Differential effects of sulfhydryl reagents on saxitoxin and tetrodotoxin block of voltage-dependent Na channels

We have probed a cysteine residue that confers resistance to tetrodotoxin (TTX) block in heart Na channels, with membrane-impermeant, cysteine-specific, methanethiosulfonate (MTS) analogs. Covalent addition of a positively charged group to the cysteinyl sulfhydryl reduced pore conductance by 87%. The effect was selectively prevented by treatment with TTX, but not saxitoxin (STX). Addition of a negatively charged group selectively inhibited STX block without affecting TTX block. These results agree with models that place an exposed cysteinyl sulfhydryl in the TTX site adjacent to the mouth of the pore, but do not support the contention that STX and TTX are interchangeable. The surprising differences between the two toxins are consistent with the hypothesis that the toxin-receptor complex can assume different conformations when STX or TTX bound

ON COMPUTER SIMULATION AS A COMPONENT IN INFORMATION SYSTEMS RESEARCH

Computer simulation is widely regarded as a useful activity during various phases of research. However, depending on its context, the meaning, definition, and focus of the term can vary: In traffic planning, for example, simulation is used to determine useful configurations of a road network, thus focusing on the environment. An entirely different perspective is used within multi-agent systems. In such settings, the environment of the agents remains static, while the interesting research questions concern the behavior of the agents themselves. The research focuses on the microscopic level and the resulting emergent behavior. This article puts such diverse meanings in the context of a research process that treats descriptive and prescriptive research as two sides of the same coin. We develop a framework to classify different types of simulation, based on the actual research activity they are intended to be used for. Two case studies supplement the framework

Region graph partition function expansion and approximate free energy landscapes: Theory and some numerical results

Graphical models for finite-dimensional spin glasses and real-world combinatorial optimization and satisfaction problems usually have an abundant number of short loops. The cluster variation method and its extension, the region graph method, are theoretical approaches for treating the complicated short-loop-induced local correlations. For graphical models represented by non-redundant or redundant region graphs, approximate free energy landscapes are constructed in this paper through the mathematical framework of region graph partition function expansion. Several free energy functionals are obtained, each of which use a set of probability distribution functions or functionals as order parameters. These probability distribution function/functionals are required to satisfy the region graph belief-propagation equation or the region graph survey-propagation equation to ensure vanishing correction contributions of region subgraphs with dangling edges. As a simple application of the general theory, we perform region graph belief-propagation simulations on the square-lattice ferromagnetic Ising model and the Edwards-Anderson model. Considerable improvements over the conventional Bethe-Peierls approximation are achieved. Collective domains of different sizes in the disordered and frustrated square lattice are identified by the message-passing procedure. Such collective domains and the frustrations among them are responsible for the low-temperature glass-like dynamical behaviors of the system.Comment: 30 pages, 11 figures. More discussion on redundant region graphs. To be published by Journal of Statistical Physic

Dynamic scaling and aging phenomena in short-range Ising spin glass: Cu0.5_{0.5}Co0.5_{0.5}Cl2_{2}-FeCl3_{3} graphite bi-intercalation compound

Static and dynamic behavior of short-range Ising-spin glass Cu$_{0.5}$Co$_{0.5}$Cl$_{2}$-FeCl$_{3}$ graphite bi-intercalation compounds (GBIC) has been studied with SQUID DC and AC magnetic susceptibility. The $T$ dependence of the zero-field relaxation time $\tau$ above a spin-freezing temperature $T_{g}$ (= 3.92 $\pm$ 0.11 K) is well described by critical slowing down. The absorption $\chi^{\prime\prime}$ below $T_{g}$ decreases with increasing angular frequency $\omega$, which is in contrast to the case of 3D Ising spin glass. The dynamic freezing temperature $T_{f}(H,\omega)$ at which d$M_{FC}(T,H)/$d$H=\chi^{\prime}(T,H=0,\omega)$, is determined as a function of frequency (0.01 Hz $\leq \omega/2\pi \leq$ 1 kHz) and magnetic field (0 $\leq H \leq$ 5 kOe). The dynamic scaling analysis of the relaxation time $\tau(T,H)$ defined as $\tau = 1/\omega$ at $T = T_{f}(H,\omega)$ suggests the absence of SG phase in the presence of $H$ (at least above 100 Oe). Dynamic scaling analysis of $\chi^{\prime \prime}(T, \omega)$ and $\tau(T,H)$ near $T_{g}$ leads to the critical exponents ($\beta$ = 0.36 $\pm$ 0.03, $\gamma$ = 3.5 $\pm$ 0.4, $\nu$ = 1.4 $\pm$ 0.2, $z$ = 6.6 $\pm$ 1.2, $\psi$ = 0.24 $\pm$ 0.02, and $\theta$ = 0.13 $\pm$ 0.02). The aging phenomenon is studied through the absorption $\chi^{\prime \prime}(\omega, t)$ below $T_{g}$. It obeys a $(\omega t)^{-b^{\prime \prime}}$ power-law decay with an exponent $b^{\prime \prime}\approx 0.15 - 0.2$. The rejuvenation effect is also observed under sufficiently large (temperature and magnetic-field) perturbations.Comment: 14 pages, 19 figures; to be published in Phys. Rev. B (September 1, 2003

All-optical switching and strong coupling using tunable whispering-gallery-mode microresonators

We review our recent work on tunable, ultrahigh quality factor whispering-gallery-mode bottle microresonators and highlight their applications in nonlinear optics and in quantum optics experiments. Our resonators combine ultra-high quality factors of up to Q = 3.6 \times 10^8, a small mode volume, and near-lossless fiber coupling, with a simple and customizable mode structure enabling full tunability. We study, theoretically and experimentally, nonlinear all-optical switching via the Kerr effect when the resonator is operated in an add-drop configuration. This allows us to optically route a single-wavelength cw optical signal between two fiber ports with high efficiency. Finally, we report on progress towards strong coupling of single rubidium atoms to an ultra-high Q mode of an actively stabilized bottle microresonator.Comment: 20 pages, 24 figures. Accepted for publication in Applied Physics B. Changes according to referee suggestions: minor corrections to some figures and captions, clarification of some points in the text, added references, added new paragraph with results on atom-resonator interactio

Spin dynamics of stripes

The spin dynamics of stripes in high-temperature superconductors and related compounds is studied in the framework of a spin-wave theory for a simple spin-only model. The magnon dispersion relation and the magnetic structure factor are calculated for diagonal and vertical stripes. Acoustical as well as optical bands are included in the analysis. The incommensurability and the $\pi$ resonance appear as complementary features of the band structure at different energy scales. The dependence of spin-wave velocities and resonance frequencies on the stripe spacing and coupling is calculated. At low doping, the resonance frequency is found to scale roughly inversely proportional to the stripe spacing. The favorable comparison of the results with experimental data suggests that the spin-only model provides a suitable and simple basis for calculating and understanding the spin dynamics of stripes.Comment: 11 page, 10 figures, pdf version with high-res.pics at http://www.thp.uni-koeln.de/~sts

Spectral and transport properties of doped Mott-Hubbard systems with incommensurate magnetic order

We present spectral and optical properties of the Hubbard model on a two-dimensional square lattice using a generalization of dynamical mean-field theory to magnetic states in finite dimension. The self-energy includes the effect of spin fluctuations and screening of the Coulomb interaction due to particle-particle scattering. At half-filling the quasiparticles reduce the width of the Mott-Hubbard `gap' and have dispersions and spectral weights that agree remarkably well with quantum Monte Carlo and exact diagonalization calculations. Away from half-filling we consider incommensurate magnetic order with a varying local spin direction, and derive the photoemission and optical spectra. The incommensurate magnetic order leads to a pseudogap which opens at the Fermi energy and coexists with a large Mott-Hubbard gap. The quasiparticle states survive in the doped systems, but their dispersion is modified with the doping and a rigid band picture does not apply. Spectral weight in the optical conductivity is transferred to lower energies and the Drude weight increases linearly with increasing doping. We show that incommensurate magnetic order leads also to mid-gap states in the optical spectra and to decreased scattering rates in the transport processes, in qualitative agreement with the experimental observations in doped systems. The gradual disappearence of the spiral magnetic order and the vanishing pseudogap with increasing temperature is found to be responsible for the linear resistivity. We discuss the possible reasons why these results may only partially explain the features observed in the optical spectra of high temperature superconductors.Comment: 22 pages, 18 figure

Directed flow in Au+Au, Xe+CsI and Ni+Ni collisions and the nuclear equation of state

We present new experimental data on directed flow in collisions of Au+Au, Xe+CsI and Ni+Ni at incident energies from 90 to 400A MeV. We study the centrality and system dependence of integral and differential directed flow for particles selected according to charge. All the features of the experimental data are compared with Isospin Quantum Molecular Dynamics (IQMD) model calculations in an attempt to extract information about the nuclear matter equation of state (EoS). We show that the combination of rapidity and transverse momentum analysis of directed flow allow to disentangle various parametrizations in the model. At 400A MeV, a soft EoS with momentum dependent interactions is best suited to explain the experimental data in Au+Au and Xe+CsI, but in case of Ni+Ni the model underpredicts flow for any EoS. At 90A MeV incident beam energy, none of the IQMD parametrizations studied here is able to consistently explain the experimental data.Comment: RevTeX, 20 pages, 30 eps figures, accepted for publication in Phys. Rev. C. Data files available at http://www.gsi.de/~fopiwww/pub

Pharmacology and Surface Electrostatics of the K Channel Outer Pore Vestibule

In spite of a generally well-conserved outer vestibule and pore structure, there is considerable diversity in the pharmacology of K channels. We have investigated the role of specific outer vestibule charged residues in the pharmacology of K channels using tetraethylammonium (TEA) and a trivalent TEA analog, gallamine. Similar to Shaker K channels, gallamine block of Kv3.1 channels was more sensitive to solution ionic strength than was TEA block, a result consistent with a contribution from an electrostatic potential near the blocking site. In contrast, TEA block of another type of K channel (Kv2.1) was insensitive to solution ionic strength and these channels were resistant to block by gallamine. Neutralizing either of two lysine residues in the outer vestibule of these Kv2.1 channels conferred ionic strength sensitivity to TEA block. Kv2.1 channels with both lysines neutralized were sensitive to block by gallamine, and the ionic strength dependence of this block was greater than that for TEA. These results demonstrate that Kv3.1 (like Shaker) channels contain negatively charged residues in the outer vestibule of the pore that influence quaternary ammonium pharmacology. The presence of specific lysine residues in wild-type Kv2.1 channels produces an outer vestibule with little or no net charge, with important consequences for quaternary ammonium block. Neutralizing these key lysines results in a negatively charged vestibule with pharmacological properties approaching those of other types of K channels

First Measurement of Z/gamma* Production in Compton Scattering of Quasi-real Photons

We report the first observation of Z/gamma* production in Compton scattering of quasi-real photons. This is a subprocess of the reaction e+e- to e+e-Z/gamma*, where one of the final state electrons is undetected. Approximately 55 pb-1 of data collected in the year 1997 at an e+e- centre-of-mass energy of 183 GeV with the OPAL detector at LEP have been analysed. The Z/gamma* from Compton scattering has been detected in the hadronic decay channel. Within well defined kinematic bounds, we measure the product of cross-section and Z/gamma* branching ratio to hadrons to be (0.9+-0.3+-0.1) pb for events with a hadronic mass larger than 60 GeV, dominated by (e)eZ production. In the hadronic mass region between 5 GeV and 60 GeV, dominated by (e)egamma* production, this product is found to be (4.1+-1.6+-0.6) pb. Our results agree with the predictions of two Monte Carlo event generators, grc4f and PYTHIA.Comment: 18 pages, LaTeX, 5 eps figures included, submitted to Physics Letters