeC)(2)](NO(3))(2). The last complex is, to the best of our knowledge, the first dinuclear compound of platinum(III) with axially bound 1-MeC.
Directory of Open Access Journals (Sweden)
Concetta Pacifico
2010-01-01
Full Text Available The synthesis, NMR characterization, and X-ray crystallography of “lantern-shaped” platinum(III complexes with four pivaloamidate bridging ligands and two 9-ethylguanines (9-EtG or 1-methylcytosines (1-MeC in axial positions are reported: cis-N2O2-[Pt2{HN=C(ButO}4(9-EtG2](NO32 and cis-N2O2-[Pt2{HN=C(ButO}4(1-MeC2](NO32. The last complex is, to the best of our knowledge, the first dinuclear compound of platinum(III with axially bound 1-MeC.
The Geometry And Significance Of Weak Energy
Parks, A D
2000-01-01
Summary: The theory of weak values for quantum mechanical observables has come to serve as a useful basis for contemporary discussions concerning such varied topics as the tunnelling-time controversy and quantum stochastic processes. An intrinsic complex-valued weak energy has recently been observed experimentally and reported in the literature. In this paper it is shown that: (a) the real and imaginary valued parts of this weak energy have geometric interpretations related to a phase acquired from parallel transport in Hilbert space and the variational dynamics occurring in the associated projective Hilbert space, respectively; (b) the weak energy defines functions which translate correlation amplitudes and probabilities in time; (c) correlation probabilities can be controlled by manipulating the weak energy and there exists a condition of weak stationarity that guarantees their time invariance; and (d) a time-weak energy uncertainty relation of the usual form prevails when a suitable set of dynamical constr...
Schamel, Wolfgang W A; Kuppig, Stephan; Becker, Bernd; Gimborn, Kerstin; Hauri, Hans-Peter; Reth, Michael
2003-08-19
B cell antigen receptors (BCRs) are multimeric transmembrane protein complexes comprising membrane-bound immunoglobulins (mIgs) and Ig-alpha/Ig-beta heterodimers. In most cases, transport of mIgs from the endoplasmic reticulum (ER) to the cell surface requires assembly with the Ig-alpha/Ig-beta subunits. In addition to Ig-alpha/Ig-beta, mIg molecules also bind two ER-resident membrane proteins, BAP29 and BAP31, and the chaperone heavy chain binding protein (BiP). In this article, we show that neither Ig-alpha/Ig-beta nor BAP29/BAP31 nor BiP bind simultaneously to the same mIgD molecule. Blue native PAGE revealed that only a minor fraction of intracellular mIgD is associated with high-molecular-weight BAP29/BAP31 complexes. BAP-binding to mIgs was found to correlate with ER retention of chimeric mIgD molecules. On high-level expression in Drosophila melanogaster S2 cells, mIgD molecules were detected on the cell surface in the absence of Ig-alpha/Ig-beta. This aberrant transport was prevented by coexpression of BAP29 and BAP31. Thus, BAP complexes contribute to ER retention of mIg complexes that are not bound to Ig-alpha/Ig-beta. Furthermore, the mechanism of ER retention of both BAP31 and mIgD is not through retrieval from a post-ER compartment, but true ER retention. In conclusion, BAP29 and BAP31 might be the long sought after retention proteins and/or chaperones that act on transmembrane regions of various proteins.
Koyama, Masako; Hirano, Hidemi; Shirai, Natsuki; Matsuura, Yoshiyuki
2017-08-08
Xpo1p (yeast CRM1) is the major nuclear export receptor that carries a plethora of proteins and ribonucleoproteins from the nucleus to cytoplasm. The passage of the Xpo1p nuclear export complex through nuclear pore complexes (NPCs) is facilitated by interactions with nucleoporins (Nups) containing extensive repeats of phenylalanine-glycine (so-called FG repeats), although the precise role of each Nup in the nuclear export reaction remains incompletely understood. Here we report structural and biochemical characterization of the interactions between the Xpo1p nuclear export complex and the FG repeats of Nup42p, a nucleoporin localized at the cytoplasmic face of yeast NPCs and has characteristic SxFG/PxFG sequence repeat motif. The crystal structure of Xpo1p-PKI-Nup42p-Gsp1p-GTP complex identified three binding sites for the SxFG/PxFG repeats on HEAT repeats 14-20 of Xpo1p. Mutational analyses of Nup42p showed that the conserved serines and prolines in the SxFG/PxFG repeats contribute to Xpo1p-Nup42p binding. Our structural and biochemical data suggest that SxFG/PxFG-Nups such as Nup42p and Nup159p at the cytoplasmic face of NPCs provide high-affinity docking sites for the Xpo1p nuclear export complex in the terminal stage of NPC passage and that subsequent disassembly of the nuclear export complex facilitates recycling of free Xpo1p back to the nucleus. © 2017 Molecular Biology Society of Japan and John Wiley & Sons Australia, Ltd.
Mukhopadhyay, Suman; Lasri, Jamal; Charmier, M Adília Januário; da Silva, M Fátima C Guedes; Pombeiro, Armando J L
2007-12-07
[2 + 3] Cycloaddition reactions of the diazidoplatinum(II) complexes cis-[Pt(N3)2(PPh3)2] 1 and cis-[Pt(N3)2(2,2'-bipy)] 4 with organonitriles NCR 2 give the bis(tetrazolato) complexes trans-[Pt(N4CR)2(PPh3)2] 3 [R = Me (3a), Et (3b), Pr (3c), Ph (3d), 4-ClC6H4 (3e)] and cis-[Pt(N4CR)2(2,2'-bipy)] 5 [R = Me (5a), Et (5b), Pr (5c), Ph (5d)]. The reaction of cis-[Pt(N3)2(PPh3)2] I with propionitrile also affords, apart from 3b, the unexpected mixed cyano-tetrazolato complex trans-[Pt(CN)(5-ethyltetrazolato)(PPh3)2] 3b' which is derived from the reaction of the bis(tetrazolato) 3b with propionitrile, with concomitant formation of 5-ethyl-1H-tetrazole, via a suggested unusual oxidative addition of the nitrile to PtII. All these reactions are greatly accelerated by microwave irradiation and this method also shows a higher selectivity in the case of the reaction of propionitrile with 1, leading only to the formation of 3b. All the complexes obtained were characterized by IR, 1H, 13C and 31P[1H] (for complexes 3) NMR spectroscopies, FAB-MS and elemental analyses. Complexes 3b', 3d, 3e and 5d were also characterized by X-ray structural analyses.
Preuss, Harry G; Bagchi, Debasis; Bagchi, Manashi
2002-05-01
Aging is the progressive accumulation of changes with time that are responsible for the ever-increasing likelihood of disease and death. The precise cascade of pathological events mainly responsible for aging are still not clearly understood, but enhanced production of free radicals and its deleterious effects on proteins, nucleic acids, and fats, as well as enhanced glycosylation of proteins and DNA are prevalent during aging. Insulin resistance may be a common etiology, at least in part, behind the pathobiological alterations of advancing age. Prevalent age-related disorders such as cardiovascular diseases, obesity, and cancer have been associated with impaired glucose/insulin metabolism and its consequences. This leads to future strategies to combat the aging process and chronic disorders such as the components of syndrome X associated with aging. Increasing the intake of antioxidants and/or substances recognized to enhance insulin sensitivity is a natural means of combatting the glucose/insulin perturbations and free radical damage. Accordingly, ingestion of niacin-bound chromium and natural antioxidants such as grape seed proanthocyanidin extract has been demonstrated to improve insulin sensitivity and/or ameliorate free radical formation and reduce the signs/symptoms of chronic age-related disorders including syndrome X. These natural strategies possess a highly favorable risk/benefit ratio.
Hilton, Robert J; Seare, Matthew C; Andros, N David; Kenealey, Zachary; Orozco, Catalina Matias; Webb, Michael; Watt, Richard K
2012-05-01
In chronic kidney diseases, NTBI can occur even when total iron levels in serum are low and transferrin is not saturated. We postulated that elevated serum phosphate concentrations, present in CKD patients, might disrupt Fe(3+) loading into apo-transferrin by forming Fe(III)-phosphate species. We report that phosphate competes with apo-transferrin for Fe(3+) by forming a soluble Fe(III)-phosphate complex. Once formed, the Fe(III)-phosphate complex is not a substrate for donating Fe(3+) to apo-transferrin. Phosphate (1-10mM) does not chelate Fe(III) from diferric transferrin under the conditions examined. Complexed forms of Fe(3+), such as iron nitrilotriacetic acid (Fe(3+)-NTA), and Fe(III)-citrate are not susceptible to this phosphate complexation reaction and efficiently deliver Fe(3+) to apo-transferrin in the presence of phosphate. This reaction suggests that citrate might play an important role in protecting against Fe(III), phosphate interactions in vivo. In contrast to the reactions of Fe(3+) and phosphate, the addition of Fe(2+) to a solution of apo-transferrin and phosphate lead to rapid oxidation and deposition of Fe(3+) into apo-transferrin. These in vitro data suggest that, in principle, elevated phosphate concentrations can influence the ability of apo-transferrin to bind iron, depending on the oxidation state of the iron.
Aramburu, J A; García-Fernández, P; Barriuso, M T; Moreno, M
2013-11-27
Despite the importance of vacancies over the properties of insulating oxides its influence on neighboring transition metal ions is far from being understood. This work is devoted to find the origin of various up to now unexplained properties of chromium bounded either to a or a Mg(2+) vacancy in MgO. In these model systems particular attention is paid to understand, by means of ab initio calculations, why the cubic field splitting parameter, 10Dq, is surprisingly 1600 cm(-1) higher for a than for a vacancy, a fact behind the suppression of the sharp (2)E → (4)A2 luminescence in the latter case. Our calculations, which reproduce the main experimental facts, prove that the average Cr(3+)-O(2-) distance is the same within 0.8% for both systems, and thus, the low 10Dq value for a vacancy is shown to be due mainly to the electrostatic potential from the missing Mg(2+) ion, which increases the energy of antibonding t(2g) (∼xy, xz, yz) levels. By contrast, for a Mg(2+) vacancy that potential provides a supplementary increase of the e(g) (∼x(2) - y(2), 3z(2 )- r(2)) level energy and thus of 10Dq. The existence of the (2)E → (4)A2 luminescence for Cr(3+)-doped MgO under perfect cubic symmetry or with a vacancy is shown to be greatly helped by the internal electric field created by the rest of the lattice ions on the CrO6(9-) unit, whose importance is usually ignored. The present results underline the role of ab initio calculations for unveiling the subtle effects induced by a close vacancy on the properties of transition metal ions in oxides. At the same time they stress the failure of the empirical superposition model for deriving the equilibrium geometry of C4v and C2v centers in MgO:Cr(3+).
Generalization error bounds for stationary autoregressive models
McDonald, Daniel J; Schervish, Mark
2011-01-01
We derive generalization error bounds for stationary univariate autoregressive (AR) models. We show that the stationarity assumption alone lets us treat the estimation of AR models as a regularized kernel regression without the need to further regularize the model arbitrarily. We thereby bound the Rademacher complexity of AR models and apply existing Rademacher complexity results to characterize the predictive risk of AR models. We demonstrate our methods by predicting interest rate movements.
Directory of Open Access Journals (Sweden)
Martin Fischer
Full Text Available The microtubule-dependent molecular motor KIF23 (Kinesin family member 23 is one of two components of the centralspindlin complex assembled during late stages of mitosis. Formation of this complex is known as an essential step for cytokinesis. Here, we identified KIF23 as a new transcriptional target gene of the tumor suppressor protein p53. We showed that p53 reduces expression of KIF23 on the mRNA as well as the protein level in different cell types. Promoter reporter assays revealed that this repression results from downregulation of KIF23 promoter activity. CDK inhibitor p21(WAF1/CIP1 was shown to be necessary to mediate p53-dependent repression. Furthermore, we identified the highly conserved cell cycle genes homology region (CHR in the KIF23 promoter to be strictly required for p53-dependent repression as well as for cell cycle-dependent expression of KIF23. Cell cycle- and p53-dependent regulation of KIF23 appeared to be controlled by differential binding of DREAM and MMB complexes to the CHR element. With this study, we describe a new mechanism for transcriptional regulation of KIF23. Considering the strongly supporting function of KIF23 in cytokinesis, its p53-dependent repression may contribute to the prevention of uncontrolled cell growth.
Fischer, Martin; Grundke, Inga; Sohr, Sindy; Quaas, Marianne; Hoffmann, Saskia; Knörck, Arne; Gumhold, Catalina; Rother, Karen
2013-01-01
The microtubule-dependent molecular motor KIF23 (Kinesin family member 23) is one of two components of the centralspindlin complex assembled during late stages of mitosis. Formation of this complex is known as an essential step for cytokinesis. Here, we identified KIF23 as a new transcriptional target gene of the tumor suppressor protein p53. We showed that p53 reduces expression of KIF23 on the mRNA as well as the protein level in different cell types. Promoter reporter assays revealed that this repression results from downregulation of KIF23 promoter activity. CDK inhibitor p21(WAF1/CIP1) was shown to be necessary to mediate p53-dependent repression. Furthermore, we identified the highly conserved cell cycle genes homology region (CHR) in the KIF23 promoter to be strictly required for p53-dependent repression as well as for cell cycle-dependent expression of KIF23. Cell cycle- and p53-dependent regulation of KIF23 appeared to be controlled by differential binding of DREAM and MMB complexes to the CHR element. With this study, we describe a new mechanism for transcriptional regulation of KIF23. Considering the strongly supporting function of KIF23 in cytokinesis, its p53-dependent repression may contribute to the prevention of uncontrolled cell growth.
Mautner, Franz A; Ohrström, Lars; Sodin, Beate; Vicente, Ramon
2009-07-06
A new polynuclear azido-bridged Co(II) compound with formula [Co(2)(N(3))(4)(HMTA)(H(2)O)](n) (1) (HMTA = hexamethylenetetramine) has been structurally and magnetically characterized. The compound 1 crystallizes in the monoclinic system C2/m space group, and consist of a complex three-dimensional system in which end-to-end and end-on azido bridging ligands between the Co(II) atoms coexist. The HMTA ligand is also linking three different Co(II) atoms. The network analysis shows for 1 a three- and six-connected network topology not previously reported. The magnetic properties of 1 are also reported, and it was found that the magnetic interactions define another new three- and four-connected net assigned as a (6.8(2))(6(4).10(2))-tfo net. In the high temperature region the chi(M) versus T plot can be fitted by using the Curie-Weiss law, and the best fit theta value is -26.6 K. For 1 magnetic ordering and spontaneous magnetization is achieved below T(c) = 15.6 K.
Constant factor approximation to the bounded genus instances of ATSP
Gharan, Shayan Oveis
2009-01-01
We give a constant factor approximation algorithm for the asymmetric traveling salesman problem when the underlying undirected graph of the Held-Karp linear programming relaxation of the problem has orientable bounded genus. Our result also implies the weak version Goddyn's conjecture on the existence of thin trees on graphs with orientable bounded genus.
On Weakly Semicommutative Rings*
Institute of Scientific and Technical Information of China (English)
CHEN WEI-XING; CUI SHU-YING
2011-01-01
A ring R is said to be weakly scmicommutative if for any a, b ∈ R,ab = 0 implies aRb C_ Nil(R), where Nil(R) is the set of all nilpotcnt elements in R.In this note, we clarify the relationship between weakly semicommutative rings and NI-rings by proving that the notion of a weakly semicommutative ring is a proper generalization of NI-rings. We say that a ring R is weakly 2-primal if the set of nilpotent elements in R coincides with its Levitzki radical, and prove that if R is a weakly 2-primal ring which satisfies oα-condition for an endomorphism α of R (that is, ab = 0 （←→） aα(b) ＝ 0 where a, b ∈ R) then the skew polynomial ring R[π; αα]is a weakly 2-primal ring, and that if R is a ring and I is an ideal of R such that I and R/I are both weakly semicommutative then R is weakly semicommutative.Those extend the main results of Liang et al. 2007 (Taiwanese J. Math., 11(5)(2007),1359-1368) considerably. Moreover, several new results about weakly semicommutative rings and NI-rings are included.
Videla, Mariela; Jacinto, Julian S; Baggio, Ricardo; Garland, María T; Singh, Priti; Kaim, Wolfgang; Slep, Leonardo D; Olabe, José A
2006-10-16
The new compound [Ru(bpy)(tpm)NO](ClO4)3 [tpm = tris(1-pyrazolyl)methane; bpy = 2,2'-bipyridine] has been prepared in a stepwise procedure that involves the conversion of [Ru(bpy)(tpm)Cl]+ into the aqua and nitro intermediates, followed by acidification. The diamagnetic complex crystallizes to exhibit distorted octahedral geometry around the metal, with the Ru-N(O) bond length 1.774(12) A and the RuNO angle 179.1(12) degrees , typical for a {RuNO}6 description. The [Ru(bpy)(tpm)NO]3+ ion (I) has been characterized by 1H NMR and IR spectroscopies (nu(NO) = 1959 cm(-1)) and through density functional theory calculations. Intense electronic transitions in the 300-350-nm region are assigned through time-dependent (TD)DFT as intraligand pi --> pi for bpy and tpm. The dpi --> pi(bpy) metal-to-ligand charge-transfer transitions appear at higher energies. Aqueous cyclic voltammetric studies show a reversible wave at 0.31 V (vs Ag/AgCl, 3 M Cl-), which shifts to 0.60 V in MeCN, along with the onset of a wave of an irreversible process at -0.2 V. The waves are assigned to the one- and two-electron reductions centered at the NO ligand, leading to species with {RuNO}(7) and {RuNO}(8) configurations, respectively. Controlled potential reduction of I in MeCN led to the [Ru(bpy)(tpm)NO]2+ ion (II), revealing a significant downward shift of nu(NO) to 1660 cm(-1) as well as changes in the electronic absorption bands. II was also characterized by electron paramagnetic resonance, showing an anisotropic signal at 110 K that arises from an S = 1/2 electronic ground state; the g-matrix components and hyperfine coupling tensor resemble the behavior of related {RuNO}7 complexes. Both I and II were characterized through their main reactivity modes, electrophilic and nucleophilic, respectively. The addition of OH- into I generated the nitro complex, with k(OH) = 3.05 x 10(6) M(-1) s(-1) (25 degrees C). This value is among the highest obtained for related nitrosyl complexes and correlates
DEFF Research Database (Denmark)
Røder, Gustav; Kristensen, Ole; Kastrup, Jette S;
2008-01-01
, the crystal structure of HLA-B*1501 in complex with a SARS coronavirus-derived nonapeptide (VQQESSFVM) has been determined at high resolution (1.87 A). The peptide is deeply anchored in the B and F pockets, but with the Glu4 residue pointing away from the floor in the peptide-binding groove, making......The human leukocyte antigen (HLA) class I system comprises a highly polymorphic set of molecules that specifically bind and present peptides to cytotoxic T cells. HLA-B*1501 is a prototypical member of the HLA-B62 supertype and only two peptide-HLA-B*1501 structures have been determined. Here...
The craft of model making: PSPACE bounds for non-iterative modal logics
Schröder, Lutz
2008-01-01
For lack of general algorithmic methods that apply to wide classes of logics, establishing a complexity bound for a given modal logic is often a laborious task. The present work is a step towards a general theory of the complexity of modal logics. Our main result is that all rank-1 logics enjoy a shallow model property and thus are, under mild assumptions on the format of their axiomatisation, in PSPACE. This leads to a unified derivation of tight PSPACE-bounds for a number of logics including K, KD, coalition logic, graded modal logic, majority logic, and probabilistic modal logic. Our generic algorithm moreover finds tableau proofs that witness pleasant proof-theoretic properties including a weak subformula property. This generality is made possible by a coalgebraic semantics, which conveniently abstracts from the details of a given model class and thus allows covering a broad range of logics in a uniform way.
A Machine Learning Approach to Predicting the Smoothed Complexity of Sorting Algorithms
Shi, Bichen; Schellekens, Michel; Ifrim, Georgiana
2015-01-01
Smoothed analysis is a framework for analyzing the complexity of an algorithm, acting as a bridge between average and worst-case behaviour. For example, Quicksort and the Simplex algorithm are widely used in practical applications, despite their heavy worst-case complexity. Smoothed complexity aims to better characterize such algorithms. Existing theoretical bounds for the smoothed complexity of sorting algorithms are still quite weak. Furthermore, empirically computing the smoothed complexit...
Physical Uncertainty Bounds (PUB)
Energy Technology Data Exchange (ETDEWEB)
Vaughan, Diane Elizabeth [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Preston, Dean L. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
2015-03-19
This paper introduces and motivates the need for a new methodology for determining upper bounds on the uncertainties in simulations of engineered systems due to limited fidelity in the composite continuum-level physics models needed to simulate the systems. We show that traditional uncertainty quantification methods provide, at best, a lower bound on this uncertainty. We propose to obtain bounds on the simulation uncertainties by first determining bounds on the physical quantities or processes relevant to system performance. By bounding these physics processes, as opposed to carrying out statistical analyses of the parameter sets of specific physics models or simply switching out the available physics models, one can obtain upper bounds on the uncertainties in simulated quantities of interest.
Liu, Xunchen; Xu, Yunjie
2011-08-21
We report a combined high resolution infrared and microwave spectroscopic investigation of the acetylene-ammonia and carbonyl sulfide-ammonia complexes using a pulsed slit-nozzle multipass absorption spectrometer based on a quantum cascade laser and a pulsed nozzle beam Fourier transform microwave spectrometer, respectively. The ro-vibrational transitions of the acetylene-ammonia complex have been measured at 6 μm in the vicinity of the ν(4) band of ammonia for the first time. The previously reported pure rotational transitions have been extended to higher J and K values with (14)N nuclear quadrupole hyperfine components detected and analyzed. The spectral analysis reveals that acetylene binds to ammonia through a C-H···N weak hydrogen bond to form a C(3v) symmetric top, consistent with the previous microwave [Fraser et al., J. Chem. Phys., 1984, 80, 1423] and infrared spectroscopic study at 3 μm [Hilpert et al., J. Chem. Phys., 1996, 105, 6183]. A parallel study has also been carried out for the carbonyl sulfide-ammonia complex whose pure rotational and ro-vibrational spectra at 6 μm have been detected and analyzed for the first time. The spectral and the subsequent structural analyses, in conjunction with the corresponding ab initio calculation, indicate that the OCS-NH(3) complex assumes C(3v) symmetry with S pointing to N of NH(3), in contrast to the T-shaped geometries obtained for the isoelectronic N(2)O-NH(3) and CO(2)-NH(3) complexes.
Idiopathic isolated orbicularis weakness
MacVie, O P; Majid, M A; Husssin, H M; Ung, T; Manners, R M; Ormerod, I; Pawade, J; Harrad, R A
2012-01-01
Purpose Orbicularis weakness is commonly associated with seventh nerve palsy or neuromuscular and myopathic conditions such as myotonic dystrophy and myasethenia gravis. We report four cases of idiopathic isolated orbicularis weakness. Methods All four cases were female and the presenting symptoms of ocular irritation and epiphora had been present for over 7 years in three patients. All patients had lagophthalmos and three had ectropion. Three patients underwent full investigations which excluded known causes of orbicularis weakness. Two patients underwent oribularis oculi muscle biopsy and histological confirmation of orbicularis atrophy. Results All patients underwent surgery to specifically address the orbicularis weakness with satisfactory outcomes and alleviation of symptoms in all cases. Isolated orbicularis weakness may be a relatively common entity that is frequently overlooked. Conclusion Early recognition of this condition may lead to better management and prevent patients undergoing unnecessary surgical procedures. PMID:22322997
Silver Complexes of Dihalogen Molecules.
Malinowski, Przemysław J; Himmel, Daniel; Krossing, Ingo
2016-08-01
The perfluorohexane-soluble and donor-free silver compound Ag(A) (A=Al(OR(F) )4 ; R(F) =C(CF3 )3 ) prepared using a facile novel route has unprecedented capabilities to form unusual and weakly bound complexes. Here, we report on the three dihalogen-silver complexes Ag(Cl2 )A, Ag(Br2 )A, and Ag(I2 )A derived from the soluble silver compound Ag(A) (characterized by single-crystal/powder XRD, Raman spectra, and quantum-mechanical calculations).
Learning within bounds and dream sleep
Geszti, T.; Pazmandi, F.
1987-12-01
In a bounded-synapses version of Hopfield's model (1984) for neural networks the quasienergy of a given memory, which is approximately equal to the depth of the corresponding energy well is calculated exactly by treating the change of a synaptic strength on learning as a random walk within bounds. Attractors corresponding to stored memories are found to be considerably flattened before serious retrieval errors arise. This allows dream sleep to be interpreted as random recall and relearning of fresh strong memories, in order to stack them on top of weak incidental memory imprints of a day.
DEFF Research Database (Denmark)
Laursen, Mette; Yatime, Laure; Nissen, Poul
2013-01-01
we describe a crystal structure of the phosphorylated pig kidney Na+,K+-ATPase in complex with the CTS representative ouabain, extending to 3.4 Å resolution. The structure provides key details on CTS binding, revealing an extensive hydrogen bonding network formed by the β-surface of the steroid core......The Na+,K+-ATPase maintains electrochemical gradients for Na+ and K+ that are critical for animal cells. Cardiotonic steroids (CTSs), widely used in the clinic and recently assigned a role as endogenous regulators of intracellular processes, are highly specific inhibitors of the Na+,K+-ATPase. Here...... of ouabain and the side chains of αM1, αM2, and αM6. Furthermore, the structure reveals that cation transport site II is occupied by Mg2+, and crystallographic studies indicate that Rb+ and Mn2+, but not Na+, bind to this site. Comparison with the low-affinity [K2]E2–MgFx–ouabain structure [Ogawa et al...
Weak decays. [Lectures, phenomenology
Energy Technology Data Exchange (ETDEWEB)
Wojcicki, S.
1978-11-01
Lectures are given on weak decays from a phenomenological point of view, emphasizing new results and ideas and the relation of recent results to the new standard theoretical model. The general framework within which the weak decay is viewed and relevant fundamental questions, weak decays of noncharmed hadrons, decays of muons and the tau, and the decays of charmed particles are covered. Limitation is made to the discussion of those topics that either have received recent experimental attention or are relevant to the new physics. (JFP) 178 references
Weakly asymptotically hyperbolic manifolds
Allen, Paul T; Lee, John M; Allen, Iva Stavrov
2015-01-01
We introduce a class of "weakly asymptotically hyperbolic" geometries whose sectional curvatures tend to $-1$ and are $C^0$, but are not necessarily $C^1$, conformally compact. We subsequently investigate the rate at which curvature invariants decay at infinity, identifying a conformally invariant tensor which serves as an obstruction to "higher order decay" of the Riemann curvature operator. Finally, we establish Fredholm results for geometric elliptic operators, extending the work of Rafe Mazzeo and John M. Lee to this setting. As an application, we show that any weakly asymptotically hyperbolic metric is conformally related to a weakly asymptotically hyperbolic metric of constant negative curvature.
de Rham, Claudia; Tolley, Andrew J; Zhou, Shuang-Yong
2016-01-01
Recently, aLIGO has announced the first direct detections of gravitational waves, a direct manifestation of the propagating degrees of freedom of gravity. The detected signals GW150914 and GW151226 have been used to examine the basic properties of these gravitational degrees of freedom, particularly setting an upper bound on their mass. It is timely to review what the mass of these gravitational degrees of freedom means from the theoretical point of view, particularly taking into account the recent developments in constructing consistent massive gravity theories. Apart from the GW150914 mass bound, a few other observational bounds have been established from the effects of the Yukawa potential, modified dispersion relation and fifth force that are all induced when the fundamental gravitational degrees of freedom are massive. We review these different mass bounds and examine how they stand in the wake of recent theoretical developments and how they compare to the bound from GW150914.
Bounding species distribution models
Directory of Open Access Journals (Sweden)
Thomas J. STOHLGREN, Catherine S. JARNEVICH, Wayne E. ESAIAS,Jeffrey T. MORISETTE
2011-10-01
Full Text Available Species distribution models are increasing in popularity for mapping suitable habitat for species of management concern. Many investigators now recognize that extrapolations of these models with geographic information systems (GIS might be sensitive to the environmental bounds of the data used in their development, yet there is no recommended best practice for “clamping” model extrapolations. We relied on two commonly used modeling approaches: classification and regression tree (CART and maximum entropy (Maxent models, and we tested a simple alteration of the model extrapolations, bounding extrapolations to the maximum and minimum values of primary environmental predictors, to provide a more realistic map of suitable habitat of hybridized Africanized honey bees in the southwestern United States. Findings suggest that multiple models of bounding, and the most conservative bounding of species distribution models, like those presented here, should probably replace the unbounded or loosely bounded techniques currently used [Current Zoology 57 (5: 642–647, 2011].
Bounding Species Distribution Models
Stohlgren, Thomas J.; Jarnevich, Cahterine S.; Morisette, Jeffrey T.; Esaias, Wayne E.
2011-01-01
Species distribution models are increasing in popularity for mapping suitable habitat for species of management concern. Many investigators now recognize that extrapolations of these models with geographic information systems (GIS) might be sensitive to the environmental bounds of the data used in their development, yet there is no recommended best practice for "clamping" model extrapolations. We relied on two commonly used modeling approaches: classification and regression tree (CART) and maximum entropy (Maxent) models, and we tested a simple alteration of the model extrapolations, bounding extrapolations to the maximum and minimum values of primary environmental predictors, to provide a more realistic map of suitable habitat of hybridized Africanized honey bees in the southwestern United States. Findings suggest that multiple models of bounding, and the most conservative bounding of species distribution models, like those presented here, should probably replace the unbounded or loosely bounded techniques currently used [Current Zoology 57 (5): 642-647, 2011].
Regioselective photochemistry in weakly bonded complexes
Shin, S. K.; Chen, Y.; Böhmer, E.; Wittig, C.
The measurements proposed above are made difficult mainly by the need for the right coherent sources. The experimental challenges of generating high-energy, tunable, picosecond or sub-picosecond, temporally synchronized, etc. pulses are formidable and may understandably frighten away many researchers. But there is no reason to believe that the development of the needed sources would not occur. On the contrary, there is every reason to be optimistic about future laser developments. After all, how many people would have predicted the present array of laser-based tools 25 years ago when the dye laser was first invented. So we not only thank Fritz Schaefer and Peter Sorokin for inventing the dye laser, but also for spawning the entire field that has evolved with, and consequent to, this seminal invention, and which continues to promote and inspire our scientific inquiries.
Structural Bounds on the Dyadic Effect
Cinelli, Matteo; Iovanella, Antonio
2016-01-01
In this paper we consider the dyadic effect introduced in complex networks when nodes are distinguished by a binary characteristic. Under these circumstances two independent parameters, namely dyadicity and heterophilicity, are able to measure how much the assigned characteristic affects the network topology. All possible configurations can be represented in a phase diagram lying in a two-dimensional space that represents the feasible region of the dyadic effect, which is bound by two upper bounds on dyadicity and heterophilicity. Using some network's structural arguments, we are able to improve such upper bounds and introduce two new lower bounds, providing a reduction of the feasible region of the dyadic effect as well as constraining dyadicity and heterophilicity within a specific range. Some computational experiences show the bounds' effectiveness and their usefulness with regards to different classes of networks.
Hosoya, Akio
2010-01-01
We develop a formal theory of the weak values with emphasis on the consistency conditions and a probabilistic interpretation in the counter-factual processes. We present the condition for the choice of the post-selected state to give a negative weak value of a given projection operator and strange values of an observable in general. The general framework is applied to Hardy's paradox and the spin $1/2$ system to explicitly address the issues of counter-factuality and strange weak values. The counter-factual arguments which characterize the paradox specifies the pre-selected state and a complete set of the post-selected states clarifies how the strange weak values emerge.
Properties of Excitons Bound to Ionized Donors
DEFF Research Database (Denmark)
Skettrup, Torben; Suffczynski, M.; Gorzkowski, W.
1971-01-01
Binding energies, interparticle distances, oscillator strengths, and exchange corrections are calculated for the three-particle complex corresponding to an exciton bound to an ionized donor. The results are given as functions of the mass ratio of the electron and hole. Binding of the complex is o...
Multicolor Bound Soliton Molecule
Luo, Rui; Lin, Qiang
2015-01-01
We show a new class of bound soliton molecule that exists in a parametrically driven nonlinear optical cavity with appropriate dispersion characteristics. The composed solitons exhibit distinctive colors but coincide in time and share a common phase, bound together via strong inter-soliton four-wave mixing and Cherenkov radiation. The multicolor bound soliton molecule shows intriguing spectral locking characteristics and remarkable capability of spectrum management to tailor soliton frequencies, which may open up a great avenue towards versatile generation and manipulation of multi-octave spanning phase-locked Kerr frequency combs, with great potential for applications in frequency metrology, optical frequency synthesis, and spectroscopy.
Eigenvalue variance bounds for covariance matrices
Dallaporta, Sandrine
2013-01-01
This work is concerned with finite range bounds on the variance of individual eigenvalues of random covariance matrices, both in the bulk and at the edge of the spectrum. In a preceding paper, the author established analogous results for Wigner matrices and stated the results for covariance matrices. They are proved in the present paper. Relying on the LUE example, which needs to be investigated first, the main bounds are extended to complex covariance matrices by means of the Tao, Vu and Wan...
Joyal, André
2009-01-01
We define weak units in a semi-monoidal 2-category $\\CC$ as cancellable pseudo-idempotents: they are pairs $(I,\\alpha)$ where $I$ is an object such that tensoring with $I$ from either side constitutes a biequivalence of $\\CC$, and $\\alpha: I \\tensor I \\to I$ is an equivalence in $\\CC$. We show that this notion of weak unit has coherence built in: Theorem A: $\\alpha$ has a canonical associator 2-cell, which automatically satisfies the pentagon equation. Theorem B: every morphism of weak units is automatically compatible with those associators. Theorem C: the 2-category of weak units is contractible if non-empty. Finally we show (Theorem E) that the notion of weak unit is equivalent to the notion obtained from the definition of tricategory: $\\alpha$ alone induces the whole family of left and right maps (indexed by the objects), as well as the whole family of Kelly 2-cells (one for each pair of objects), satisfying the relevant coherence axioms.
An ultra-weak sector, the strong CP problem and the pseudo-Goldstone dilaton
Directory of Open Access Journals (Sweden)
Kyle Allison
2015-02-01
Full Text Available In the context of a Coleman–Weinberg mechanism for the Higgs boson mass, we address the strong CP problem. We show that a DFSZ-like invisible axion model with a gauge-singlet complex scalar field S, whose couplings to the Standard Model are naturally ultra-weak, can solve the strong CP problem and simultaneously generate acceptable electroweak symmetry breaking. The ultra-weak couplings of the singlet S are associated with underlying approximate shift symmetries that act as custodial symmetries and maintain technical naturalness. The model also contains a very light pseudo-Goldstone dilaton that is consistent with cosmological Polonyi bounds, and the axion can be the dark matter of the universe. We further outline how a SUSY version of this model, which may be required in the context of Grand Unification, can avoid introducing a hierarchy problem.
Gershenson, Carlos
2011-01-01
The term complexity derives etymologically from the Latin plexus, which means interwoven. Intuitively, this implies that something complex is composed by elements that are difficult to separate. This difficulty arises from the relevant interactions that take place between components. This lack of separability is at odds with the classical scientific method - which has been used since the times of Galileo, Newton, Descartes, and Laplace - and has also influenced philosophy and engineering. In recent decades, the scientific study of complexity and complex systems has proposed a paradigm shift in science and philosophy, proposing novel methods that take into account relevant interactions.
DEFF Research Database (Denmark)
Kávai, M; Rasmussen, J M; Baatrup, G
1988-01-01
The binding of soluble complement-reacted IgM immune complexes (IC) to erythrocyte (E) C3b-C4b receptors (CR1) and the incorporation of C3b-iC3b into solid phase IgM-IC was investigated. The optimal binding of liquid phase IgM-IC to E-CR1 was obtained with IC formed at moderate antibody excess......, but the binding was low (2-3%) when compared to the binding of the corresponding IgG-IC (50-60%). Solid phase IC were prepared by coating microwells with heat-aggregated bovine serum albumin (BSA) followed by incubation with rabbit IgM anti-BSA antibody. The IC were reacted with human serum at 37 degrees C...
A holographic bound for D3-brane
Energy Technology Data Exchange (ETDEWEB)
Momeni, Davood; Myrzakul, Aizhan; Myrzakulov, Ratbay [Eurasian National University, Eurasian International Center for Theoretical Physics, Astana (Kazakhstan); Eurasian National University, Department of General Theoretical Physics, Astana (Kazakhstan); Faizal, Mir [University of British Columbia-Okanagan, Irving K. Barber School of Arts and Sciences, Kelowna, BC (Canada); University of Lethbridge, Department of Physics and Astronomy, Lethbridge, AB (Canada); Bahamonde, Sebastian [University College London, Department of Mathematics, London (United Kingdom)
2017-06-15
In this paper, we will regularize the holographic entanglement entropy, holographic complexity and fidelity susceptibility for a configuration of D3-branes. We will also study the regularization of the holographic complexity from the action for a configuration of D3-branes. It will be demonstrated that for a spherical shell of D3-branes the regularized holographic complexity is always greater than or equal to the regularized fidelity susceptibility. Furthermore, we will also demonstrate that the regularized holographic complexity is related to the regularized holographic entanglement entropy for this system. Thus, we will obtain a holographic bound involving regularized holographic complexity, regularized holographic entanglement entropy and regularized fidelity susceptibility of a configuration of D3-brane. We will also discuss a bound for regularized holographic complexity from action, for a D3-brane configuration. (orig.)
Communication complexity and information complexity
Pankratov, Denis
Information complexity enables the use of information-theoretic tools in communication complexity theory. Prior to the results presented in this thesis, information complexity was mainly used for proving lower bounds and direct-sum theorems in the setting of communication complexity. We present three results that demonstrate new connections between information complexity and communication complexity. In the first contribution we thoroughly study the information complexity of the smallest nontrivial two-party function: the AND function. While computing the communication complexity of AND is trivial, computing its exact information complexity presents a major technical challenge. In overcoming this challenge, we reveal that information complexity gives rise to rich geometrical structures. Our analysis of information complexity relies on new analytic techniques and new characterizations of communication protocols. We also uncover a connection of information complexity to the theory of elliptic partial differential equations. Once we compute the exact information complexity of AND, we can compute exact communication complexity of several related functions on n-bit inputs with some additional technical work. Previous combinatorial and algebraic techniques could only prove bounds of the form theta( n). Interestingly, this level of precision is typical in the area of information theory, so our result demonstrates that this meta-property of precise bounds carries over to information complexity and in certain cases even to communication complexity. Our result does not only strengthen the lower bound on communication complexity of disjointness by making it more exact, but it also shows that information complexity provides the exact upper bound on communication complexity. In fact, this result is more general and applies to a whole class of communication problems. In the second contribution, we use self-reduction methods to prove strong lower bounds on the information
The influence of weak impacts on certain processes of nanotechnology
Tupik, V. A.; Margolin, V. I.; Potekhin, M. S.
2017-07-01
The article deals with the influence of weak and super weak impacts on certain technological processes in nanotechnology related to the synthesis of nanoscale films and coatings. We also touch upon the impacts of weak diffraction fields of complex shape on the formation of fractal films and coatings.
Weak gravity conjecture and effective field theory
Saraswat, Prashant
2017-01-01
The weak gravity conjecture (WGC) is a proposed constraint on theories with gauge fields and gravity, requiring the existence of light charged particles and/or imposing an upper bound on the field theory cutoff Λ . If taken as a consistency requirement for effective field theories (EFTs), it rules out possibilities for model building including some models of inflation. I demonstrate simple models which satisfy all forms of the WGC, but which through Higgsing of the original gauge fields produce low-energy EFTs with gauge forces that badly violate the WGC. These models illustrate specific loopholes in arguments that motivate the WGC from a bottom-up perspective; for example the arguments based on magnetic monopoles are evaded when the magnetic confinement that occurs in a Higgs phase is accounted for. This indicates that the WGC should not be taken as a veto on EFTs, even if it turns out to be a robust property of UV quantum gravity theories. However, if the latter is true, then parametric violation of the WGC at low energy comes at the cost of nonminimal field content in the UV. I propose that only a very weak constraint is applicable to EFTs, Λ ≲(log 1/g )-1 /2Mpl , where g is the gauge coupling, motivated by entropy bounds. Remarkably, EFTs produced by Higgsing a theory that satisfies the WGC can saturate but not violate this bound.
The weak gravity conjecture and scalar fields
Palti, Eran
2017-08-01
We propose a generalisation of the Weak Gravity Conjecture in the presence of scalar fields. The proposal is guided by properties of extremal black holes in N=2 supergravity, but can be understood more generally in terms of forbidding towers of stable gravitationally bound states. It amounts to the statement that there must exist a particle on which the gauge force acts more strongly than gravity and the scalar forces combined. We also propose that the scalar force itself should act on this particle stronger than gravity. This implies that generically the mass of this particle decreases exponentially as a function of the scalar field expectation value for super-Planckian variations, which is behaviour predicted by the Refined Swampland Conjecture. In the context of N=2 supergravity the Weak Gravity Conjecture bound can be tied to bounds on scalar field distances in field space. Guided by this, we present a general proof that for any linear combination of moduli in any Calabi-Yau compactification of string theory the proper field distance grows at best logarithmically with the moduli values for super-Planckian distances.
DEFF Research Database (Denmark)
Kohlenbach, Ulrich Wilhelm
2002-01-01
We show that the so-called weak Markov's principle (WMP) which states that every pseudo-positive real number is positive is underivable in E-HA + AC. Since allows one to formalize (atl eastl arge parts of) Bishop's constructive mathematics, this makes it unlikely that WMP can be proved within the...
On closed weak supplemented modules
Institute of Scientific and Technical Information of China (English)
ZENG Qing-yi; SHI Mei-hua
2006-01-01
A module M is called closed weak supplemented if for any closed submodule N of M, there is a submodule K of M such that M=K+N and K(c)N＜＜M. Any direct summand of closed weak supplemented module is also closed weak supplemented.Any nonsingular image of closed weak supplemented module is closed weak supplemented. Nonsingular V-rings in which all nonsingular modules are closed weak supplemented are characterized in Section 4.
Hoyer, Paul
2016-01-01
Even a first approximation of bound states requires contributions of all powers in the coupling. This means that the concept of "lowest order bound state" needs to be defined. In these lectures I discuss the "Born" (no loop, lowest order in $\\hbar$) approximation. Born level states are bound by gauge fields which satisfy the classical field equations. As a check of the method, Positronium states of any momentum are determined as eigenstates of the QED Hamiltonian, quantized at equal time. Analogously, states bound by a strong external field $A^\\mu(\\xv)$ are found as eigenstates of the Dirac Hamiltonian. Their Fock states have dynamically created $e^+e^-$ pairs, whose distribution is determined by the Dirac wave function. The linear potential of $D=1+1$ dimensions confines electrons but repels positrons. As a result, the mass spectrum is continuous and the wave functions have features of both bound states and plane waves. The classical solutions of Gauss' law are explored for hadrons in QCD. A non-vanishing bo...
Bounding species distribution models
Institute of Scientific and Technical Information of China (English)
Thomas J. STOHLGREN; Catherine S. JARNEVICH; Wayne E. ESAIAS; Jeffrey T. MORISETTE
2011-01-01
Species distribution models are increasing in popularity for mapping suitable habitat for species of management concern.Many investigators now recognize that extrapolations of these models with geographic information systems (GIS) might be sensitive to the environmental bounds of the data used in their development,yet there is no recommended best practice for “clamping” model extrapolations.We relied on two commonly used modeling approaches:classification and regression tree (CART) and maximum entropy (Maxent) models,and we tested a simple alteration of the model extrapolations,bounding extrapolations to the maximum and minimum values of primary environmental predictors,to provide a more realistic map of suitable habitat of hybridized Africanized honey bees in the southwestern United States.Findings suggest that multiple models of bounding,and the most conservative bounding of species distribution models,like those presented here,should probably replace the unbounded or loosely bounded techniques currently used [Current Zoology 57 (5):642-647,2011].
Directory of Open Access Journals (Sweden)
Park Jaeok
2012-12-01
Full Text Available Abstract Background Human farnesyl pyrophosphate synthase (FPPS controls intracellular levels of farnesyl pyrophosphate, which is essential for various biological processes. Bisphosphonate inhibitors of human FPPS are valuable therapeutics for the treatment of bone-resorption disorders and have also demonstrated efficacy in multiple tumor types. Inhibition of human FPPS by bisphosphonates in vivo is thought to involve closing of the enzyme’s C-terminal tail induced by the binding of the second substrate isopentenyl pyrophosphate (IPP. This conformational change, which occurs through a yet unclear mechanism, seals off the enzyme’s active site from the solvent environment and is essential for catalysis. The crystal structure of human FPPS in complex with a novel bisphosphonate YS0470 and in the absence of a second substrate showed partial ordering of the tail in the closed conformation. Results We have determined crystal structures of human FPPS in ternary complex with YS0470 and the secondary ligands inorganic phosphate (Pi, inorganic pyrophosphate (PPi, and IPP. Binding of PPi or IPP to the enzyme-inhibitor complex, but not that of Pi, resulted in full ordering of the C-terminal tail, which is most notably characterized by the anchoring of the R351 side chain to the main frame of the enzyme. Isothermal titration calorimetry experiments demonstrated that PPi binds more tightly to the enzyme-inhibitor complex than IPP, and differential scanning fluorometry experiments confirmed that Pi binding does not induce the tail ordering. Structure analysis identified a cascade of conformational changes required for the C-terminal tail rigidification involving Y349, F238, and Q242. The residues K57 and N59 upon PPi/IPP binding undergo subtler conformational changes, which may initiate this cascade. Conclusions In human FPPS, Y349 functions as a safety switch that prevents any futile C-terminal closure and is locked in the “off” position in the
African Journals Online (AJOL)
CLEMENT O BEWAJI
Schiff bases and their complex compounds have been studied for their .... establishing coordination of the N–(2 – hydroxybenzyl) - L - α - valine Schiff base ..... (1967); “Spectrophotometric Identification of Organic Compounds”, Willey, New.
Information, Utility & Bounded Rationality
Ortega, Pedro A
2011-01-01
Perfectly rational decision-makers maximize expected utility, but crucially ignore the resource costs incurred when determining optimal actions. Here we employ an axiomatic framework for bounded rational decision-making based on a thermodynamic interpretation of resource costs as information costs. This leads to a variational "free utility" principle akin to thermodynamical free energy that trades off utility and information costs. We show that bounded optimal control solutions can be derived from this variational principle, which leads in general to stochastic policies. Furthermore, we show that risk-sensitive and robust (minimax) control schemes fall out naturally from this framework if the environment is considered as a bounded rational and perfectly rational opponent, respectively. When resource costs are ignored, the maximum expected utility principle is recovered.
Bounded Computational Capacity Equilibrium
Hernandez, Penelope
2010-01-01
We study repeated games played by players with bounded computational power, where, in contrast to Abreu and Rubisntein (1988), the memory is costly. We prove a folk theorem: the limit set of equilibrium payoffs in mixed strategies, as the cost of memory goes to 0, includes the set of feasible and individually rational payoffs. This result stands in sharp contrast to Abreu and Rubisntein (1988), who proved that when memory is free, the set of equilibrium payoffs in repeated games played by players with bounded computational power is a strict subset of the set of feasible and individually rational payoffs. Our result emphasizes the role of memory cost and of mixing when players have bounded computational power.
Bachoc, Christine; Cohen, Gerard; Sole, Patrick; Tchamkerten, Aslan
2010-01-01
The maximum size of a binary code is studied as a function of its length N, minimum distance D, and minimum codeword weight W. This function B(N,D,W) is first characterized in terms of its exponential growth rate in the limit as N tends to infinity for fixed d=D/N and w=W/N. The exponential growth rate of B(N,D,W) is shown to be equal to the exponential growth rate of A(N,D) for w <= 1/2, and equal to the exponential growth rate of A(N,D,W) for 1/2< w <= 1. Second, analytic and numerical upper bounds on B(N,D,W) are derived using the semidefinite programming (SDP) method. These bounds yield a non-asymptotic improvement of the second Johnson bound and are tight for certain values of the parameters.
Compositional encoding for bounded model checking
Institute of Scientific and Technical Information of China (English)
Jun SUN; Yang LIU; Jin Song DONG; Jing SUN
2008-01-01
Verification techniques like SAT-based bounded model checking have been successfully applied to a variety of system models. Applying bounded model checking to compositional process algebras is, however, a highly non-trivial task. One challenge is that the number of system states for process algebra models is not statically known, whereas exploring the full state space is computa-tionally expensive. This paper presents a compositional encoding of hierarchical processes as SAT problems and then applies state-of-the-art SAT solvers for bounded model checking. The encoding avoids exploring the full state space for complex systems so as to deal with state space explosion. We developed an automated analyzer which combines complementing model checking tech-niques (I.e., bounded model checking and explicit on-the-fly model checking) to validate system models against event-based temporal properties. The experiment results show the analyzer handles large systems.
Carlson, C E; Lebed, R F; Carlson, Carl E.; Carone, Christopher D.; Lebed, Richard F.
2001-01-01
Jurco, Moller, Schraml, Schupp, and Wess have shown how to construct noncommutative SU(N) gauge theories from a consistency relation. Within this framework, we present the Feynman rules for noncommutative QCD and compute explicitly the most dangerous Lorentz-violating operator generated through radiative corrections. We find that interesting effects appear at the one-loop level, in contrast to conventional noncommutative U(N) gauge theories, leading to a stringent bound. Our results are consistent with others appearing recently in the literature that suggest collider limits are not competitive with low-energy tests of Lorentz violation for bounding the scale of spacetime noncommutativity.
Weak Polarized Electron Scattering
Erler, Jens; Mantry, Sonny; Souder, Paul A
2014-01-01
Scattering polarized electrons provides an important probe of the weak interactions. Precisely measuring the parity-violating left-right cross section asymmetry is the goal of a number of experiments recently completed or in progress. The experiments are challenging, since A_{LR} is small, typically between 10^(-4) and 10^(-8). By carefully choosing appropriate targets and kinematics, various pieces of the weak Lagrangian can be isolated, providing a search for physics beyond the Standard Model. For other choices, unique features of the strong interaction are studied, including the radius of the neutron density in heavy nuclei, charge symmetry violation, and higher twist terms. This article reviews the theory behind the experiments, as well as the general techniques used in the experimental program.
Institute of Scientific and Technical Information of China (English)
苟智坚; 范明钰; 王光卫
2015-01-01
Most models about continuous opinion dynamics lack the considerations of the effects of public opinion environment on trust relationships, and when opinions have been clustered into some collections, the bounded confidence will impede the subsequent opinion interactions between individuals that come from different opinion collections. In this paper, the change mechanism of trust relationships which affected by difference of opinion and neighboring opinion environment is analyzed, the restrictions of bounded confidence on individual interactions is eliminated, and a general model for the evolution of continuous opinions without bounded confidence is proposed. The results of simulation and of analysis show that our model not only reflect the opinions polymerization process, but also reflect the subsequent opinion interactions between individuals in different opinion collections after opinions have been aggregated. In addition, our model can do better at reflecting and explaining the process of opinion evolution, and it is consistent with existing search conclusions that the opinions consensus probability will be reduce if the clustering coefficient of complex network has been increased and will be increased with the addition of average degree.%多数的连续观点演化模型中，缺少考虑舆论环境对信任关系的影响，同时信任边界条件使得观点演化聚合之后，各观点集合中的个体无法进行后续观点交互。该文分析个体观点差异以及邻居舆论环境对交互过程中信任关系的影响，消除信任边界对观点交互更新的限制，建立无观点信任边界限制的连续观点演化模型，并研究该模型观点演化统一的影响机制。理论分析与仿真实验表明：该模型不单可以反映观点演化的聚合过程，而且能反映舆论演化聚合之后各观点集合之间的竞争交互过程，模型可描述观点集合形成后的观点有序集合的变化；同时，模
Energy Technology Data Exchange (ETDEWEB)
Suzuki, M.
1988-04-01
Dynamical mechanism of composite W and Z is studied in a 1/N field theory model with four-fermion interactions in which global weak SU(2) symmetry is broken explicitly by electromagnetic interaction. Issues involved in such a model are discussed in detail. Deviation from gauge coupling due to compositeness and higher order loop corrections are examined to show that this class of models are consistent not only theoretically but also experimentally.
Upper bounds for domination related parameters in graphs on surfaces
Directory of Open Access Journals (Sweden)
Vladimir Samodivkin
2016-08-01
Full Text Available In this paper we give tight upper bounds on the total domination number, the weakly connected domination number and the connected domination number of a graph in terms of order and Euler characteristic. We also present upper bounds for the restrained bondage number, the total restrained bondage number and the restricted edge connectivity of graphs in terms of the orientable/nonorientable genus and maximum degree.
Appell, Jürgen; Merentes Díaz, Nelson José
2013-01-01
This monographis a self-contained exposition of the definition and properties of functionsof bounded variation and their various generalizations; the analytical properties of nonlinear composition operators in spaces of such functions; applications to Fourier analysis, nonlinear integral equations, and boundary value problems. The book is written for non-specialists. Every chapter closes with a list of exercises and open problems.
DEFF Research Database (Denmark)
Emiris, Ioannis Z.; Mourrain, Bernard; Tsigaridas, Elias
2010-01-01
of variables. One application is to the bitsize of the eigenvalues and eigenvectors of an integer matrix, which also yields a new proof that the problem is polynomial. We also compare against recent lower bounds on the absolute value of the root coordinates by Brownawell and Yap [5], obtained under...
Asymptotic theory of weakly dependent random processes
Rio, Emmanuel
2017-01-01
Presenting tools to aid understanding of asymptotic theory and weakly dependent processes, this book is devoted to inequalities and limit theorems for sequences of random variables that are strongly mixing in the sense of Rosenblatt, or absolutely regular. The first chapter introduces covariance inequalities under strong mixing or absolute regularity. These covariance inequalities are applied in Chapters 2, 3 and 4 to moment inequalities, rates of convergence in the strong law, and central limit theorems. Chapter 5 concerns coupling. In Chapter 6 new deviation inequalities and new moment inequalities for partial sums via the coupling lemmas of Chapter 5 are derived and applied to the bounded law of the iterated logarithm. Chapters 7 and 8 deal with the theory of empirical processes under weak dependence. Lastly, Chapter 9 describes links between ergodicity, return times and rates of mixing in the case of irreducible Markov chains. Each chapter ends with a set of exercises. The book is an updated and extended ...
DEFF Research Database (Denmark)
Haagerup, Uffe; Knudby, Søren
2015-01-01
The weak Haagerup property for locally compact groups and the weak Haagerup constant were recently introduced by the second author [27]. The weak Haagerup property is weaker than both weak amenability introduced by Cowling and the first author [9] and the Haagerup property introduced by Connes [6......] and Choda [5]. In this paper, it is shown that a connected simple Lie group G has the weak Haagerup property if and only if the real rank of G is zero or one. Hence for connected simple Lie groups the weak Haagerup property coincides with weak amenability. Moreover, it turns out that for connected simple...... Lie groups the weak Haagerup constant coincides with the weak amenability constant, although this is not true for locally compact groups in general. It is also shown that the semidirect product R2 × SL(2,R) does not have the weak Haagerup property....
On properties of (weakly) small groups
Milliet, Cédric
2011-01-01
A group is small if it has countably many complete $n$-types over the empty set for each natural number n. More generally, a group $G$ is weakly small if it has countably many complete 1-types over every finite subset of G. We show here that in a weakly small group, subgroups which are definable with parameters lying in a finitely generated algebraic closure satisfy the descending chain conditions for their traces in any finitely generated algebraic closure. An infinite weakly small group has an infinite abelian subgroup, which may not be definable. A small nilpotent group is the central product of a definable divisible group with a definable one of bounded exponent. In a group with simple theory, any set of pairwise commuting elements is contained in a definable finite-by-abelian subgroup. First corollary : a weakly small group with simple theory has an infinite definable finite-by-abelian subgoup. Secondly, in a group with simple theory, a normal solvable group A of derived length n is contained in an A-def...
On Resolution Complexity of Matching Principles
DEFF Research Database (Denmark)
Dantchev, Stefan S.
Chessboard as well as for Tseitin tautologies based on rectangular grid graph. We reduce these problems to Tiling games, a concept introduced by us, which may be of interest on its own. Secondly, we find the exact Tree-Resolution complexity of the Weak Pigeon-Hole Principle. It is the most studied...... are first introduced by us, as a concept opposite to the optimal proofs. Thirdly, we prove Resolution width-size trade-offs for the Pigeon-Hole Principle. Proving the size lower bounds via the width lower bounds was known since the seminal paper of Haken, who first proved an exponential lower bound...... for the ordinary Pigeon-Hole Principle. The width-size trade-offs however were not studied at all prior to our work. Our result gives an optimal width-size trade-off for resolution in general....
On Entropy Bounds and Holography
Halyo, Edi
2009-01-01
We show that the holographic entropy bound for gravitational systems and the Bekenstein entropy bound for nongravitational systems are holographically related. Using the AdS/CFT correspondence, we find that the Bekenstein bound on the boundary is obtained from the holographic bound in the bulk by minimizing the boundary energy with respect the AdS radius or the cosmological constant. This relation may also ameliorate some problems associated with the Bekenstein bound.
Institute of Scientific and Technical Information of China (English)
WANG Baocang; LIU Shuanggen; HU Yupu
2006-01-01
The security of the RSA system with the prime pairs of some special form is investigated. A new special-purpose algorithm for factoring RSA numbers is proposed. The basic idea of the method is to factor RSA numbers by factoring a well-chosen quadratic polynomial with integral coefficients. When viewed as a general-purpose algorithm, the new algorithm has a high computational complexity. It is shown that the RSA number n=pq can be easily factored if p and q have the special form of p=as+b, q=cs+d, where a, b, c, d are relatively small numbers. Such prime pairs (p, q) are the weak keys of RSA, so when we generate RSA modulus, we should avoid using such prime pairs (p, q).
Erler, Jens
2013-01-01
This is a review of electroweak precision physics with particular emphasis on low-energy precision measurements in the neutral current sector of the electroweak theory and includes future experimental prospects and the theoretical challenges one faces to interpret these observables. Within the minimal Standard Model they serve as determinations of the weak mixing angle which are competitive with and complementary to those obtained near the Z-resonance. In the context of new physics beyond the Standard Model these measurements are crucial to discriminate between models and to reduce the allowed parameter space within a given model. We illustrate this for the minimal supersymmetric Standard Model with or without R-parity.
Measurement of weak radioactivity
Theodorsson , P
1996-01-01
This book is intended for scientists engaged in the measurement of weak alpha, beta, and gamma active samples; in health physics, environmental control, nuclear geophysics, tracer work, radiocarbon dating etc. It describes the underlying principles of radiation measurement and the detectors used. It also covers the sources of background, analyzes their effect on the detector and discusses economic ways to reduce the background. The most important types of low-level counting systems and the measurement of some of the more important radioisotopes are described here. In cases where more than one type can be used, the selection of the most suitable system is shown.
Weakly broken galileon symmetry
Energy Technology Data Exchange (ETDEWEB)
Pirtskhalava, David [Scuola Normale Superiore, Piazza dei Cavalieri 7, 56126 Pisa (Italy); Santoni, Luca; Trincherini, Enrico [Scuola Normale Superiore, Piazza dei Cavalieri 7, 56126 Pisa (Italy); INFN, Sezione di Pisa, Piazza dei Cavalieri 7, 56126 Pisa (Italy); Vernizzi, Filippo [Institut de Physique Théorique, Université Paris Saclay, CEA, CNRS, Gif-sur-Yvette cédex, F-91191 (France)
2015-09-01
Effective theories of a scalar ϕ invariant under the internal galileon symmetryϕ→ϕ+b{sub μ}x{sup μ} have been extensively studied due to their special theoretical and phenomenological properties. In this paper, we introduce the notion of weakly broken galileon invariance, which characterizes the unique class of couplings of such theories to gravity that maximally retain their defining symmetry. The curved-space remnant of the galileon’s quantum properties allows to construct (quasi) de Sitter backgrounds largely insensitive to loop corrections. We exploit this fact to build novel cosmological models with interesting phenomenology, relevant for both inflation and late-time acceleration of the universe.
Quantum Signature Scheme with Weak Arbitrator
Luo, Ming-Xing; Chen, Xiu-Bo; Yun, Deng; Yang, Yi-Xian
2012-07-01
In this paper, we propose one quantum signature scheme with a weak arbitrator to sign classical messages. This scheme can preserve the merits in the original arbitrated scheme with some entanglement resources, and provide a higher efficiency in transmission and reduction the complexity of implementation. The arbitrator is costless and only involved in the disagreement case.
A Holographic Bound for D3-Brane
Momeni, Davood; Bahamonde, Sebastian; Myrzakul, Aizhan; Myrzakulov, Ratbay
2016-01-01
In this paper, we will calculate the holographic entanglement entropy, holographic complexity, and fidelity susceptibility for a D3-brane. It will be demonstrated that for a D3-brane the holographic complexity is always greater than or equal to than the fidelity susceptibility. Furthermore, we will also demonstrate that the holographic complexity is related to the holographic entanglement entropy for this system. Thus, we will obtain a holographic bound involving holographic complexity, holographic entanglement entropy and fidelity susceptibility of a D3-brane.
Quantum bounds for ordered searching and sorting
Hoyer, P; Shi, Y; Hoyer, Peter; Neerbek, Jan; Shi, Yaoyun
2001-01-01
We consider the quantum complexities of searching an ordered list and sorting an un-ordered list. For searching an ordered list of N elements, we prove a lower bound of \\frac{1}{\\pi}(\\ln(N)-1) on the number of oracle queries that access the list elements. This improves the previously best lower bound of ({1/12}\\log_2(N) - O(1)) due to Ambainis. For sorting N numbers, we prove a lower bound of \\frac{N}{2\\pi}(\\ln(N)-1) on the number of binary comparisons. The previously best lower bound is \\Omega(N). Our proofs are based on a weighted all-pairs inner product argument, and our results generalize to bounded error quantum algorithms. Both results are proven in the so-called quantum black box model, a quantum analogue of classical decision trees. In addition to our lower bound results, we give an exact quantum algorithm for ordered searching using (\\log_3(N) + O(1)) queries, which is roughly 0.631 \\log_2(N). Although our algorithm is worse than that of Farhi, Goldstone, Gutmann and Sipser, which makes 0.526 \\log_2(...
Bounded Satisfiability for PCTL
Bertrand, Nathalie; Schewe, Sven
2012-01-01
While model checking PCTL for Markov chains is decidable in polynomial-time, the decidability of PCTL satisfiability, as well as its finite model property, are long standing open problems. While general satisfiability is an intriguing challenge from a purely theoretical point of view, we argue that general solutions would not be of interest to practitioners: such solutions could be too big to be implementable or even infinite. Inspired by bounded synthesis techniques, we turn to the more applied problem of seeking models of a bounded size: we restrict our search to implementable -- and therefore reasonably simple -- models. We propose a procedure to decide whether or not a given PCTL formula has an implementable model by reducing it to an SMT problem. We have implemented our techniques and found that they can be applied to the practical problem of sanity checking -- a procedure that allows a system designer to check whether their formula has an unexpectedly small model.
Description of Wiener bounds of multicomponent composites by barycentric coordinates
Peiponen, Kai-Erik; Gornov, Evgeny
2006-07-01
Wiener bounds for effective complex permittivity of multicomponent composites are treated by use of barycentric coordinates, a convex hull, and conformal mapping in a complex plane. Depending on the complexity of the multiphase system, the bounds provide singly or multiply connected regions that can be used in estimating the limits of the effective permittivity of the composite. The present modeling is important, e.g., in estimating spectral properties of nanocomposites in engineering and nanomedicine and in terahertz-based security imaging.
Asymmetric dark matter bound state
Bi, Xiao-Jun; Kang, Zhaofeng; Ko, P.; Li, Jinmian; Li, Tianjun
2017-02-01
We propose an interesting framework for asymmetric scalar dark matter (ADM), which has novel collider phenomenology in terms of an unstable ADM bound state (ADMonium) produced via Higgs portals. ADMonium is a natural consequence of the basic features of ADM: the (complex scalar) ADM is charged under a dark local U (1 )d symmetry which is broken at a low scale and provides a light gauge boson X . The dark gauge coupling is strong and then ADM can annihilate away into X -pair effectively. Therefore, the ADM can form a bound state due to its large self-interaction via X mediation. To explore the collider signature of ADMonium, we propose that ADM has a two-Higgs doublet portal. The ADMonium can have a sizable mixing with the heavier Higgs boson, which admits a large cross section of ADMonium production associated with b b ¯. The resulting signature at the LHC depends on the decays of X . In this paper we consider a case of particular interest: p p →b b ¯ +ADMonium followed by ADMonium→2 X →2 e+e- where the electrons are identified as (un)converted photons. It may provide a competitive explanation to heavy di-photon resonance searches at the LHC.
Alberico, W M
2004-01-01
The focus of these Lectures is on the weak decay modes of hypernuclei, with special attention to Lambda-hypernuclei. The subject involves many fields of modern theoretical and experimental physics, from nuclear structure to the fundamental constituents of matter and their interactions. The various weak decay modes of Lambda-hypernuclei are described: the mesonic mode and the non-mesonic ones. The latter are the dominant decay channels of medium--heavy hypernuclei, where, on the contrary, the mesonic decay is disfavoured by Pauli blocking effect on the outgoing nucleon. In particular, one can distinguish between one-body and two-body induced decays. Theoretical models employed to evaluate the (partial and total) decay widths of hypernuclei are illustrated, and their results compared with existing experimental data. Open problems and recent achievements are extensively discussed, in particular the determination of the ratio Gamma_n/Gamma_p, possible tests of the Delta I=1/2 rule in non-mesonic decays and the pu...
Jolley, Sarah E; Bunnell, Aaron E; Hough, Catherine L
2016-11-01
Survivorship after critical illness is an increasingly important health-care concern as ICU use continues to increase while ICU mortality is decreasing. Survivors of critical illness experience marked disability and impairments in physical and cognitive function that persist for years after their initial ICU stay. Newfound impairment is associated with increased health-care costs and use, reductions in health-related quality of life, and prolonged unemployment. Weakness, critical illness neuropathy and/or myopathy, and muscle atrophy are common in patients who are critically ill, with up to 80% of patients admitted to the ICU developing some form of neuromuscular dysfunction. ICU-acquired weakness (ICUAW) is associated with longer durations of mechanical ventilation and hospitalization, along with greater functional impairment for survivors. Although there is increasing recognition of ICUAW as a clinical entity, significant knowledge gaps exist concerning identifying patients at high risk for its development and understanding its role in long-term outcomes after critical illness. This review addresses the epidemiologic and pathophysiologic aspects of ICUAW; highlights the diagnostic challenges associated with its diagnosis in patients who are critically ill; and proposes, to our knowledge, a novel strategy for identifying ICUAW. Copyright © 2016 American College of Chest Physicians. Published by Elsevier Inc. All rights reserved.
Reaching Fleming's dicrimination bound
Gruebl, Gebhard
2012-01-01
Any rule for identifying a quantum system's state within a set of two non-orthogonal pure states by a single measurement is flawed. It has a non-zero probability of either yielding the wrong result or leaving the query undecided. This also holds if the measurement of an observable $A$ is repeated on a finite sample of $n$ state copies. We formulate a state identification rule for such a sample. This rule's probability of giving the wrong result turns out to be bounded from above by $1/n\\delta_{A}^{2}$ with $\\delta_{A}=|_{1}-_{2}|/(\\Delta_{1}A+\\Delta_{2}A).$ A larger $\\delta_{A}$ results in a smaller upper bound. Yet, according to Fleming, $\\delta_{A}$ cannot exceed $\\tan\\theta$ with $\\theta\\in(0,\\pi/2) $ being the angle between the pure states under consideration. We demonstrate that there exist observables $A$ which reach the bound $\\tan\\theta$ and we determine all of them.
A sharp upper bound for departure from normality
Energy Technology Data Exchange (ETDEWEB)
Lee, S.L.
1993-08-01
The departure from normality of a matrix is a real scalar that is impractical to compute if a matrix is large and its eigenvalues are unknown. A simple formula is presented for computing an upper bound for departure from normality in the Frobenius norm. This new upper bound is cheaper to compute than the upper bound derived by Henrici. Moreover, the new bound is sharp for Hermitian matrices, skew-Hermitian matrices and, in general, any matrix with eigenvalues that are horizontally or vertically aligned in the complex plane. In terms of applications, the new bound can be used in computing bounds for the spectral norm of matrix functions or bounds for the sensitivity of eigenvalues to matrix perturbations.
What Weak Measurements and Weak Values Really Mean: Reply to Kastner
Cohen, Eliahu
2017-06-01
Despite their important applications in metrology and in spite of numerous experimental demonstrations, weak measurements are still confusing for part of the community. This sometimes leads to unjustified criticism. Recent papers have experimentally clarified the meaning and practical significance of weak measurements, yet in Kastner (Found Phys 47:697-707, 2017), Kastner seems to take us many years backwards in the the debate, casting doubt on the very term "weak value" and the meaning of weak measurements. Kastner appears to ignore both the basics and frontiers of weak measurements and misinterprets the weak measurement process and its outcomes. In addition, she accuses the authors of Aharonov et al. (Ann Phys 355:258-268, 2015) in statements completely opposite to the ones they have actually made. There are many points of disagreement between Kastner and us, but in this short reply I will leave aside the ontology (which is indeed interpretational and far more complex than that described by Kastner) and focus mainly on the injustice in her criticism. I shall add some general comments regarding the broader theory of weak measurements and the two-state-vector formalism, as well as supporting experimental results. Finally, I will point out some recent promising results, which can be proven by (strong) projective measurements, without the need of employing weak measurements.
Hyperquarks and bosonic preon bound states
Schmid, Michael L.; Buchmann, Alfons J.
2009-11-01
In a model in which leptons, quarks, and the recently introduced hyperquarks are built up from two fundamental spin-(1)/(2) preons, the standard model weak gauge bosons emerge as preon bound states. In addition, the model predicts a host of new composite gauge bosons, in particular, those responsible for hyperquark and proton decay. Their presence entails a left-right symmetric extension of the standard model weak interactions and a scheme for a partial and grand unification of nongravitational interactions based on, respectively, the effective gauge groups SU(6)P and SU(9)G. This leads to a prediction of the Weinberg angle at low energies in good agreement with experiment. Furthermore, using evolution equations for the effective coupling strengths, we calculate the partial and grand unification scales, the hyperquark mass scale, as well as the mass and decay rate of the lightest hyperhadron.
Hyperquarks and bosonic preon bound states
Schmid, Michael L
2013-01-01
In a model in which leptons, quarks, and the recently introduced hyperquarks are built up from two fundamental spin 1/2 preons, the standard model weak gauge bosons emerge as preon bound states. In addition, the model predicts a host of new composite gauge bosons, in particular those responsible for hyperquark and proton decay. Their presence entails a left-right symmetric extension of the standard model weak interactions and a scheme for a partial and grand unification of nongravitational interactions based on respectively the effective gauge groups SU(6)_P and SU(9)_G. This leads to a prediction of the Weinberg angle at low energies in good agreement with experiment. Furthermore, using evolution equations for the effective coupling strengths, we calculate the partial and grand unification scales, the hyperquark mass scale, as well as the mass and decay rate of the lightest hyperhadron.
Subsystem-DFT potential-energy curves for weakly interacting systems.
Schlüns, Danny; Klahr, Kevin; Mück-Lichtenfeld, Christian; Visscher, Lucas; Neugebauer, Johannes
2015-06-14
Kohn-Sham density-functional theory (DFT) within the local-density approximation (LDA) or the generalized-gradient approximation (GGA) is known to fail for the correct description of London dispersion interactions. Often, not even bound potential-energy surfaces are obtained for van der Waals complexes, unless special correction schemes are employed. In contrast to that, there has been some evidence for the fact that subsystem-based density functional theory produces interaction energies for weakly bound systems which are superior to Kohn-Sham DFT results without dispersion corrections. This is usually attributed to an error cancellation between the approximate exchange-correlation and non-additive kinetic-energy functionals employed in subsystem DFT. Here, we investigate the accuracy of subsystem DFT for weakly interacting systems in detail, paying special attention to the shape of the potential-energy surfaces (PESs). Our test sets include the extensive S22x5 and S66x8 data sets. Our results indicate that subsystem DFT PESs strongly vary depending on the functional. LDA results are usually quite good, but behave differently from their KS counterparts. GGA results from the popular Perdew-Wang (PW91) set of functionals produce PESs that are often, but not in general overbinding. Results from Becke-Perdew (BP86) GGAs, by contrast, show the typical problems known from the corresponding KS results. We provide some preliminary results for empirical corrections for both PW91 and BP86 in subsystem DFT.
BOUNDING PYRAMIDS AND BOUNDING CONES FOR TRIANGULAR BEZIER SURFACES
Institute of Scientific and Technical Information of China (English)
Jian-song Deng; Fa-lai Chen; Li-li Wang
2000-01-01
This paper describes practical approaches on how to construct bounding pyramids and bounding cones for triangular Bézier surfaces. Examples are provided to illustrate the process of construction and comparison is made between various surface bounding volumes. Furthermore, as a starting point for the construction,we provide a way to compute hodographs of triangular Bézier surfaces and improve the algorithm for computing the bounding cone of a set of vectors.
Kaplan, L
1998-01-01
We examine the consequences of classical ergodicity for the localization properties of individual quantum eigenstates in the classical limit. We note that the well known Schnirelman result is a weaker form of quantum ergodicity than the one implied by random matrix theory. This suggests the possibility of systems with non-gaussian random eigenstates which are nonetheless ergodic in the sense of Schnirelman and lead to ergodic transport in the classical limit. These we call "weakly quantum ergodic.'' Indeed for a class of "slow ergodic" classical systems, it is found that each eigenstate becomes localized to an ever decreasing fraction of the available state space, in the semiclassical limit. Nevertheless, each eigenstate in this limit covers phase space evenly on any classical scale, and long-time transport properties betwen individual quantum states remain ergodic due to the diffractive effects which dominate quantum phase space exploration.
Fast detection of weak targets in complex sea-sky background%复杂海空背景下弱小目标的快速自动检测
Institute of Scientific and Technical Information of China (English)
曾文静; 万磊; 张铁栋; 徐玉如
2012-01-01
针对海面运动载体的可见光序列图像,结合复杂海空背景图像的特点,提出了一种不以检测海天线为前提的弱小目标检测方法.首先,修复图像中被高亮度噪声损毁的部分,如曝光区域或反光区域；接着,量化子图像的区域复杂度以及单元区域上下邻域的灰度差异,据此来判断海天线区域是否存在,若存在则预测海天线区域的位置,否则放弃后续处理；然后,采取Mean-shift分割算法中先滤波后聚类的策略,使用周围纹理抑制滤波来平滑海天线区域,并以像素点和点集为单位对平滑图像进行聚类；最后,将最大面积区域与其他区域分离来二值化图像,完成目标提取.试验证明,该方法能够很好地定位目标信息,单帧处理平均耗时为35 ms,具有准确性和实时性.%Without detection of the location of sea-sky line in advance, a feasible method combining with the characters of marine visible images and a complex sea-sky background was proposed to detect distant weak targets in the sequential images from a surface vehicle. Firstly, the images damaged by the noise such as exposures and reflections was mended by the border color of ruined range. Then, the complexity of sub-images and their neighborhood average gray difference were measured to predict the sea-sky region. If the sea-sky region was obtained, the location of the sea-sky should be predicted. Otherwise,the consequent process of images could be eliminated. The strategy of filtering and clustering in Mean-shift segmentation was adopted,in which the surround suppression filter was applied to smoothing the sea-sky region and the smoothed image was clustered by taking the pixels and points as units. Finally, the largest region was assumed to be the background and the rest was taken as target information. The experiment results prove that this method can locate the objects efficiently and the time cost is 35 ms/frame, which is robust and real-time.
Neuman, Nicolás I; Perec, Mireille; González, Pablo J; Passeggi, Mario C G; Rizzi, Alberto C; Brondino, Carlos D
2010-12-23
We report powder and single crystal EPR measurements of [Cu(tda)(phen)](2)·H(2)tda (tda = thiodiacetate, phen = phenanthroline) at 9.7 GHz. This compound consists of centrosymmetric copper(II) ion dimers, weakly ferromagnetically exchange-coupled (J = +3.2 cm(-1)), in which the dimeric units are linked by hydrophobic chemical paths involving the phen molecules. EPR revealed that the triplet spectra are collapsed by interdimeric exchange interactions mediated by that chemical path. Analysis and simulation of the single crystal EPR spectra were performed using Anderson's exchange narrowing model, together with statistical arguments. This approach allowed us to interpret the spectra modulated by the interdimeric interactions in situations of weak, intermediate, and strong exchange. We evaluated an interdimeric exchange constant J' = 0.0070(3) cm(-1), indicating that hydrophobic paths can transmit weak exchange interactions between centers at relatively long distances of the order of ∼10 Å.
DECAY ESTIMATES FOR ISENTROPIC COMPRESSIBLE MAGNETOHYDRODYNAMIC EQUATIONS IN BOUNDED DOMAIN
Institute of Scientific and Technical Information of China (English)
Mohamed Ahmed Abdallah; Jiang Fei; Tan Zhong
2012-01-01
In this paper,under the hypothesis that (o) is upper bounded,we construct a Lyapunov functional for the multidimensional isentropic compressible magnetohydrodynamic equations and show that the weak solutions decay exponentially to the equilibrium state in L2 norm.Our result verifies that the method of Daoyuan Fang,Ruizhao Zi and Ting Zhang [1] can be adapted to magnetohydrodynamic equations.
Critical SQG in bounded domains
Constantin, Peter; Ignatova, Mihaela
2016-01-01
We consider the critical dissipative SQG equation in bounded domains, with the square root of the Dirichlet Laplacian dissipation. We prove global a priori interior $C^{\\alpha}$ and Lipschitz bounds for large data.
Energy Technology Data Exchange (ETDEWEB)
Maldacena, Juan [School of Natural Sciences, Institute for Advanced Study,1 Einstein Drive, Princeton, NJ (United States); Shenker, Stephen H. [Stanford Institute for Theoretical Physics and Department of Physics, Stanford University,382 Via Pueblo Mall, Stanford, CA (United States); Stanford, Douglas [School of Natural Sciences, Institute for Advanced Study,1 Einstein Drive, Princeton, NJ (United States)
2016-08-17
We conjecture a sharp bound on the rate of growth of chaos in thermal quantum systems with a large number of degrees of freedom. Chaos can be diagnosed using an out-of-time-order correlation function closely related to the commutator of operators separated in time. We conjecture that the influence of chaos on this correlator can develop no faster than exponentially, with Lyapunov exponent λ{sub L}≤2πk{sub B}T/ℏ. We give a precise mathematical argument, based on plausible physical assumptions, establishing this conjecture.
DEFF Research Database (Denmark)
Faupin, Jeremy; Møller, Jacob Schach; Skibsted, Erik
2011-01-01
We study regularity of bound states pertaining to embedded eigenvalues of a self-adjoint operator H, with respect to an auxiliary operator A that is conjugate to H in the sense of Mourre. We work within the framework of singular Mourre theory which enables us to deal with confined massless Pauli–......–Fierz models, our primary example, and many-body AC-Stark Hamiltonians. In the simpler context of regular Mourre theory, our results boil down to an improvement of results obtained recently in [8, 9]....
Maldacena, Juan; Stanford, Douglas
2015-01-01
We conjecture a sharp bound on the rate of growth of chaos in thermal quantum systems with a large number of degrees of freedom. Chaos can be diagnosed using an out-of-time-order correlation function closely related to the commutator of operators separated in time. We conjecture that the influence of chaos on this correlator can develop no faster than exponentially, with Lyapunov exponent $\\lambda_L \\le 2 \\pi k_B T/\\hbar$. We give a precise mathematical argument, based on plausible physical assumptions, establishing this conjecture.
Delay Bounds for Multiclass FIFO
Jiang, Yuming; Misra, Vishal
2016-01-01
FIFO is perhaps the simplest scheduling discipline. For single-class FIFO, its delay guarantee performance has been extensively studied: The well-known results include a stochastic delay bound for $GI/GI/1$ by Kingman and a deterministic delay bound for $D/D/1$ by Cruz. However, for multiclass FIFO, few such results are available. To fill the gap, we prove delay bounds for multiclass FIFO in this work, considering both deterministic and stochastic cases. Specifically, delay bounds are present...
Bounded link prediction in very large networks
Cui, Wei; Pu, Cunlai; Xu, Zhongqi; Cai, Shimin; Yang, Jian; Michaelson, Andrew
2016-09-01
Evaluating link prediction methods is a hard task in very large complex networks due to the prohibitive computational cost. However, if we consider the lower bound of node pairs' similarity scores, this task can be greatly optimized. In this paper, we study CN index in the bounded link prediction framework, which is applicable to enormous heterogeneous networks. Specifically, we propose a fast algorithm based on the parallel computing scheme to obtain all node pairs with CN values larger than the lower bound. Furthermore, we propose a general measurement, called self-predictability, to quantify the performance of similarity indices in link prediction, which can also indicate the link predictability of networks with respect to given similarity indices.
Anomalously Weak Solar Convection
Hanasoge, Shravan M.; Duvall, Thomas L.; Sreenivasan, Katepalli R.
2012-01-01
Convection in the solar interior is thought to comprise structures on a spectrum of scales. This conclusion emerges from phenomenological studies and numerical simulations, though neither covers the proper range of dynamical parameters of solar convection. Here, we analyze observations of the wavefield in the solar photosphere using techniques of time-distance helioseismology to image flows in the solar interior. We downsample and synthesize 900 billion wavefield observations to produce 3 billion cross-correlations, which we average and fit, measuring 5 million wave travel times. Using these travel times, we deduce the underlying flow systems and study their statistics to bound convective velocity magnitudes in the solar interior, as a function of depth and spherical- harmonic degree l..Within the wavenumber band l convective velocities are 20-100 times weaker than current theoretical estimates. This constraint suggests the prevalence of a different paradigm of turbulence from that predicted by existing models, prompting the question: what mechanism transports the heat flux of a solar luminosity outwards? Advection is dominated by Coriolis forces for wavenumbers l convection may be quasi-geostrophic. The fact that isorotation contours in the Sun are not coaligned with the axis of rotation suggests the presence of a latitudinal entropy gradient.
DEFF Research Database (Denmark)
Nielson, Hanne Riis; Nielson, Flemming
1992-01-01
they obtain a quadratic bound. These bounds are shown to be tight. Specializing the case of strict and additive functions to functionals of a form that would correspond to iterative programs they show that a linear bound is tight. This is related to several analyses studied in the literature (including...
Error bounds for set inclusions
Institute of Scientific and Technical Information of China (English)
ZHENG; Xiyin(郑喜印)
2003-01-01
A variant of Robinson-Ursescu Theorem is given in normed spaces. Several error bound theorems for convex inclusions are proved and in particular a positive answer to Li and Singer's conjecture is given under weaker assumption than the assumption required in their conjecture. Perturbation error bounds are also studied. As applications, we study error bounds for convex inequality systems.
From strong to weak coupling in holographic models of thermalization
Energy Technology Data Exchange (ETDEWEB)
Grozdanov, Sašo; Kaplis, Nikolaos [Instituut-Lorentz for Theoretical Physics, Leiden University,Niels Bohrweg 2, Leiden 2333 CA (Netherlands); Starinets, Andrei O. [Rudolf Peierls Centre for Theoretical Physics, University of Oxford,1 Keble Road, Oxford OX1 3NP (United Kingdom)
2016-07-29
We investigate the analytic structure of thermal energy-momentum tensor correlators at large but finite coupling in quantum field theories with gravity duals. We compute corrections to the quasinormal spectra of black branes due to the presence of higher derivative R{sup 2} and R{sup 4} terms in the action, focusing on the dual to N=4 SYM theory and Gauss-Bonnet gravity. We observe the appearance of new poles in the complex frequency plane at finite coupling. The new poles interfere with hydrodynamic poles of the correlators leading to the breakdown of hydrodynamic description at a coupling-dependent critical value of the wave-vector. The dependence of the critical wave vector on the coupling implies that the range of validity of the hydrodynamic description increases monotonically with the coupling. The behavior of the quasinormal spectrum at large but finite coupling may be contrasted with the known properties of the hierarchy of relaxation times determined by the spectrum of a linearized kinetic operator at weak coupling. We find that the ratio of a transport coefficient such as viscosity to the relaxation time determined by the fundamental non-hydrodynamic quasinormal frequency changes rapidly in the vicinity of infinite coupling but flattens out for weaker coupling, suggesting an extrapolation from strong coupling to the kinetic theory result. We note that the behavior of the quasinormal spectrum is qualitatively different depending on whether the ratio of shear viscosity to entropy density is greater or less than the universal, infinite coupling value of ℏ/4πk{sub B}. In the former case, the density of poles increases, indicating a formation of branch cuts in the weak coupling limit, and the spectral function shows the appearance of narrow peaks. We also discuss the relation of the viscosity-entropy ratio to conjectured bounds on relaxation time in quantum systems.
The Weak Expectation Property and Riesz Interpolation
Kavruk, Ali S
2012-01-01
We show that Lance's weak expectation property is connected to tight Riesz interpolations in lattice theory. More precisely we first prove that if A \\subset B(H) is a unital C*-subalgebra, where B(H) is the bounded linear operators on a Hilbert space H, then A has (2,2) tight Riesz interpolation property in B(H) (defined below). An extension of this requires an additional assumption on A: A has (2,3) tight Riesz interpolation property in B(H) at every matricial level if and only if A has the weak expectation property. Let $J = span{(1,1,-1,-1,-1)}$ in $C^5$ . We show that a unital C*-algebra A has the weak expectation property if and only if $A \\otimesmin (C^5/J) = A \\otimesmax (C^5/J)$ (here \\otimesmin and \\otimesmax are the minimal and the maximal operator system tensor products, respectively, and $C^5/J$ is the operator system quotient of $C^5$ by $J$). We express the Kirchberg conjecture (KC) in terms of a four dimensional operator system problem. We prove that KC has an affirmative answer if and only if ...
Multifunctions of bounded variation
Vinter, R. B.
2016-02-01
Consider control systems described by a differential equation with a control term or, more generally, by a differential inclusion with velocity set F (t , x). Certain properties of state trajectories can be derived when it is assumed that F (t , x) is merely measurable w.r.t. the time variable t. But sometimes a refined analysis requires the imposition of stronger hypotheses regarding the time dependence. Stronger forms of necessary conditions for minimizing state trajectories can be derived, for example, when F (t , x) is Lipschitz continuous w.r.t. time. It has recently become apparent that significant addition properties of state trajectories can still be derived, when the Lipschitz continuity hypothesis is replaced by the weaker requirement that F (t , x) has bounded variation w.r.t. time. This paper introduces a new concept of multifunctions F (t , x) that have bounded variation w.r.t. time near a given state trajectory, of special relevance to control. We provide an application to sensitivity analysis.
Dosen, K
2010-01-01
An operad (this paper deals with non-symmetric operads) may be conceived as a partial algebra with a family of insertion operations, Gerstenhaber's circle-i products, which satisfy two kinds of associativity, one of them involving commutativity. A Cat-operad is an operad enriched over the category Cat of small categories, as a 2-category with small hom-categories is a category enriched over Cat. The notion of weak Cat-operad is to the notion of Cat-operad what the notion of bicategory is to the notion of 2-category. The equations of operads like associativity of insertions are replaced by isomorphisms in a category. The goal of this paper is to formulate conditions concerning these isomorphisms that ensure coherence, in the sense that all diagrams of canonical arrows commute. This is the sense in which the notions of monoidal category and bicategory are coherent. The coherence proof in the paper is much simplified by indexing the insertion operations in a context-independent way, and not in the usual manner. ...
DEFF Research Database (Denmark)
Andersen, Jonas; Heimdal, J.; Wallin Mahler Andersen, Denise
2014-01-01
Terahertz absorption spectra have been recorded for the weakly bound CO2–H2O complex embedded in cryogenic neon matrices at 2.8 K. The three high-frequency van der Waals vibrational transitions associated with out-of-plane wagging, in-plane rocking, and torsional motion of the isotopic H2O subunit...
Self-Consistent Dynamic Models of Steady Ionization Fronts I. Weak-D and Weak-R Fronts
Henney, W J; Williams, R J R; Ferland, G J; Henney, William J.; Williams, Robin J. R.; Ferland, Gary J.
2005-01-01
We present a method for including steady-state gas flows in the plasma physics code Cloudy, which was previously restricted to modeling static configurations. The numerical algorithms are described in detail, together with an example application to plane-parallel ionization-bounded HII regions. As well as providing the foundation for future applications to more complex flows, we find the following specific results regarding the effect of advection upon ionization fronts in HII regions: 1. Significant direct effects of advection on the global emission properties occur only when the ionization parameter is lower than is typical for HII regions. 2. The overheating of partially ionized gas in the front is not large, even for supersonic (R-type) fronts. 3. The most significant morphological signature of advective fronts is an electron density spike that occurs at the ionization front. Observational evidence for such a spike is found in images of the Orion bar. 4. Plane-parallel, weak-D fronts are found to show at ...
Weak Total Resolvability In Graphs
Directory of Open Access Journals (Sweden)
Casel Katrin
2016-02-01
Full Text Available A vertex v ∈ V (G is said to distinguish two vertices x, y ∈ V (G of a graph G if the distance from v to x is di erent from the distance from v to y. A set W ⊆ V (G is a total resolving set for a graph G if for every pair of vertices x, y ∈ V (G, there exists some vertex w ∈ W − {x, y} which distinguishes x and y, while W is a weak total resolving set if for every x ∈ V (G−W and y ∈ W, there exists some w ∈ W −{y} which distinguishes x and y. A weak total resolving set of minimum cardinality is called a weak total metric basis of G and its cardinality the weak total metric dimension of G. Our main contributions are the following ones: (a Graphs with small and large weak total metric bases are characterised. (b We explore the (tight relation to independent 2-domination. (c We introduce a new graph parameter, called weak total adjacency dimension and present results that are analogous to those presented for weak total dimension. (d For trees, we derive a characterisation of the weak total (adjacency metric dimension. Also, exact figures for our parameters are presented for (generalised fans and wheels. (e We show that for Cartesian product graphs, the weak total (adjacency metric dimension is usually pretty small. (f The weak total (adjacency dimension is studied for lexicographic products of graphs.
Nowak, K.; Kästner, M.; Miltner, A.
2009-04-01
During degradation of organic pollutants in soil, metabolites, microbial biomass, CO2and "bound" residues ("non-extractable" residues in soil organic matter) are formed. Enhanced transformation of these contaminants into "bound" residues has been proposed as an alternative remediation method for polluted soils. However, this kind of residues may pose a potential risk for the environment due to their chemical structure and possible remobilization under different conditions. Therefore particular attention is given actually to "bound" residues. Part of these non-extractable residues may be "biogenic," because microorganisms use the carbon from the pollutant to form their biomass components (fatty acids, amino acids, amino sugars), which subsequently may be incorporated into soil organic matter. Furthermore, the CO2 originating from mineralization of xenobiotics, can be re-assimilated by microorganisms and also incorporated into "biogenic residue". The hazard posed by "bound" residues may be overestimated because they are "biogenic" (contain microbial fatty acids and amino acids). The knowledge about the pathways of "biogenic residue" formation is necessary for a proper assessment of the fate of tested pollutants and their turnover in the soil environment. Moreover, these data are needed to establish the realistic degradation rates of the contaminants in soil. The main objectives of this study are: to quantify the extent of "biogenic residue" (fatty acids, amino acids, amino sugars) formation during the degradation of a model pollutant (2,4-dichlorophenoxyacetic acid = 2,4-D) and during CO2 assimilation by microorganisms and to evaluate which components are mainly incorporated into "bound" residues. To investigate the extent of "biogenic residue" formation in soil during the degradation of 2,4-D, experiments with either 14C-U-ring and 13C6-2,4-D or carboxyl-14C 2,4-D were performed. The incubation experiments were performed according to OECD test guideline 307, in the
DEFF Research Database (Denmark)
Rosendahl, Mads
1989-01-01
One way to analyse programs is to to derive expressions for their computational behaviour. A time bound function (or worst-case complexity) gives an upper bound for the computation time as a function of the size of input. We describe a system to derive such time bounds automatically using abstrac...
Measuring Workload Weak Resilience Signals at a Rail Control Post
Siegel, A.W.; Schraagen, J.M.C.
2014-01-01
OCCUPATIONAL APPLICATIONS This article describes an observational study at a rail control post to measure workload weak resilience signals. A weak resilience signal indicates a possible degradation of a system's resilience, which is defined as the ability of a complex socio-technical system to cope
Measuring Workload Weak Resilience Signals at a Rail Control Post
Siegel, A.W.; Schraagen, J.M.C.
2014-01-01
OCCUPATIONAL APPLICATIONS This article describes an observational study at a rail control post to measure workload weak resilience signals. A weak resilience signal indicates a possible degradation of a system's resilience, which is defined as the ability of a complex socio-technical system to cope
Existence of global weak solution for a reduced gravity two and a half layer model
Energy Technology Data Exchange (ETDEWEB)
Guo, Zhenhua, E-mail: zhenhua.guo.math@gmail.com; Li, Zilai, E-mail: lizilai0917@163.com; Yao, Lei, E-mail: yaolei1056@hotmail.com [Department of Mathematics and CNS, Northwest University, Xi' an 710127 (China)
2013-12-15
We investigate the existence of global weak solution to a reduced gravity two and a half layer model in one-dimensional bounded spatial domain or periodic domain. Also, we show that any possible vacuum state has to vanish within finite time, then the weak solution becomes a unique strong one.
Space group constraints on weak indices in topological insulators
Varjas, Dániel; de Juan, Fernando; Lu, Yuan-Ming
2017-07-01
Lattice translation symmetry gives rise to a large class of "weak" topological insulators (TIs), characterized by translation-protected gapless surface states and dislocation bound states. In this work we show that space group symmetries lead to constraints on the weak topological indices that define these phases. In particular, we show that screw rotation symmetry enforces the Hall conductivity in planes perpendicular to the screw axis to be quantized in multiples of the screw rank, which generally applies to interacting systems. We further show that certain 3D weak indices associated with quantum spin Hall effects (class AII) are forbidden by the Bravais lattice and by glide or even-fold screw symmetries. These results put strong constraints on weak TI candidates in the experimental and numerical search for topological materials, based on the crystal structure alone.
Elastic breakup cross sections of well-bound nucleons
Wimmer, K; Gade, A; Tostevin, J A; Baugher, T; Chajecki, Z; Coupland, D; Famiano, M A; Ghosh, T K; Howard, G F Grinyer M E; Kilburn, M; Lynch, W G; Manning, B; Meierbachtol, K; Quarterman, P; Ratkiewicz, A; Sanetullaev, A; Showalter, R H; Stroberg, S R; Tsang, M B; Weisshaar, D; Winkelbauer, J; Winkler, R; Youngs, M
2014-01-01
The 9Be(28Mg,27Na) one-proton removal reaction with a large proton separation energy of Sp(28Mg)=16.79 MeV is studied at intermediate beam energy. Coincidences of the bound 27Na residues with protons and other light charged particles are measured. These data are analyzed to determine the percentage contributions to the proton removal cross section from the elastic and inelastic nucleon removal mechanisms. These deduced contributions are compared with the eikonal reaction model predictions and with the previously measured data for reactions involving the re- moval of more weakly-bound protons from lighter nuclei. The role of transitions of the proton between different bound single-particle configurations upon the elastic breakup cross section is also quantified in this well-bound case. The measured and calculated elastic breakup fractions are found to be in good agreement.
Weak Interaction Neutron Production Rates in Fully Ionized Plasmas
Widom, A; Srivastava, Y N
2013-01-01
Employing the weak interaction reaction wherein a heavy electron is captured by a proton to produce a neutron and a neutrino, the neutron production rate for neutral hydrogen gases and for fully ionized plasmas is computed. Using the Coulomb atomic bound state wave functions of a neutral hydrogen gas, our production rate results are in agreement with recent estimates by Maiani {\\it et al}. Using Coulomb scattering state wave functions for the fully ionized plasma, we find a substantially enhanced neutron production rate. The scattering wave function should replace the bound state wave function for estimates of the enhanced neutron production rate on water plasma drenched cathodes of chemical cells.
Weak compactness of biharmonic maps
Directory of Open Access Journals (Sweden)
Shenzhou Zheng
2012-10-01
Full Text Available This article shows that if a sequence of weak solutions of a perturbed biharmonic map satisfies $Phi_ko 0$ in $(W^{2,2}^*$ and $u_kightharpoonup u$ weakly in $W^{2,2}$, then $u$ is a biharmonic map. In particular, we show that the space of biharmonic maps is sequentially compact under the weak-$W^{2,2}$ topology.
Nuclear three-body problem in the complex energy plane: Complex-Scaling-Slater method
Kruppa, A T; Nazarewicz, W; Michel, N
2013-01-01
The physics of open quantum systems is an interdisciplinary area of research. The nuclear "openness" manifests itself through the presence of the many-body continuum representing various decay, scattering, and reaction channels. As the radioactive nuclear beam experimentation extends the known nuclear landscape towards the particle drip lines, the coupling to the continuum space becomes exceedingly more important. Of particular interest are weakly bound and unbound nuclear states appearing around particle thresholds. Theories of such nuclei must take into account their open quantum nature. To describe open quantum systems, we introduce a Complex Scaling (CS) approach in the Slater basis. We benchmark it with the complex-energy Gamow Shell Model (GSM) by studying energies and wave functions of the bound and unbound states of the two-neutron halo nucleus 6He viewed as an $\\alpha$+ n + n cluster system. In the CS approach, we use the Slater basis, which exhibits the correct asymptotic behavior at large distances...
General gauge mediation at the weak scale
Knapen, Simon; Redigolo, Diego; Shih, David
2016-03-01
We completely characterize General Gauge Mediation (GGM) at the weak scale by solving all IR constraints over the full parameter space. This is made possible through a combination of numerical and analytical methods, based on a set of algebraic relations among the IR soft masses derived from the GGM boundary conditions in the UV. We show how tensions between just a few constraints determine the boundaries of the parameter space: electroweak symmetry breaking (EWSB), the Higgs mass, slepton tachyons, and left-handed stop/sbottom tachyons. While these constraints allow the left-handed squarks to be arbitrarily light, they place strong lower bounds on all of the right-handed squarks. Meanwhile, light EW superpartners are generic throughout much of the parameter space. This is especially the case at lower messenger scales, where a positive threshold correction to m h coming from light Higgsinos and winos is essential in order to satisfy the Higgs mass constraint.
General Gauge Mediation at the Weak Scale
Knapen, Simon; Shih, David
2015-01-01
We completely characterize General Gauge Mediation (GGM) at the weak scale by solving all IR constraints over the full parameter space. This is made possible through a combination of numerical and analytical methods, based on a set of algebraic relations among the IR soft masses derived from the GGM boundary conditions in the UV. We show how tensions between just a few constraints determine the boundaries of the parameter space: electroweak symmetry breaking (EWSB), the Higgs mass, slepton tachyons, and left-handed stop/sbottom tachyons. While these constraints allow the left-handed squarks to be arbitrarily light, they place strong lower bounds on all of the right-handed squarks. Meanwhile, light EW superpartners are generic throughout much of the parameter space. This is especially the case at lower messenger scales, where a positive threshold correction to $m_h$ coming from light Higgsinos and winos is essential in order to satisfy the Higgs mass constraint.
Completely Continuous and Weakly Completely Continuous Abstract Segal Algebras
Indian Academy of Sciences (India)
Fatemeh Abtahi
2013-11-01
Let $\\mathcal{A}$ be a Banach algebra. It is obtained a necessary and sufficient condition for the complete continuity and also weak complete continuity of symmetric abstract Segal algebras with respect to $\\mathcal{A}$, under the condition of the existence of an approximate identity for $\\mathcal{B}$, bounded in $\\mathcal{A}$. In addition, a necessary condition for the weak complete continuity of $\\mathcal{A}$ is given. Moreover, the applications of these results about some group algebras on locally compact groups are obtained.
A Weak Comparison Principle for Reaction-Diffusion Systems
Directory of Open Access Journals (Sweden)
José Valero
2012-01-01
Full Text Available We prove a weak comparison principle for a reaction-diffusion system without uniqueness of solutions. We apply the abstract results to the Lotka-Volterra system with diffusion, a generalized logistic equation, and to a model of fractional-order chemical autocatalysis with decay. Moreover, in the case of the Lotka-Volterra system a weak maximum principle is given, and a suitable estimate in the space of essentially bounded functions L∞ is proved for at least one solution of the problem.
A weak comparison principle for reaction-diffusion systems
Valero, José
2012-01-01
In this paper we prove a weak comparison principle for a reaction-diffusion system without uniqueness of solutions. We apply the abstract results to the Lotka-Volterra system with diffusion, a generalized logistic equation and to a model of fractional-order chemical autocatalysis with decay. Morever, in the case of the Lotka-Volterra system a weak maximum principle is given, and a suitable estimate in the space of essentially bounded functions $L^{\\infty}$ is proved for at least one solution of the problem.
Bounding approaches to system identification
Norton, John; Piet-Lahanier, Hélène; Walter, Éric
1996-01-01
In response to the growing interest in bounding error approaches, the editors of this volume offer the first collection of papers to describe advances in techniques and applications of bounding of the parameters, or state variables, of uncertain dynamical systems. Contributors explore the application of the bounding approach as an alternative to the probabilistic analysis of such systems, relating its importance to robust control-system design.
Bukh, Boris
2011-01-01
In 2008, Bukh, Matousek, and Nivasch conjectured that for every n-point set S in R^d and every k, 0 <= k <= d-1, there exists a k-flat f in R^d (a "centerflat") that lies at "depth" (k+1) n / (k+d+1) - O(1) in S, in the sense that every halfspace that contains f contains at least that many points of S. This claim is true and tight for k=0 (this is Rado's centerpoint theorem), as well as for k = d-1 (trivial). Bukh et al. showed the existence of a (d-2)-flat at depth (d-1) n / (2d-1) - O(1) (the case k = d-2). In this paper we concentrate on the case k=1 (the case of "centerlines"), in which the conjectured value for the leading constant is 2/(d+2). We prove that 2/(d+2) is an *upper bound* for the leading constant. Specifically, we show that for every fixed d and every n there exists an n-point set in R^d for which no line in R^d lies at depth larger than 2n/(d+2) + o(n). This point set is the "stretched grid"---a set which has been previously used by Bukh et al. for other related purposes.
[Systemic lupus erythematosus and weakness].
Vinagre, Filipe; Santos, Maria José; da Silva, José Canas
2006-01-01
We report a case of a 13-year old young girl, with Juvenile Systemic Lupus Erythematosus and recent onset of muscle weakness. Investigations lead to the diagnosis of Myasthenia Gravis. The most important causes of muscle weakness in lupus patients are discussed.
Existence of Weak Solutions for the Incompressible Euler Equations
Wiedemann, Emil
2011-01-01
Using a recent result of C. De Lellis and L. Sz\\'{e}kelyhidi Jr. we show that, in the case of periodic boundary conditions and for dimension greater or equal 2, there exist infinitely many global weak solutions to the incompressible Euler equations with initial data $v_0$, where $v_0$ may be any solenoidal $L^2$-vectorfield. In addition, the energy of these solutions is bounded in time.
Weak Interaction Neutron Production Rates in Fully Ionized Plasmas
Widom, A.; Swain, J.; Srivastava, Y. N.
2013-01-01
Employing the weak interaction reaction wherein a heavy electron is captured by a proton to produce a neutron and a neutrino, the neutron production rate for neutral hydrogen gases and for fully ionized plasmas is computed. Using the Coulomb atomic bound state wave functions of a neutral hydrogen gas, our production rate results are in agreement with recent estimates by Maiani {\\it et al}. Using Coulomb scattering state wave functions for the fully ionized plasma, we find a substantially enha...
Variational Study of Weakly Coupled Triply Heavy Baryons
Jia, Y
2006-01-01
Baryons made of three heavy quarks become weakly coupled, when all the quarks are sufficiently heavy such that the typical momentum transfer is much larger than Lambda_QCD. We use variational method to estimate masses of the lowest-lying bcc, ccc, bbb and bbc states by assuming they are Coulomb bound states. Our predictions for these states are systematically lower than those made long ago by Bjorken.
Eternal Chaotic Inflation is Prohibited by Weak Gravity Conjecture
Huang, Qing-Guo; Wang, Yi
2007-01-01
We investigate whether the eternal chaotic inflation can be achieved when the weak gravity conjecture is taken into account. We show that even the assisted chaotic inflation with potential $\\lambda\\phi^4$ or $m^2\\phi^2$ can not be eternal. The effective field theory description for the inflaton field breaks down before inflation reaches the eternal regime. We also find that the total number of e-folds is still bounded by the inflationary entropy for the assisted inflation.
Quantum trajectories based on the weak value
Mori, Takuya; Tsutsui, Izumi
2015-04-01
The notion of the trajectory of an individual particle is strictly inhibited in quantum mechanics because of the uncertainty principle. Nonetheless, the weak value, which has been proposed as a novel and measurable quantity definable to any quantum observable, can offer a possible description of trajectory on account of its statistical nature. In this paper, we explore the physical significance provided by this "weak trajectory" by considering various situations where interference takes place simultaneously with the observation of particles, that is, in prototypical quantum situations for which no classical treatment is available. These include the double slit experiment and Lloyd's mirror, where in the former case it is argued that the real part of the weak trajectory describes an average over the possible classical trajectories involved in the process, and that the imaginary part is related to the variation of interference. It is shown that this average interpretation of the weak trajectory holds universally under the complex probability defined from the given transition process. These features remain essentially unaltered in the case of Lloyd's mirror where interference occurs with a single slit.
Institute of Scientific and Technical Information of China (English)
LIU Li-Guo; TIAN Cheng-Lin; CHEN Ping-Xing; YUAN Nai-Chang
2009-01-01
We derive an analytical lower bound on the concurrence for bipartite quantum systems with an improved computable cross norm or realignment criterion and an improved positive partial transpose criterion respectively.Furthermore we demonstrate that our bound is better than that obtained from the local uncertainty relations criterion with optimal local orthogonal observables which is known as one of the best estimations of concurrence.
Bounds for Asian basket options
Deelstra, Griselda; Diallo, Ibrahima; Vanmaele, Michèle
2008-09-01
In this paper we propose pricing bounds for European-style discrete arithmetic Asian basket options in a Black and Scholes framework. We start from methods used for basket options and Asian options. First, we use the general approach for deriving upper and lower bounds for stop-loss premia of sums of non-independent random variables as in Kaas et al. [Upper and lower bounds for sums of random variables, Insurance Math. Econom. 27 (2000) 151-168] or Dhaene et al. [The concept of comonotonicity in actuarial science and finance: theory, Insurance Math. Econom. 31(1) (2002) 3-33]. We generalize the methods in Deelstra et al. [Pricing of arithmetic basket options by conditioning, Insurance Math. Econom. 34 (2004) 55-57] and Vanmaele et al. [Bounds for the price of discrete sampled arithmetic Asian options, J. Comput. Appl. Math. 185(1) (2006) 51-90]. Afterwards we show how to derive an analytical closed-form expression for a lower bound in the non-comonotonic case. Finally, we derive upper bounds for Asian basket options by applying techniques as in Thompson [Fast narrow bounds on the value of Asian options, Working Paper, University of Cambridge, 1999] and Lord [Partially exact and bounded approximations for arithmetic Asian options, J. Comput. Finance 10 (2) (2006) 1-52]. Numerical results are included and on the basis of our numerical tests, we explain which method we recommend depending on moneyness and time-to-maturity.
Anaphoric Pronouns and Bound Variables
Wasow, Thomas
1975-01-01
Deals with certain problems inherent in deriving anaphoric pronouns from bound variables. Syntactic rules applied to determine anaphora relations cannot be applied if anaphoric pronouns and their antecedents have identical underlying forms. An approach to anaphora which preserves some advantages of the bound-variable theory without the problems is…
Andrade, Daniel
2012-01-01
We present a new method to propagate lower bounds on conditional probability distributions in conventional Bayesian networks. Our method guarantees to provide outer approximations of the exact lower bounds. A key advantage is that we can use any available algorithms and tools for Bayesian networks in order to represent and infer lower bounds. This new method yields results that are provable exact for trees with binary variables, and results which are competitive to existing approximations in credal networks for all other network structures. Our method is not limited to a specific kind of network structure. Basically, it is also not restricted to a specific kind of inference, but we restrict our analysis to prognostic inference in this article. The computational complexity is superior to that of other existing approaches.
Market Access through Bound Tariffs
DEFF Research Database (Denmark)
Sala, Davide; Schröder, Philipp J.H.; Yalcin, Erdal
on the risk that exporters face in destination markets. The present paper formalizes the underlying interaction of risk, fixed export costs and firms' market entry decisions based on techniques known from the real options literature; doing so we highlight the important role of bound tariffs at the extensive......WTO negotiations deal predominantly with bound - besides applied - tariff rates. But, how can reductions in tariffs ceilings, i.e. tariff rates that no exporter may ever actually be confronted with, generate market access? The answer to this question relates to the effects of tariff bindings...... margin of trade. We find that bound tariffs are more effective with higher risk destination markets, that a large binding overhang may still command substantial market access, and that reductions in bound tariffs generate effective market access even when bound rates are above current and long...
Market access through bound tariffs
DEFF Research Database (Denmark)
Sala, Davide; Schröder, Philipp J.H.; Yalcin, Erdal
2010-01-01
on the risk that exporters face in destination markets. The present paper formalizes the underlying interaction of risk, fixed export costs and firms' market entry decisions based on techniques known from the real options literature; doing so we highlight the important role of bound tariffs at the extensive......WTO negotiations deal predominantly with bound - besides applied - tariff rates. But, how can reductions in tariffs ceilings, i.e. tariff rates that no exporter may ever actually be confronted with, generate market access? The answer to this question relates to the effects of tariff bindings...... margin of trade. We find that bound tariffs are more effective with higher risk destination markets, that a large binding overhang may still command substantial market access, and that reductions in bound tariffs generate effective market access even when bound rates are above current and longterm...
A Complexity Analysis of Functional Interpretations
DEFF Research Database (Denmark)
Hernest, Mircea-Dan; Kohlenbach, Ulrich
2003-01-01
We give a quantitative analysis of G ̈odel’s functional interpretation and its monotone variant. The two have been used for the extraction of programs and numerical bounds as well as for conservation results. They apply both to (semi-)intuitionistic as well as (combined with negative translation......) classical proofs. The proofs may be formalized in systems ranging from weak base systems to arithmetic and analysis (and numerous fragments of these). We give upper bounds in basic proof data on the depth, size, maximal type degree and maximal type arity of the extracted terms as well as on the depth...... of the verifying proof. In all cases terms of size linear in the size of the proof at input can be extracted and the corresponding extraction algorithms have cubic worst-time complexity. The verifying proofs have depth linear in the depth of the proof at input and the maximal size of a formula of this proof....
Bounds of memory strength for power-law series
Guo, Fangjian; Yang, Dan; Yang, Zimo; Zhao, Zhi-Dan; Zhou, Tao
2017-05-01
Many time series produced by complex systems are empirically found to follow power-law distributions with different exponents α . By permuting the independently drawn samples from a power-law distribution, we present nontrivial bounds on the memory strength (first-order autocorrelation) as a function of α , which are markedly different from the ordinary ±1 bounds for Gaussian or uniform distributions. When 1 remains 0; when α >3 , the upper bound remains +1 while the lower bound descends below 0. Theoretical bounds agree well with numerical simulations. Based on the posts on Twitter, ratings of MovieLens, calling records of the mobile operator Orange, and the browsing behavior of Taobao, we find that empirical power-law-distributed data produced by human activities obey such constraints. The present findings explain some observed constraints in bursty time series and scale-free networks and challenge the validity of measures such as autocorrelation and assortativity coefficient in heterogeneous systems.
Analysis of Price Stackelberg Duopoly Game with Bounded Rationality
Directory of Open Access Journals (Sweden)
Lian Shi
2014-01-01
Full Text Available The classical Stackelberg game is extended to boundedly rational price Stackelberg game, and the dynamic duopoly game model is described in detail. By using the theory of bifurcation of dynamical systems, the existence and stability of the equilibrium points of this model are studied. And some comparisons with Bertrand game with bounded rationality are also performed. Stable region, bifurcation diagram, The Largest Lyapunov exponent, strange attractor, and sensitive dependence on initial conditions are used to show complex dynamic behavior. The results of theoretical and numerical analysis show that the stability of the price Stackelberg duopoly game with boundedly rational players is only relevant to the speed of price adjustment of the leader and not relevant to the follower’s. This is different from the classical Cournot and Bertrand duopoly game with bounded rationality. And the speed of price adjustment of the boundedly rational leader has a destabilizing effect on this model.
Classical and quantum partition bound and detector inefficiency
Laplante, S; Roland, J
2012-01-01
In communication complexity, two players each have an input and they wish to compute some function of the joint inputs. This has been the object of much study and a wide variety of lower bound methods have been introduced to address the problem of showing lower bounds on communication. Recently, Jain and Klauck introduced the partition bound, which subsumes many of the known methods, in particular factorization norm, discrepancy, and the rectangle (corruption) bound. Physicists have considered a closely related scenario where two players share a predefined entangled state. Each is given a measurement as input, which they perform on their share of the system. The outcomes of the measurements follow a distribution which is predicted by quantum mechanics. In an experimental setting, Bell inequalities are used to distinguish truly quantum from classical behavior. We present a new lower bound technique based on the notion of detector inefficiency (where some runs are discarded by either of the players) for the ext...
Empirical processes with bounded \\psi_1 diameter
Mendelson, Shahar
2010-01-01
We study the empirical process indexed by F^2=\\{f^2 : f \\in F\\}, where F is a class of mean-zero functions on a probability space. We present a sharp bound on the supremum of that process which depends on the \\psi_1 diameter of the class F (rather than on the \\psi_2 one) and on the complexity parameter \\gamma_2(F,\\psi_2). In addition, we present optimal bounds on the random diameters \\sup_{f \\in F} \\max_{|I|=m} (\\sum_{i \\in I} f^2(X_i))^{1/2} using the same parameters. As applications, we extend several well known results in Asymptotic Geometric Analysis to any isotropic, log-concave ensemble on R^n.
Mutual Information Rate and Bounds for It
Baptista, Murilo S.; Rubinger, Rero M.; Viana, Emilson R.; Sartorelli, José C.; Parlitz, Ulrich; Grebogi, Celso
2012-01-01
The amount of information exchanged per unit of time between two nodes in a dynamical network or between two data sets is a powerful concept for analysing complex systems. This quantity, known as the mutual information rate (MIR), is calculated from the mutual information, which is rigorously defined only for random systems. Moreover, the definition of mutual information is based on probabilities of significant events. This work offers a simple alternative way to calculate the MIR in dynamical (deterministic) networks or between two time series (not fully deterministic), and to calculate its upper and lower bounds without having to calculate probabilities, but rather in terms of well known and well defined quantities in dynamical systems. As possible applications of our bounds, we study the relationship between synchronisation and the exchange of information in a system of two coupled maps and in experimental networks of coupled oscillators. PMID:23112809
Mutual information rate and bounds for it.
Directory of Open Access Journals (Sweden)
Murilo S Baptista
Full Text Available The amount of information exchanged per unit of time between two nodes in a dynamical network or between two data sets is a powerful concept for analysing complex systems. This quantity, known as the mutual information rate (MIR, is calculated from the mutual information, which is rigorously defined only for random systems. Moreover, the definition of mutual information is based on probabilities of significant events. This work offers a simple alternative way to calculate the MIR in dynamical (deterministic networks or between two time series (not fully deterministic, and to calculate its upper and lower bounds without having to calculate probabilities, but rather in terms of well known and well defined quantities in dynamical systems. As possible applications of our bounds, we study the relationship between synchronisation and the exchange of information in a system of two coupled maps and in experimental networks of coupled oscillators.
Mutual information rate and bounds for it.
Baptista, Murilo S; Rubinger, Rero M; Viana, Emilson R; Sartorelli, José C; Parlitz, Ulrich; Grebogi, Celso
2012-01-01
The amount of information exchanged per unit of time between two nodes in a dynamical network or between two data sets is a powerful concept for analysing complex systems. This quantity, known as the mutual information rate (MIR), is calculated from the mutual information, which is rigorously defined only for random systems. Moreover, the definition of mutual information is based on probabilities of significant events. This work offers a simple alternative way to calculate the MIR in dynamical (deterministic) networks or between two time series (not fully deterministic), and to calculate its upper and lower bounds without having to calculate probabilities, but rather in terms of well known and well defined quantities in dynamical systems. As possible applications of our bounds, we study the relationship between synchronisation and the exchange of information in a system of two coupled maps and in experimental networks of coupled oscillators.
A class of singular integrals on the n -complex unit sphere
Institute of Scientific and Technical Information of China (English)
Michael; Cowling; 钱涛
1999-01-01
The operators on the n-complex unit sphere under study have three forms: the singular integrals with holomorphic kernels, the bounded and holomorphic Fourier multipliers, and the Cauchy-Dunford bounded and holomorphic functional calculus of the radial Dirac operator. The equivalence between the three forms and the strong-type (p, p), 1
weak-type (1,1)-boundedness of the operators is proved. The results generalise the work of L. K. Hua, A. Korányli and S. Vagi, W. Rudin and S. Gong on the Cauchy-Szeg(?) kernel and the Cauchy singular integral operator.
Liouville and Calabi-Yau type theorems for complex Hessian equations
Dinew, Slawomir
2012-01-01
We prove a Liouville type theorem for entire maximal $m$-subharmonic functions in $\\mathbb C^n$ with bounded gradient. This result, coupled with a standard blow-up argument, yields a (non-explicit) a priori gradient estimate for the complex Hessian equation on a compact K\\"ahler manifold. This terminates the program, initiated by Hou, Ma and Wu, of solving the non-degenerate Hessian equation on such manifolds in full generality. We also obtain, using our previous work, continuous weak solutions in the degenerate case for the right hand side in some $L^p, $ with sharp bound on $p$.
Probing Andreev bound states in one-atom superconducting contacts
Energy Technology Data Exchange (ETDEWEB)
Pothier, Hugues; Janvier, Camille; Tosi, Leandro; Girit, Caglar; Goffman, Marcelo; Esteve, Daniel; Urbina, Cristian [Quantronics Group, SPEC, CEA-Saclay (France)
2015-07-01
Superconductors are characterized by a dissipationless current. Since the work of Josephson 50 years ago, it is known that a supercurrent can even flow through tunnel junctions between superconductors. This Josephson effect also occurs through any type of ''weak links'' between superconductors: non-superconducting materials, constrictions,.. A unified understanding of the Josephson effect has emerged from a mesoscopic description of weak links. It relies on the existence of doublets of localized states that have energies below the superconducting gap: the Andreev bound states. I will present experiments performed on the simplest conductor possible, a single-atom contact between superconductors, that illustrate these concepts. The most recent work demonstrates time-domain manipulation of quantum superpositions of Andreev bound states.
Some upper and lower bounds on PSD-rank
Lee, T.; Wei, Z.; de Wolf, R.
Positive semidefinite rank (PSD-rank) is a relatively new complexity measure on matrices, with applications to combinatorial optimization and communication complexity. We first study several basic properties of PSD-rank, and then develop new techniques for showing lower bounds on the PSD-rank. All
Effects of QCD bound states on dark matter relic abundance
Liew, Seng Pei; Luo, Feng
2017-02-01
We study scenarios where there exists an exotic massive particle charged under QCD in the early Universe. We calculate the formation and dissociation rates of bound states formed by pairs of these particles, and apply the results in dark matter (DM) coannihilation scenarios, including also the Sommerfeld effect. We find that on top of the Sommerfeld enhancement, bound-state effects can further significantly increase the largest possible DM masses which can give the observed DM relic abundance, by ˜ 30-100% with respect to values obtained by considering the Sommerfeld effect only, for the color triplet or octet exotic particles we consider. In particular, it indicates that the Bino DM mass in the right-handed stop-Bino coannihilation scenario in the Minimal Supersymmetric extension of the Standard Model (MSSM) can reach ˜ 2.5 TeV, even though the potential between the stop and antistop prior to forming a bound state is repulsive. We also apply the bound-state effects in the calculations of relic abundance of long-lived or metastable massive colored particles, and discuss the implications on the BBN constraints and the abundance of a super-weakly interacting DM. The corrections for the bound-state effect when the exotic massive colored particles also carry electric charges, and the collider bounds are also discussed.
Gravitational Interaction of Higgs Boson and Weak Boson Scattering
Xianyu, Zhong-Zhi; He, Hong-Jian
2013-01-01
With the LHC discovery of a 125GeV Higgs-like particle, we study gravitational interaction of Higgs boson via the unique dimension-4 operator involving Higgs doublet and scalar curvature, \\xi H^\\dag H R, with nonminimal coupling \\xi. This Higgs portal term can be transformed away in Einstein frame and induces gauge-invariant effective interactions in the Higgs sector. We study the weak boson scattering in Einstein frame, and explicitly demonstrate the longitudinal-Goldstone boson equivalence theorem in the presence of \\xi coupling. With these, we derive unitarity bound on the Higgs gravitational coupling \\xi in Einstein frame, which is stronger than that inferred from the LHC Higgs measurements. We further analyze \\xi-dependent weak boson scattering cross sections at TeV scale, and study the LHC probe of \\xi coupling via weak boson scattering experiments.
The Out-bound and In-bound Travelling Market
Institute of Scientific and Technical Information of China (English)
Emily Yu
2009-01-01
@@ As the Spring Festival of China with a long vocation of seven days nationally is approaching,more and more attention is paid to the out-bound and inn-bound trayeling market.Will people hold their pockets firmly in the"cold winter"of world-wide financial crisis,or will they grab the great discount of traveling and take a good relax?
Precision Metrology Using Weak Measurements
Zhang, Lijian; Datta, Animesh; Walmsley, Ian A.
2015-05-01
Weak values and measurements have been proposed as a means to achieve dramatic enhancements in metrology based on the greatly increased range of possible measurement outcomes. Unfortunately, the very large values of measurement outcomes occur with highly suppressed probabilities. This raises three vital questions in weak-measurement-based metrology. Namely, (Q1) Does postselection enhance the measurement precision? (Q2) Does weak measurement offer better precision than strong measurement? (Q3) Is it possible to beat the standard quantum limit or to achieve the Heisenberg limit with weak measurement using only classical resources? We analyze these questions for two prototypical, and generic, measurement protocols and show that while the answers to the first two questions are negative for both protocols, the answer to the last is affirmative for measurements with phase-space interactions, and negative for configuration space interactions. Our results, particularly the ability of weak measurements to perform at par with strong measurements in some cases, are instructive for the design of weak-measurement-based protocols for quantum metrology.
Precision metrology using weak measurements.
Zhang, Lijian; Datta, Animesh; Walmsley, Ian A
2015-05-29
Weak values and measurements have been proposed as a means to achieve dramatic enhancements in metrology based on the greatly increased range of possible measurement outcomes. Unfortunately, the very large values of measurement outcomes occur with highly suppressed probabilities. This raises three vital questions in weak-measurement-based metrology. Namely, (Q1) Does postselection enhance the measurement precision? (Q2) Does weak measurement offer better precision than strong measurement? (Q3) Is it possible to beat the standard quantum limit or to achieve the Heisenberg limit with weak measurement using only classical resources? We analyze these questions for two prototypical, and generic, measurement protocols and show that while the answers to the first two questions are negative for both protocols, the answer to the last is affirmative for measurements with phase-space interactions, and negative for configuration space interactions. Our results, particularly the ability of weak measurements to perform at par with strong measurements in some cases, are instructive for the design of weak-measurement-based protocols for quantum metrology.
Acute muscular weakness in children
Directory of Open Access Journals (Sweden)
Ricardo Pablo Javier Erazo Torricelli
Full Text Available ABSTRACT Acute muscle weakness in children is a pediatric emergency. During the diagnostic approach, it is crucial to obtain a detailed case history, including: onset of weakness, history of associated febrile states, ingestion of toxic substances/toxins, immunizations, and family history. Neurological examination must be meticulous as well. In this review, we describe the most common diseases related to acute muscle weakness, grouped into the site of origin (from the upper motor neuron to the motor unit. Early detection of hyperCKemia may lead to a myositis diagnosis, and hypokalemia points to the diagnosis of periodic paralysis. Ophthalmoparesis, ptosis and bulbar signs are suggestive of myasthenia gravis or botulism. Distal weakness and hyporeflexia are clinical features of Guillain-Barré syndrome, the most frequent cause of acute muscle weakness. If all studies are normal, a psychogenic cause should be considered. Finding the etiology of acute muscle weakness is essential to execute treatment in a timely manner, improving the prognosis of affected children.
Functions of Bounded κφ-Variation in the Sense of Riesz-Korenblum
Mariela Castillo; Sergio Rivas; María Sanoja; Iván Zea
2013-01-01
We present the space of functions of bounded κφ-variation in the sense of Riesz-Korenblum, denoted by κBVφ[a,b], which is a combination of the notions of bounded φ-variation in the sense of Riesz and bounded κ-variation in the sense of Korenblum. Moreover, we prove that the space generated by this class of functions is a Banach space with a given norm and we prove that the uniformly bounded composition operator satisfies Matkowski's weak condition.
Combining Alphas via Bounded Regression
Directory of Open Access Journals (Sweden)
Zura Kakushadze
2015-11-01
Full Text Available We give an explicit algorithm and source code for combining alpha streams via bounded regression. In practical applications, typically, there is insufficient history to compute a sample covariance matrix (SCM for a large number of alphas. To compute alpha allocation weights, one then resorts to (weighted regression over SCM principal components. Regression often produces alpha weights with insufficient diversification and/or skewed distribution against, e.g., turnover. This can be rectified by imposing bounds on alpha weights within the regression procedure. Bounded regression can also be applied to stock and other asset portfolio construction. We discuss illustrative examples.
Bounds for Certain Character Sums
Institute of Scientific and Technical Information of China (English)
杨锦; 郑志勇
2003-01-01
This paper shows a connection between exponential sums and character sums. In particular, we introduce a character sum that is an analog of the classical Kloosterman sums and establish the analogous Weil-Estermann's upper bound for it. The paper also analyzes a generalized Hardy-Littlewood example for character sums, which shows that the upper bounds given here are the best possible. The analysis makes use of local bounds for the exponential sums and character sums. The basic theorems have been previously established.
Institute of Scientific and Technical Information of China (English)
Zhi-Hong Tao; Cong-Hua Zhou; Zhong Chen; Li-Fu Wang
2007-01-01
Bounded Model Checking has been recently introduced as an efficient verification method for reactive systems.This technique reduces model checking of linear temporal logic to propositional satisfiability.In this paper we first present how quantified Boolean decision procedures can replace BDDs.We introduce a bounded model checking procedure for temporal logic CTL* which reduces model checking to the satisfiability of quantified Boolean formulas.Our new technique avoids the space blow up of BDDs, and extends the concept of bounded model checking.
Limits on the electromagnetic and weak dipole moments of the tau-lepton in a 331 model
Energy Technology Data Exchange (ETDEWEB)
Gutiérrez-Rodríguez, A. [Facultad de Física, Universidad Autónoma de Zacatecas Apartado, Postal C-580, 98060 Zacatecas, México (Mexico); Hernández-Ruíz, M.A. [Facultad de Ciencias Químicas, Universidad Autónoma de Zacatecas Apartado, Postal 585, 98060 Zacatecas, México (Mexico); Castañeda-Almanza, C.P.; Espinoza-Garrido, A.; Chubykalo, A. [Facultad de Física, Universidad Autónoma de Zacatecas Apartado, Postal C-580, 98060 Zacatecas, México (Mexico)
2014-08-15
Using as an input the data obtained by the L3 and OPAL Collaborations for the reaction e{sup +}e{sup −}→τ{sup +}τ{sup −}γ at the Z{sub 1}-pole, we obtained bounds on the electromagnetic and weak dipole moments of the tau-lepton in the context of a 331 model. Our bounds on the electromagnetic moments are consistent with the bounds obtained by the L3 and OPAL Collaborations for the reaction e{sup +}e{sup −}→τ{sup +}τ{sup −}γ. We also obtained bounds on the tau weak dipole moments which are consistent with the bounds obtained recently by the DELPHI, ALEPH and BELLE Collaborations from the reaction e{sup +}e{sup −}→τ{sup +}τ{sup −}. Our work complements other studies on the electromagnetic and weak dipole moments of the tau-lepton.
Gilmore-Lawler bound of quadratic assignment problem
Institute of Scientific and Technical Information of China (English)
Yong XIA
2008-01-01
The Gilmore-Lawler bound (GLB) is one of the well-known lower bound of quadratic assignment problem (QAP). Checking whether GLB is tight is an NP-complete problem. In this article, based on Xia and Yuan linearization technique, we provide an upper bound of the complexity of this problem, which makes it pseudo-polynomial solvable. We also pseudo-polynomially solve a class of QAP whose GLB is equal to the optimal objec-tive function value, which was shown to remain NP-hard.
New lower bounds for the border rank of matrix multiplication
Landsberg, J. M.; Ottaviani, Giorgio
2011-01-01
The border rank of the matrix multiplication operator for n by n matrices is a standard measure of its complexity. Using techniques from algebraic geometry and representation theory, we show the border rank is at least 2n^2-n. Our bounds are better than the previous lower bound (due to Lickteig in 1985) of 3/2 n^2+ n/2 -1 for all n>2. The bounds are obtained by finding new equations that bilinear maps of small border rank must satisfy, i.e., new equations for secant varieties of triple Segre ...
Bounds on the overall properties of composites with ellipsoidal inclusions
Institute of Scientific and Technical Information of China (English)
Lin-Zhi Wu; Shi-Dong Pan
2012-01-01
A new model is put forward to bound the effective elastic moduli of composites with ellipsoidal inclusions.In the present paper,transition layer for each eilipsoidal inclusion is introduced to make the trial displacement field for the upper bound and the trial stress field for the lower bound satisfy the continuous interface conditions which are absolutely necessary for the application of variational principles.According to the principles of minimum potential energy and minimum complementary energy,the upper and lower bounds on the effective elastic moduli of composites with ellipsoidal inclusions are rigorously derived.The effects of the distribution and geometric parameters of ellipsoidal inclusions on the bounds of the effective elastic moduli are analyzed in details.The present upper and lower bounds are still finite when the bulk and shear moduli of ellipsoidal inclusions tend to infinity and zero,respectively.It should be mentioned that the present method is simple and needs not calculate the complex integrals of multi-point correlation functions.Meanwhile,the present paper provides an entirely different way to bound the effective elastic moduli of composites with ellipsoidal inclusions,which can be developed to obtain a series of bounds by taking different trial displacement and stress fields.
Bounds on dark matter interactions with electroweak gauge bosons
Energy Technology Data Exchange (ETDEWEB)
Cotta, R. C.; Hewett, J. L.; Le, M. -P.; Rizzo, T. G.
2013-12-01
We investigate scenarios in which dark matter interacts with the Standard Model primarily through electroweak gauge bosons. We employ an effective field theory framework wherein the Standard Model and the dark matter particle are the only light states in order to derive model-independent bounds. Bounds on such interactions are derived from dark matter production by weak boson fusion at the LHC, indirect detection searches for the products of dark matter annihilation and from the measured invisible width of the Z^{ 0} . We find that limits on the UV scale, Λ , reach weak scale values for most operators and values of the dark matter mass, thus probing the most natural scenarios in the weakly interacting massive particle dark matter paradigm. Our bounds suggest that light dark matter ( m_{ χ} ≲ m_{ Z} / 2 or m _{χ} ≲ 100 – 200 GeV , depending on the operator) cannot interact only with the electroweak gauge bosons of the Standard Model, but rather requires additional operator contributions or dark sector structure to avoid overclosing the Universe.
Tree Resolution Proofs of the Weak Pigeon-Hole Principle
DEFF Research Database (Denmark)
Dantchev, Stefan Stajanov; Riis, Søren
2001-01-01
We prove that any optimal tree resolution proof of PHPn m is of size 2&thetas;(n log n), independently from m, even if it is infinity. So far, only a 2Ω(n) lower bound has been known in the general case. We also show that any, not necessarily optimal, regular tree resolution proof PHPn m is bounded...... by 2O(n log m). To the best of our knowledge, this is the first time the worst case proof complexity has been considered. Finally, we discuss possible connections of our result to Riis' (1999) complexity gap theorem for tree resolution...
Computing Constrained Cramer Rao Bounds
Tune, Paul
2012-01-01
We revisit the problem of computing submatrices of the Cram\\'er-Rao bound (CRB), which lower bounds the variance of any unbiased estimator of a vector parameter $\\vth$. We explore iterative methods that avoid direct inversion of the Fisher information matrix, which can be computationally expensive when the dimension of $\\vth$ is large. The computation of the bound is related to the quadratic matrix program, where there are highly efficient methods for solving it. We present several methods, and show that algorithms in prior work are special instances of existing optimization algorithms. Some of these methods converge to the bound monotonically, but in particular, algorithms converging non-monotonically are much faster. We then extend the work to encompass the computation of the CRB when the Fisher information matrix is singular and when the parameter $\\vth$ is subject to constraints. As an application, we consider the design of a data streaming algorithm for network measurement.
An Inequality for Bounded Functions
Kouba, Omran
2012-01-01
In this note we prove optimal inequalities for bounded functions in terms of their deviation from their mean. These results extend and generalize some known inequalities due to Thong (2011) and Perfetti (2011)
Schulz, Marc Daniel; Dusuel, Sébastien; Vidal, Julien
2016-11-01
We discuss the emergence of bound states in the low-energy spectrum of the string-net Hamiltonian in the presence of a string tension. In the ladder geometry, we show that a single bound state arises either for a finite tension or in the zero-tension limit depending on the theory considered. In the latter case, we perturbatively compute the binding energy as a function of the total quantum dimension. We also address this issue in the honeycomb lattice where the number of bound states in the topological phase depends on the total quantum dimension. Finally, the internal structure of these bound states is analyzed in the zero-tension limit.
Schulz, M D; Vidal, J
2016-01-01
We discuss the emergence of bound states in the low-energy spectrum of the string-net Hamiltonian in the presence of a string tension. In the ladder geometry, we show that a single bound state arises either for a finite tension or in the zero-tension limit depending on the theory considered. In the latter case, we perturbatively compute the binding energy as a function of the total quantum dimension. We also address this issue in the honeycomb lattice where the number of bound states in the topological phase depends on the total quantum dimension. Finally, the internal structure of these bound states is analyzed in the zero-tension limit.
Some bounds for quantum copying
Rastegin, A E
2001-01-01
We derive lower bounds on the absolute error and the relative error of an abstract copying of two-state set. We do not specify a copying transformation and a dimension of state space. Only the unitarity of quantum mechanical transformations is used. Our approach is based on the notion of angle between two states. We first prove several useful statements, simply expressed in terms of angles. We then examine a lower bound on the absolute error, that was first considered by Hillery and Buzek. Our reasonings supplement and reinforce the results, obtained by them. So, we derive more strong bounds on the absolute error, and we also consider a tradeoff between size of error and corresponding probability distributions. After that we examine a lower bound on the relative error.
... stroke After injury to a nerve During a flare-up of multiple sclerosis (MS) You may feel ... Duchenne) Myotonic dystrophy POISONING Botulism Poisoning ( insecticides , nerve gas) Shellfish poisoning OTHER Not enough healthy red blood ...
Shape and color conjunction stimuli are represented as bound objects in visual working memory.
Luria, Roy; Vogel, Edward K
2011-05-01
The integrated object view of visual working memory (WM) argues that objects (rather than features) are the building block of visual WM, so that adding an extra feature to an object does not result in any extra cost to WM capacity. Alternative views have shown that complex objects consume additional WM storage capacity so that it may not be represented as bound objects. Additionally, it was argued that two features from the same dimension (i.e., color-color) do not form an integrated object in visual WM. This led some to argue for a "weak" object view of visual WM. We used the contralateral delay activity (the CDA) as an electrophysiological marker of WM capacity, to test those alternative hypotheses to the integrated object account. In two experiments we presented complex stimuli and color-color conjunction stimuli, and compared performance in displays that had one object but varying degrees of feature complexity. The results supported the integrated object account by showing that the CDA amplitude corresponded to the number of objects regardless of the number of features within each object, even for complex objects or color-color conjunction stimuli. Copyright © 2010 Elsevier Ltd. All rights reserved.
Weakly disordered two-dimensional Frenkel excitons
Boukahil, A.; Zettili, Nouredine
2004-03-01
We report the results of studies of the optical properties of weakly disordered two- dimensional Frenkel excitons in the Coherent Potential Approximation (CPA). An approximate complex Green's function for a square lattice with nearest neighbor interactions is used in the self-consistent equation to determine the coherent potential. It is shown that the Density of States is very much affected by the logarithmic singularities in the Green's function. Our CPA results are in excellent agreement with previous investigations by Schreiber and Toyozawa using the Monte Carlo simulation.
Parametric Amplification For Detecting Weak Optical Signals
Hemmati, Hamid; Chen, Chien; Chakravarthi, Prakash
1996-01-01
Optical-communication receivers of proposed type implement high-sensitivity scheme of optical parametric amplification followed by direct detection for reception of extremely weak signals. Incorporates both optical parametric amplification and direct detection into optimized design enhancing effective signal-to-noise ratios during reception in photon-starved (photon-counting) regime. Eliminates need for complexity of heterodyne detection scheme and partly overcomes limitations imposed on older direct-detection schemes by noise generated in receivers and by limits on quantum efficiencies of photodetectors.
Peripheral facial weakness (Bell's palsy).
Basić-Kes, Vanja; Dobrota, Vesna Dermanović; Cesarik, Marijan; Matovina, Lucija Zadro; Madzar, Zrinko; Zavoreo, Iris; Demarin, Vida
2013-06-01
Peripheral facial weakness is a facial nerve damage that results in muscle weakness on one side of the face. It may be idiopathic (Bell's palsy) or may have a detectable cause. Almost 80% of peripheral facial weakness cases are primary and the rest of them are secondary. The most frequent causes of secondary peripheral facial weakness are systemic viral infections, trauma, surgery, diabetes, local infections, tumor, immune disorders, drugs, degenerative diseases of the central nervous system, etc. The diagnosis relies upon the presence of typical signs and symptoms, blood chemistry tests, cerebrospinal fluid investigations, nerve conduction studies and neuroimaging methods (cerebral MRI, x-ray of the skull and mastoid). Treatment of secondary peripheral facial weakness is based on therapy for the underlying disorder, unlike the treatment of Bell's palsy that is controversial due to the lack of large, randomized, controlled, prospective studies. There are some indications that steroids or antiviral agents are beneficial but there are also studies that show no beneficial effect. Additional treatments include eye protection, physiotherapy, acupuncture, botulinum toxin, or surgery. Bell's palsy has a benign prognosis with complete recovery in about 80% of patients, 15% experience some mode of permanent nerve damage and severe consequences remain in 5% of patients.
Institute of Scientific and Technical Information of China (English)
Yong-ping Liu; Gui-qiao Xu
2002-01-01
The classes of the multivariate functions with bounded moduli on Rd and Td are given and their average a-widths and non-linear n-widths are discussed. The weak asymptotic behaviors are established for the corresponding quantities.
Valuation models and Simon's bounded rationality
Directory of Open Access Journals (Sweden)
Alexandra Strommer de Farias Godoi
2009-09-01
Full Text Available This paper aims at reconciling the evidence that sophisticated valuation models are increasingly used by companies in their investment appraisal with the literature of bounded rationality, according to which objective optimization is impracticable in the real world because it would demand an immense level of sophistication of the analytical and computational processes of human beings. We show how normative valuation models should rather be viewed as forms of reality representation, frameworks according to which the real world is perceived, fragmented for a better understanding, and recomposed, providing an orderly method for undertaking a task as complex as the investment decision.
Jackson's Theorem on Bounded Symmetric Domains
Institute of Scientific and Technical Information of China (English)
Ming Zhi WANG; Guang Bin REN
2007-01-01
Polynomial approximation is studied on bounded symmetric domain Ω in C n for holo-morphic function spaces X ,such as Bloch-type spaces,Bergman-type spaces,Hardy spaces,Ω algebra and Lipschitz space.We extend the classical Jackson ’s theorem to several complex variables:E k f,X ) ω (1 /k,f,X ),where E k f,X )is the deviation of the best approximation of f ∈X by polynomials of degree at mostk with respect to the X -metric and ω (1/k,f,X )is the corresponding modulus of continuity.
Energy Technology Data Exchange (ETDEWEB)
Frommer, J.E.
1980-08-01
Co/sub 3/(CO)/sub 9/CCH/sub 2/C(CH/sub 3/)/sub 3/ reacted with hydrogen in aromatic solvents to yield 3,3-dimethylbutene, 2,2-dimethylbutane, and 4,4-dimethylpentanal. First order decomposition of starting material and a hydrogen pressure dependence for the rate of appearance of total products were indicated. The hydrogenation was inhibited in the presence of carbon monoxide (CO:H/sub 2/, 3.7:3.7 atm, 60/sup 0/C), but at 85/sup 0/ under the same CO/H/sub 2/ atmosphere, aldehyde production became the predominant reaction pathway at the expense of earlier-formed olefin. Incorporation of independently added olefins in the hydrogenation suggested the intermediacy of olefin aldehyde ad alkane production. A polystyrene-attached n/sup 5/-cyclopentadienyl(tricarbonyl)-hydridomolybdenum complex was prepared and its reactions with several THF-soluble bases were investigated. Enolates of ..beta..-dicarbonyl compounds quantitatively deprotonated this complex, giving polymer-bound salts of the corresponding anion. Little change in pKa in THF was induced by binding the molybdenum hydride to the polymer. Even though the polymer-supported partners rendered the reactions heterogeneous, the systems adhered reasonably well to conventional equilibrium behavior. A polymer-bound carboxylic acid and its conjugate base also displayed essentially conventional equilibrium dynamics.
Tight Bounds for Distributed Functional Monitoring
Woodruff, David P
2011-01-01
We resolve several fundamental questions in the area of distributed functional monitoring, initiated by Cormode, Muthukrishnan, and Yi (SODA, 2008). In this model there are $k$ sites each tracking their input and communicating with a central coordinator that continuously maintain an approximate output to a function $f$ computed over the union of the inputs. The goal is to minimize the communication. We show the randomized communication complexity of estimating the number of distinct elements up to a $1+\\eps$ factor is $\\Omega(k/\\eps^2)$, improving the previous $\\Omega(k + 1/\\eps^2)$ bound and matching known upper bounds. For the $p$-th frequency moment $F_p$, $p > 1$, we improve the previous $\\Omega(k + 1/\\eps^2)$ communication bound to $\\tilde{\\Omega}(k^{p-1}/\\eps^2)$. We obtain similar improvements for heavy hitters, empirical entropy, and other problems. We also show that we can estimate $F_p$, for any $p > 1$, using $\\tilde{O}(k^{p-1}\\poly(\\eps^{-1}))$ communication. This drastically improves upon the pre...
Emergence of the giant weak component in directed random graphs with arbitrary degree distributions
Kryven, Ivan
2016-07-01
The weak component generalizes the idea of connected components to directed graphs. In this paper, an exact criterion for the existence of the giant weak component is derived for directed graphs with arbitrary bivariate degree distributions. In addition, we consider a random process for evolving directed graphs with bounded degrees. The bounds are not the same for different vertices but satisfy a predefined distribution. The analytic expression obtained for the evolving degree distribution is then combined with the weak-component criterion to obtain the exact time of the phase transition. The phase-transition time is obtained as a function of the distribution that bounds the degrees. Remarkably, when viewed from the step-polymerization formalism, the new results yield Flory-Stockmayer gelation theory and generalize it to a broader scope.
Warping the Weak Gravity Conjecture
Directory of Open Access Journals (Sweden)
Karta Kooner
2016-08-01
Full Text Available The Weak Gravity Conjecture, if valid, rules out simple models of Natural Inflation by restricting their axion decay constant to be sub-Planckian. We revisit stringy attempts to realise Natural Inflation, with a single open string axionic inflaton from a probe D-brane in a warped throat. We show that warped geometries can allow the requisite super-Planckian axion decay constant to be achieved, within the supergravity approximation and consistently with the Weak Gravity Conjecture. Preliminary estimates of the brane backreaction suggest that the probe approximation may be under control. However, there is a tension between large axion decay constant and high string scale, where the requisite high string scale is difficult to achieve in all attempts to realise large field inflation using perturbative string theory. We comment on the Generalized Weak Gravity Conjecture in the light of our results.
Interpolation for weak Orlicz spaces with condition
Institute of Scientific and Technical Information of China (English)
JIAO Yong; PENG LiHua; LIU PeiDe
2008-01-01
An interpolation theorem for weak Orlicz spaces generalized by N-functions satisfying M△ condition is given.It is proved to be true for weak Orlicz martingale spaces by weak atomic decomposition of weak Hardy martingale spaces.And applying the interpolation theorem,we obtain some embedding relationships among weak Orlicz martingale spaces.
Electromagnetism in nonleptonic weak interactions
Energy Technology Data Exchange (ETDEWEB)
Ecker, G. E-mail: ecker@doppler.thp.univie.ac.at; Isidori, G.; Mueller, G.; Neufeld, H.; Pich, A
2000-12-18
We construct a low-energy effective field theory that permits the complete treatment of isospin-breaking effects in nonleptonic weak interactions to next-to-leading order. To this end, we enlarge the chiral Lagrangian describing strong and {delta}S=1 weak interactions by including electromagnetic terms with the photon as additional dynamical degree of freedom. The complete and minimal list of local terms at next-to-leading order is given. We perform the one-loop renormalization at the level of the generating functional and specialize to K{yields}{pi}{pi} decays.
Cosmology and the weak interaction
Energy Technology Data Exchange (ETDEWEB)
Schramm, D.N. (Fermi National Accelerator Lab., Batavia, IL (USA)):(Chicago Univ., IL (USA))
1989-12-01
The weak interaction plays a critical role in modern Big Bang cosmology. This review will emphasize two of its most publicized cosmological connections: Big Bang nucleosynthesis and Dark Matter. The first of these is connected to the cosmological prediction of Neutrino Flavours, N{sub {nu}} {approximately} 3 which is now being confirmed at SLC and LEP. The second is interrelated to the whole problem of galaxy and structure formation in the universe. This review will demonstrate the role of the weak interaction both for dark matter candidates and for the problem of generating seeds to form structure. 87 refs., 3 figs., 5 tabs.
Weak disorder in Fibonacci sequences
Energy Technology Data Exchange (ETDEWEB)
Ben-Naim, E [Theoretical Division and Center for Nonlinear Studies, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Krapivsky, P L [Department of Physics and Center for Molecular Cybernetics, Boston University, Boston, MA 02215 (United States)
2006-05-19
We study how weak disorder affects the growth of the Fibonacci series. We introduce a family of stochastic sequences that grow by the normal Fibonacci recursion with probability 1 - {epsilon}, but follow a different recursion rule with a small probability {epsilon}. We focus on the weak disorder limit and obtain the Lyapunov exponent that characterizes the typical growth of the sequence elements, using perturbation theory. The limiting distribution for the ratio of consecutive sequence elements is obtained as well. A number of variations to the basic Fibonacci recursion including shift, doubling and copying are considered. (letter to the editor)
Remarks on missing faces and generalized lower bounds on face numbers
Nevo, Eran
2008-01-01
We consider simplicial polytopes, and more general simplicial complexes, without missing faces above a fixed dimension. Sharp analogues of McMullen's generalized lower bounds, and of Barnette's lower bounds, are conjectured for these families of complexes. Some partial results on these conjectures are presented.
The fate of the weakly-bound $\\psi(2s)$ in nuclear matter
Durham, J Matthew
2014-01-01
We present new results of a completed PHENIX analysis of $\\psi(2s)$ modification at midrapidity in 200 GeV $d+$Au collisions. Strong suppression of the $\\psi(2s)$ relative to the $J/\\psi$ is observed. This difference in suppression is too strong to be explained by breakup effects in the nucleus, due to the short nuclear crossing times at RHIC. Given the observation of long range correlations in $p(d)+$A collisions at LHC and RHIC, consistent with hydrodynamics, these observations raise interesting questions about the mechanism of $\\psi(2s)$ suppression when it is produced in a nuclear target. In 2012, the PHENIX Collaboration installed the FVTX, a silicon tracker that precisely measures muon pair opening angles prior to any multiple scattering in the muon arm absorber, and thus provides an improved dimuon mass resolution. The FVTX allows the $\\psi(2s)$ to be separated from the $J/\\psi$ at forward and backward rapidity for the first time at RHIC. We present new results on $\\psi(2s)$ production in $p+p$ collisi...
Probing transfer to unbound states of the ejectile with weakly bound 7Li on 93Nb
Pandit, S K; Mahata, K; Keeley, N; Parkar, V V; Rout, P C; Martel, I; Palshetkar, C S; Kumar, A; Ramachandran, K; Patale, P; Chatterjee, A; Kailas, S
2016-01-01
The two-step process of transfer followed by breakup is explored by measuring a rather complete set of exclusive data for reaction channels populating states in the ejectile continua of the $^7$Li+$^{93}$Nb system at energies close to the Coulomb barrier. The cross sections for $\\alpha+\\alpha$ events from one proton pickup were found to be smaller than those for $\\alpha+d$ events from one neutron stripping and $\\alpha+t$ events from direct breakup of $^7$Li. Coupled channels Born approximation and continuum discretized coupled channels calculations describe the data well and support the conclusion that the $\\alpha+d$ and $\\alpha+\\alpha$ events are produced by direct transfer to unbound states of the ejectile.
Bekenstein entropy bound for weakly-coupled field theories on a 3-sphere
Myers, Joyce C.
2012-01-01
We calculate the high temperature partition functions for SU(N-c) orU(N-c) gauge theories in the deconfined phase on 51 x 53, with scalars, vectors, and/or fermions in an at representation, at zero 't Hooft coupling and large N-c, using, analytical methods. We compare these with numerical results wh
Pairing-induced localization of the particle continuum in weakly bound nuclei
Fayans, S A; Zawischa, D
2000-01-01
The Hartree-Fock-Bogolyubov (HFB) problem for the cutoff local energy-density functional is solved numerically by using the Gor'kov formalism with an exact treatment of the particle continuum. The contributions from the resonant and "gas" continuum to the spectral density of the HFB eigenstates as well as the shifting and broadening of the discrete HF hole orbitals are clearly demonstrated with the illustrative example of the drip-line nucleus ^{70}Ca. The structure of the neutron density distribution in the localized ground state is analyzed, and the formation of its extended tail ("halo") is shown to be a collective pairing effect.
Suppression of the weakly-bound excited Υ states in HI collisions
2011-01-01
CMS was able to observe for the first time this phenomenon by comparing last year’s HI collisions at 2.76 TeV/nucleon with the pp collisions that took place at the same energy earlier this year. For more, visit: http://bit.ly/Y-melting
Near-barrier Fusion and Breakup/Transfer induced by Weakly Bound and Exotic Halo Nuclei
Beck, C
2007-01-01
The influence on the fusion process of coupling to collective degrees of freedom has been explored. The significant enhancement of the fusion cross section at sub-barrier energies was compared to predictions of one-dimensional barrier penetration models. This was understood in terms of the dynamical processes arising from strong couplings to collective inelastic excitations of the target and projectile. However, in the case of reactions where at least one of the colliding nuclei has a sufficiently low binding energy, for breakup to become an important process, conflicting model predictions and experimental results have been reported in the literature. Excitation functions for sub- and near-barrier total (complete + incomplete) fusion cross sections have been measured for the $^{6,7}$Li+$^{59}$Co reactions. Elastic scattering as well as breakup/transfer yields have also been measured at several incident energies. Results of Continuum-Discretized Coupled-Channel ({\\sc Cdcc}) calculations describe reasonably wel...
Optical Potential Parameters of Weakly Bound Nuclear System 17F+13C
Institute of Scientific and Technical Information of China (English)
2008-01-01
<正>It is well known that optical potential is a basic ingredient in the study of nucleus-nucleus collisions. With the application of radioactive ion beams (RIB), extracting the optical potential parameters for the
Inclusive breakup of three-fragment weakly bound and Borromean nuclei
Carlson, Brett V; Hussein, Mahir S
2016-01-01
The inclusive breakup of three-fragment projectiles is discussed within a four-body spectator model. Both the elastic breakup and the non-elastic breakup are obtained in a unified framework. Originally developed in the 80's for two-fragment projectiles such as the deuteron, the theory is successfully generalized to Borromean projectiles. The expression obtained for the inclusive cross section allows the extraction of the incomplete fusion cross section, and accordingly generalizes the surrogate method to cases such as (t,p) and (t,n) reactions. It is found that two-fragment correlations inside the projectile affect in a conspicuous way the elastic breakup cross section. The inclusive non-elastic breakup cross section is found to contain the contribution of a three-body absorption term that is also strongly influenced by the two-fragment correlations.
Okołowicz, J; Płoszajczak, M; Macchiavelli, A O; Smirnova, N A
2015-01-01
There is a considerable interest in understanding the dependence of one-nucleon removal cross sections on the asymmetry of the neutron $S_n$ and proton $S_p$ separation energies, following a large amount of experimental data and theoretical analyses in a framework of sudden and eikonal approximations of the reaction dynamics. These theoretical calculations involve both the single-particle cross section and the shell-model description of the projectile initial state and final states of the reaction residues. The configuration mixing in shell-model description of nuclear states depends on the proximity of one-nucleon decay threshold but does it depend sensitively on $S_n - S_p$? To answer this question, we use the shell model embedded in the continuum to investigate the dependence of one-nucleon spectroscopic factors on the asymmetry of $S_n$ and $S_p$ for mirror nuclei $^{24}$Si, $^{24}$Ne and $^{28}$S, $^{28}$Mg and for a series of neon isotopes ($20 \\leq A \\leq 28$).