Differential dynamics of the serotonin(1A) receptor in membrane bilayers of varying cholesterol content revealed by all atom molecular dynamics simulation

The serotonin(1A) receptor belongs to the superfamily of G protein-coupled receptors (GPCRs) and is a potential drug target in neuropsychiatric disorders. The receptor has been shown to require membrane cholesterol for its organization, dynamics and function. Although recent work suggests a close interaction of cholesterol with the receptor, the structural integrity of the serotonin(1A) receptor in the presence of cholesterol has not been explored. In this work, we have carried out all atom molecular dynamics simulations, totaling to 3s, to analyze the effect of cholesterol on the structure and dynamics of the serotonin(1A) receptor. Our results show that the presence of physiologically relevant concentration of membrane cholesterol alters conformational dynamics of the serotonin(1A) receptor and, on an average lowers conformational fluctuations. Our results show that, in general, transmembrane helix VII is most affected by the absence of membrane cholesterol. These results are in overall agreement with experimental data showing enhancement of GPCR stability in the presence of membrane cholesterol. Our results constitute a molecular level understanding of GPCR-cholesterol interaction, and represent an important step in our overall understanding of GPCR function in health and disease.

Coherent Structures in Transition of a Flat-Plate Boundary Layer at Ma=0.7

Direct numerical simulation (DNS) of a spatially evolving flat-plate boundary layer transition process at free stream Mach number 0.7 is performed. Tollmien-Schlichting (T-S) waves are added on the inlet boundary as the disturbances before transition. Typical coherent structures in the transition process are investigated based on the second invariant of velocity gradient tensor. The instantaneous shear stress and the mean velocity profile in the transition region are studied. In our view, the fact that the peak value of shear stress in the stress concentration area increases and exceeds a threshold value during the later stage of the transition process plays an important role in the laminar breakdown process.

Measurement and simulation of surface roughness noise using phased microphone arrays

A turbulent boundary-layer flow over a rough wall generates a dipole sound field as the near-field hydrodynamic disturbances in the turbulent boundary-layer scatter into radiated sound at small surface irregularities. In this paper, phased microphone arrays are applied to the measurement and simulation of surface roughness noise. The radiated sound from two rough plates and one smooth plate in an open jet is measured at three streamwise locations, and the beamforming source maps demonstrate the dipole directivity. Higher source strengths can be observed on the rough plates which also enhance the trailing-edge noise. A prediction scheme in previous theoretical work is used to describe the strength of a distribution of incoherent dipoles and to simulate the sound detected by the microphone array. Source maps of measurement and simulation exhibit satisfactory similarities in both source pattern and source strength, which confirms the dipole nature and the predicted magnitude of roughness noise. However, the simulations underestimate the streamwise gradient of the source strengths and overestimate the source strengths at the highest frequency. © 2008 Elsevier Ltd. All rights reserved.

On the Evolution of Simple Shear in Saturated Soils

Development of shear bands in saturated soils is a multi-stage process based on the theoretical and numerical investigations in this paper. The soil is initially in homogenous shear strain state, and the instability can be characterized by a dimensionless number D. The inhomogenous distribution of shear strains appears when D>1, and the shear band will initiate and develop gradually. Numerical solutions show that only single shear band that is finally formed in the central region of the specimen even several disturbances (distributed along the specimen) appear in the beginning.

Generation and scattering of sound in vortical flow

We present solutions to scattering problems for unsteady disturbances to a mean swirling flow in an annular duct with a rigid 'splitter'. This situation has application to rotor-stator interaction noise in aeroengines, where the flow downstream of the fan is swirling and bifurcates into the by-pass duct and the engine core. We also consider the trailing edge extension of this problem. Inviscid mean flow in a cylindrical annulus is considered, with both axial and swirling (azimuthal) velocity components. The presence of vorticity in the mean flow couples the acoustic and vorticity modes of irrotational flow. Instead we have one combined spectrum of acoustic-vorticity waves in which the 'sonic' and 'nearly-convected' modes are fully coupled. In addition to the aeroacoustics application the results offer insight into the behaviour of these acoustic-vorticity waves, and the precise nature of the coupling between the two types of mode. Two regimes are discussed in which progress has been made, one for a specialised mean flow, uniform axial flow and rigid body swirl, and a second regime in which the frequency is assumed large, valid for any axisymmetric mean flow. The Wiener-Hopf technique is used to solve the scattering problems mathematically, and we present numerical evaluations of these solutions. Several new effects are seen to arise due to the mean vorticity, in particular the generation of sound at a trailing edge due to the scattering of a nearly convected disturbance, in contrast to the way a convected gust silently passes a trailing edge in uniform mean flow.

A time domain computation method for dynamic behavior of mooring system

A quasi-steady time domain method is developed for the prediction of dynamic behavior of a mooring system under the environmental disturbances, such as regular or irregular waves, winds and currents. The mooring forces are obtained in a static sense at each instant. The dynamic feature of the mooring cables can be obtained by incorporating the extended 3-D lumped-mass method with the known ship motion history. Some nonlinear effects, such as the influence of the instantaneous change of the wetted hull surface on the hydrostatic restoring forces and Froude-Krylov forces, are included. The computational results show a satisfactory agreement with the experimental ones.

Numerical Investigation On Evolution Of Cylindrical Cellular Detonation

Cylindrical cellular detonation is numerically investigated by solving two-dimensional reactive Euler equations with a finite volume method on a two-dimensional self-adaptive unstructured mesh. The one-step reversible chemical reaction model is applied to simplify the control parameters of chemical reaction. Numerical results demonstrate the evolution of cellular cell splitting of cylindrical cellular detonation explored in experimentas. Split of cellular structures shows different features in the near-field and far-field from the initiation zone. Variation of the local curvature is a key factor in the behavior of cell split of cylindrical cellular detonation in propagation. Numerical results show that split of cellular structures comes from the self-organization of transverse waves corresponding to the development of small disturbances along the detonation front related to detonation instability.

A field model interpretation of crack initiation and growth behavior in ferroelectric ceramics: change of poling direction and boundary condition

Strain energy density expressions are obtained from a field model that can qualitatively exhibit how the electrical and mechanical disturbances would affect the crack growth behavior in ferroelectric ceramics. Simplification is achieved by considering only three material constants to account for elastic, piezoelectric and dielectric effects. Cross interaction of electric field (or displacement) with mechanical stress (or strain) is identified with the piezoelectric effect; it occurs only when the pole is aligned normal to the crack. Switching of the pole axis by 90degrees and 180degrees is examined for possible connection with domain switching. Opposing crack growth behavior can be obtained when the specification of mechanical stress sigma(infinity) and electric field E-infinity or (sigma(infinity), E-infinity) is replaced by strain e and electric displacement D-infinity or (epsilon(infinity), D-infinity). Mixed conditions (sigma(infinity),D-infinity) and (epsilon(infinity),E-infinity) are also considered. In general, crack growth is found to be larger when compared to that without the application of electric disturbances. This includes both the electric field and displacement. For the eight possible boundary conditions, crack growth retardation is identified only with (E-y(infinity),sigma(y)(infinity)) for negative E-y(infinity) and (D-y(infinity), epsilon(y)(infinity)) for positive D-y(infinity) while the mechanical conditions sigma(y)(infinity) or epsilon(y)infinity are not changed. Suitable combinations of the elastic, piezoelectric and dielectric material constants could also be made to suppress crack growth. (C) 2002 Published by Elsevier Science Ltd.

Proper orthogonal decomposition of oscillatory Marangoni flow in half-zone liquid bridges of low-Pr fluids

Proper orthogonal decomposition (POD) using method of snapshots was performed on three different types of oscillatory Marangoni flows in half-zone liquid bridges of low-Pr fluid (Pr = 0.01). For each oscillation type, a series of characteristic modes (eigenfunctions) have been extracted from the velocity and temperature disturbances, and the POD provided spatial structures of the eigenfunctions, their oscillation frequencies, amplitudes, and phase shifts between them. The present analyses revealed the common features of the characteristic modes for different oscillation modes: four major velocity eigenfunctions captured more than 99% of the velocity fluctuation energy form two pairs, one of which is the most energetic. Different from the velocity disturbance, one of the major temperature eigenfunctions makes the dominant contribution to the temperature fluctuation energy. On the other hand, within the most energetic velocity eigenfuction pair, the two eigenfunctions have similar spatial structures and were tightly coupled to oscillate with the same frequency, and it was determined that the spatial structures and phase shifts of the eigenfunctions produced the different oscillatory disturbances. The interaction of other major modes only enriches the secondary spatio-temporal structures of the oscillatory disturbances. Moreover, the present analyses imply that the oscillatory disturbance, which is hydrodynamic in nature, primarily originates from the interior of the liquid bridge. (C) 2007 Elsevier B.V. All rights reserved.

Robust multiplexed model predictive control

This paper extends the recently developed multiplexed model predictive control (MMPC) concept to ensure satisfaction of hard constraints despite the action of persistent, unknown but bounded disturbances. MMPC uses asynchronous control moves on each input channel instead of synchronised moves on all channels. It offers reduced computation, by dividing the online optimisation into a smaller problem for each channel, and potential performance improvements, as the response to a disturbance is quicker, albeit via only one channel. Robustness to disturbances is introduced using the constraint tightening approach, tailored to suit the asynchronous updates of MMPC and the resulting time-varying optimisations. Numerical results are presented, involving a simple mechanical example and an aircraft control example, showing the potential computational and performance benefits of the new robust MMPC.

Study of the shock motion in a hypersonic shock system turbulent boundary-layer interaction

Wall pressure fluctuations and surface heat transfer signals have been measured in the hypersonic turbulent boundary layer over a number of compression-corner models. The distributions of the separation shock oscillation frequencies and periods have been calculated using a conditional sampling algorithm. In all cases the oscillation frequency distributions are of broad band, but the most probable frequencies are low. The VITA method is used for deducing large scale disturbances at the wall in the incoming boundary layer and the separated flow region. The results at present showed the existence of coherent structures in the two regions. The zero-cross frequencies of the large scale structures in the two regions are of the same order as that of the separation shock oscillation. The average amplitude of the large scale structures in the separated region is much higher than that in the incoming boundary layer. The length scale of the separation shock motion region is found to increase with the disturbance strength. The results show that the shock oscillation is of inherent nature in the shock wave/turbulent boundary layer interaction with separation. The shock oscillation is considered to be the consequence of the coherent structures in the separated region.

On post-instability processes in adiabatic shear in hot rolled steel

EXPERIMENTS carried out using a split Hopkinson torsional bar have shown that only one shear band develops in specimens of hot rolled steel which break during testing. We observed, however, that in specimens which were not deformed to failure, several fine shear bands appeared. We believe that these formed during the loading cycle before the appearance of the final shear band and were not due to the effect of unloading. So we developed a numerical model to study the evolution of shear banding from several finite amplitude disturbances (FADs) in both temperature and strain rate. This numerical model reveals the detailed processes by which the FADs evolve into a fully developed shear band and suggests that beyond instability, the so-called shear banding process consists of two stages: inhomogeneous shearing and true shear-banding. The latter is characterized by the collapse of the stress and an abrupt increase of the local shear strain rate.

Some comments on the stability theory of mhd shock waves

The stability (evolutionarity) problem for a kind of MHD shock waves is discussed in this paper. That is to solve the interaction problem of MHD shock waves with (2-dimensional) oblique incident disturbances. In other words, the result of gasdynamic shocks is generalized to the case of MHD shocks. The previous conclusion of stability theory of MHD shock waves obtained from the solution of interaction problem of MHD shock wave with (one-dimensional) normal shock wave is that only fast and slow shocks are stable, and intermediate shocks are unstable. However, the results of this paper show that when the small disturbances are the Alfven waves a new stability condition which is related to the parameters in front of and behind the shock wave is derived. When the disturbances are entropy wave and fast and slow magneto acoustic waves the stability condition is related to the frequency of small disturbances. As the limiting ease, i. e. when a normal incident (reflection, refraction) is consid...更多ered, the fast and slow shocks are unstable. The results also show that the conclusion drawn by Kontorovich is invalid for the stability theory of shock waves.

Numerical experiments on one-dimensional model of turbulence

The initial-value problem of a forced Burgers equation is numerically solved by the Fourier expansion method. It is found that its solutions finally reach a steady state of 'laminar flow' which has no randomness and is stable to disturbances. Hence, strictly speaking, the so-called Burgers turbulence is not a turbulence. A new one-dimensional model is proposed to simulate the Navier-Stokes turbulence. A series of numerical experiments on this one-dimensional turbulence is made and is successful in obtaining Kolmogorov's (1941) k exp(-5/3) inertial-range spectrum. The (one-dimensional) Kolmogorov constant ranges from 0.5 to 0.65.

Discursos forales y fiscalidad real. Las provincias vascas ante el "crecimiento" de la sal de 1631

[ES]La sustitución de los millones por el crecimiento en el precio de la sal que Felipe IV estableció en 1631 provocó reacciones generalizadas en toda Castilla, y en particular entre las provincias que se hallaban exentas de pagarlos. Son conocidos los violentos disturbios de Vizcaya. En cambio, poco se sabe acerca de lo sucedido en las otras dos Provincias Exentas. El presente artículo analiza, en conjunto, la actitud que tanto Vizcaya como Guipúzcoa y Álava adoptaron ante el nuevo impuesto. Aunque las tres coincidieron en rechazarlo, lo hicieron mediante discursos y métodos bien diferentes. No en vano, lejos de lo que suele pensarse no gozaban de una plena equiparación fiscal ni jurídica.