Collective Molecular Dynamics in Proteins and Membranes

The understanding of dynamics and functioning of biological membranes and in particular of membrane embedded proteins is one of the most fundamental problems and challenges in modern biology and biophysics. In particular the impact of membrane composition and properties and of structure and dynamics of the surrounding hydration water on protein function is an upcoming hot topic, which can be addressed by modern experimental and computational techniques. Correlated molecular motions might play a crucial role for the understanding of, for instance, transport processes and elastic properties, and might be relevant for protein function. Experimentally that involves determining dispersion relations for the different molecular components, i.e., the length scale dependent excitation frequencies and relaxation rates. Only very few experimental techniques can access dynamical properties in biological materials on the nanometer scale, and resolve dynamics of lipid molecules, hydration water molecules and proteins and the interaction between them. In this context, inelastic neutron scattering turned out to be a very powerful tool to study dynamics and interactions in biomolecular materials up to relevant nanosecond time scales and down to the nanometer length scale. We review and discuss inelastic neutron scattering experiments to study membrane elasticity and protein-protein interactions of membrane embedded proteins

Voluntary nicotine consumption triggers in vivo potentiation of cortical excitatory drives to midbrain dopaminergic neurons

International audienceActive response to either natural or pharmacological reward causes synaptic modifications to excitatory synapses on dopamine (DA) neurons of the ventral tegmental area (VTA). Here, we examine these modifications using nicotine, the main addictive component of tobacco, which is a potent regulator of VTA DA neurons. Using an in vivo electrophysiological technique, we investigated the role of key components of the limbic circuit, the infralimbic cortex (ILCx) and the bed nucleus of the stria terminalis (BNST), in operant behaviors related to nicotine reward. Our results indicated that nicotine self-administration in rats, but not passive delivery, triggers hyperactivity of VTA DA neurons. The data suggest that potentiation of the ILCx-BNST excitatory pathway is involved in these modifications in VTA DA neurons. Thus, recruitment of these specific excitatory inputs to VTA DA neurons may be a neural correlate for the learned association between active responding and the reward experience

Thermal phase diagrams of columnar liquid crystals

In order to understand the possible sequence of transitions from the disordered columnar phase to the helical phase in hexa(hexylthio)triphenylene (HHTT), we study a three-dimensional planar model with octupolar interactions inscribed on a triangular lattice of columns. We obtain thermal phase diagrams using a mean-field approximation and Monte Carlo simulations. These two approaches give similar results, namely, in the quasi one-dimensional regime, as the temperature is lowered, the columns order with a linear polarization, whereas helical phases develop at lower temperatures. The helicity patterns of the helical phases are determined by the exact nature of the frustration in the system, itself related to the octupolar nature of the molecules.Comment: 12 pages, 9 figures, ReVTe

The Smectic AA-CC Phase Transition in Biaxial Disordered Environments

We study the smectic $A$-$C$ phase transition in biaxial disordered environments, e.g. fully anisotropic aerogel. We find that both the $A$ and $C$ phases belong to the universality class of the "XY Bragg glass", and therefore have quasi-long-ranged translational smectic order. The phase transition itself belongs to a new universality class, which we study using an $\epsilon=7/2-d$ expansion. We find a stable fixed point, which implies a continuous transition, the critical exponents of which we calculate

Nonequilibrium steady states in a vibrated-rod monolayer: tetratic, nematic and smectic correlations

We study experimentally the nonequilibrium phase behaviour of a horizontal monolayer of macroscopic rods. The motion of the rods in two dimensions is driven by vibrations in the vertical direction. Aside from the control variables of packing fraction and aspect ratio that are typically explored in molecular liquid crystalline systems, due to the macroscopic size of the particles we are also able to investigate the effect of the precise shape of the particle on the steady states of this driven system. We find that the shape plays an important role in determining the nature of the orientational ordering at high packing fraction. Cylindrical particles show substantial tetratic correlations over a range of aspect ratios where spherocylinders have previously been shown by Bates et al (JCP 112, 10034 (2000)) to undergo transitions between isotropic and nematic phases. Particles that are thinner at the ends (rolling pins or bails) show nematic ordering over the same range of aspect ratios, with a well-established nematic phase at large aspect ratio and a defect-ridden nematic state with large-scale swirling motion at small aspect ratios. Finally, long-grain, basmati rice, whose geometry is intermediate between the two shapes above, shows phases with strong indications of smectic order.Comment: 18 pages and 13 eps figures, references adde

First order isotropic - smectic-A transition in liquid crystal-aerosil gels

The short-range order which remains when the isotropic to smectic-A transition is perturbed by a gel of silica nanoparticles (aerosils) has been studied using high-resolution synchrotron x-ray diffraction. The gels have been created \textit{in situ} in decylcyanobiphenyl (10CB), which has a strongly first-order isotropic to smectic-A transition. The effects are determined by detailed analysis of the temperature and gel density dependence of the smectic structure factor. In previous studies of the continuous nematic to smectic-A transition in a variety of thermotropic liquid crystals the aerosil gel appeared to pin, at random, the phase of the smectic density modulation. For the isotropic to smectic-A transition the same gel perturbation yields different results. The smectic correlation length decreases more slowly with increasing random field variance in good quantitative agreement with the effect of a random pinning field at a transition from a uniform phase directly to a phase with one-dimensional translational order. We thus compare the influence of random fields on a \textit{freezing} transition with and without an intervening orientationally ordered phase.Comment: 8 pages, 8 figure

Histogram Monte Carlo study of multicritical behavior in the hexagonal easy-axis Heisenberg antiferromagnet

The results of a detailed histogram Monte-Carlo study of critical-fluctuation effects on the magnetic-field temperature phase diagram associated with the hexagonal Heisenberg antiferromagnet with weak axial anisotropy are reported. The multiphase point where three lines of continuous transitions merge at the spin-flop boundary exhibits a structure consistent with scaling theory but without the usual umbilicus as found in the case of a bicritical point.Comment: 7 pages (RevTex 3.0), 1 figure available upon request, CRPS-93-1

Fluctuations and phase transitions in Larkin-Ovchinnikov liquid crystal states of population-imbalanced resonant Fermi gas

Motivated by a realization of imbalanced Feshbach-resonant atomic Fermi gases, we formulate a low-energy theory of the Fulde-Ferrell and the Larkin-Ovchinnikov (LO) states and use it to analyze fluctuations, stability, and phase transitions in these enigmatic finite momentum-paired superfluids. Focusing on the unidirectional LO pair-density wave state, that spontaneously breaks the continuous rotational and translational symmetries, we show that it is characterized by two Goldstone modes, corresponding to a superfluid phase and a smectic phonon. Because of the liquid-crystalline "softness" of the latter, at finite temperature the 3d state is characterized by a vanishing LO order parameter, quasi-Bragg peaks in the structure and momentum distribution functions, and a "charge"-4, paired Cooper-pairs, off-diagonal-long-range order, with a superfluid-stiffness anisotropy that diverges near a transition into a nonsuperfluid state. In addition to conventional integer vortices and dislocations the LO superfluid smectic exhibits composite half-integer vortex-dislocation defects. A proliferation of defects leads to a rich variety of descendant states, such as the "charge"-4 superfluid and Fermi-liquid nematics and topologically ordered nonsuperfluid states, that generically intervene between the LO state and the conventional superfluid and the polarized Fermi-liquid at low and high imbalance, respectively. The fermionic sector of the LO gapless superconductor is also quite unique, exhibiting a Fermi surface of Bogoliubov quasiparticles associated with the Andreev band of states, localized on the array of the LO domain-walls.Comment: 56 pages, 21 figure

Magnetic-Field Induced First-Order Transition in the Frustrated XY Model on a Stacked Triangular Lattice

The results of extensive Monte Carlo simulations of magnetic-field induced transitions in the xy model on a stacked triangular lattice with antiferromagnetic intraplane and ferromagnetic interplane interactions are discussed. A low-field transition from the paramagnetic to a 3-state (Potts) phase is found to be very weakly first order with behavior suggesting tricriticality at zero field. In addition to clarifying some long-standing ambiguity concerning the nature of this Potts-like transition, the present work also serves to further our understanding of the critical behavior at $T_N$, about which there has been much controversy.Comment: 10 pages (RevTex 3.0), 4 figures available upon request, CRPS-93-0

Histogram Monte Carlo study of next-nearest-neighbor Ising antiferromagnet on a stacked triangular lattice

Critical properties of the Ising model on a stacked triangular lattice, with antiferromagnetic first and second-neighbor in-plane interactions, are studied by extensive histogram Monte Carlo simulations. The results, in conjunction with the recently determined phase diagram, strongly suggest that the transition from the period-3 ordered state to the paramagnetic phase remains in the xy universality class. This conclusion is in contrast with a previous suggestion of mean-field tricritical behavior.Comment: 13 pages (RevTex 3.0), 10 figures available upon request, CRPS-93-0