Nonequilibrium solutions of the Boltzmann equation under the action of an external force.

We construct a novel class of exact solutions to the Boltzmann equation, in both its classical and quantum formulation, for arbitrary collision laws. When the system is subjected to a specific external forcing, the precise form of which is worked out, nonequilibrium dampingless solutions are admissible. They do not contradict the H theorem, but are constructed from its requirements. Interestingly, these solutions hold for time-dependent confinement. We exploit them, in a reverse-engineering perspective, to work out a protocol that shortcuts any adiabatic transformation between two equilibrium states in an arbitrarily short time span, for an interacting system. Particle simulations of the direct Monte Carlo type fully corroborate the analytical predictions.

Optimizing the Properties of Hybrids Based on Graphene Oxide for Carbon Dioxide Capture.

The reduction of CO2 emissions and its elimination from the atmosphere has become one of the major problems worldwide, since CO2 is the main cause of the greenhouse effect and climate change. In recent years, a great number of carbonaceous materials that can be used as CO2 adsorbents have been synthesized. The strategy is usually to synthesize the materials and determine their adsorption capacity without studying previously the factors that influence this capacity. In this work, different properties of the adsorbents are analyzed to study their influence on the CO2 adsorption capacity. For this purpose, 10 adsorbents have been synthesized using different strategies and characterized with X-ray photoelectron spectroscopy, X-ray diffraction, and micro-Raman spectroscopy. The percentage of sp2 carbons, the position of the D + D' peak of the second-order Raman spectrum, the micropore volume, and the grain size of the C sp2 domains have been related to the amount of CO2 adsorbed by the adsorbents. The results confirm a linear relationship between the volume of the micropores and the CO2 uptake and it proves that CO2 retention is favored in those materials that, in addition to having a high volume of micropores, also have low grain size of C.

Vibrated granular gas confined by a piston.

The steady state of a vibrated granular gas confined by a movable piston on top is discussed. Particular attention is given to the hydrodynamic boundary conditions to be used when solving the inelastic Navier-Stokes equations. The relevance of an exact general condition relating the grain fluxes approaching and moving away from each of the walls is emphasized. It is shown how it can be used to get a consistent hydrodynamic description of the boundaries. The obtained expressions for the fields do not contain any undetermined parameter. Comparison of the theoretical predictions with molecular-dynamics simulation results is carried out, and a good agreement is observed for low density and not too large inelasticity. A practical way of introducing small finite density corrections to the dilute limit theory is proposed to improve the accuracy of the theory.

Shear state of freely evolving granular gases.

Hydrodynamic equations are used to identify the final state reached by a freely evolving granular gas above but close to its shear instability. The theory predicts the formation of a two bands shear state with a steady density profile. There is a modulation between temperature and density profiles as a consequence of the energy balance, the density fluctuations remaining small, without producing clustering. Moreover, the time dependence of the velocity field can be scaled out with the squared root of the average temperature of the system. The latter follows the Haff law, but with an effective cooling rate that is smaller than that of the free homogeneous state. The theoretical predictions are compared with numerical results for inelastic hard disks obtained by using the direct Monte Carlo simulation method, and a good agreement is obtained for low inelasticity.

Hydrodynamic profiles for an impurity in an open vibrated granular gas.

The hydrodynamic state of an impurity immersed in a low density granular gas is analyzed. Explicit expressions for the temperature and density fields of the impurity in terms of the hydrodynamic fields of the gas are derived. It is shown that the ratio between the temperatures of the two components, measuring the departure from the energy equipartition, only depends on the mechanical properties of the particles, being therefore constant in the bulk of the system. This ratio plays an important role in determining the density profile of the intruder and its position with respect to the gas, since it determines the sign of the pressure diffusion coefficient. The theoretical predictions are compared with molecular dynamics simulation results for the particular case of the steady state of an open vibrated granular system in the absence of macroscopic fluxes, and a satisfactory agreement is found.

Anomalous self-diffusion in a freely evolving granular gas near the shearing instability.

The self-diffusion coefficient of a granular gas in the homogeneous cooling state is analyzed near the shearing instability. Using mode-coupling theory, it is shown that the coefficient diverges logarithmically as the instability is approached, due to the coupling of the diffusion process with the shear modes. The divergent behavior, which is peculiar in granular gases and disappears in the elastic limit, does not depend on any other transport coefficient. The theoretical prediction is confirmed by molecular dynamics simulation results for two-dimensional systems.

Power-law decay of the velocity autocorrelation function of a granular fluid in the homogeneous cooling state.

The hydrodynamic part of the velocity autocorrelation function of a granular fluid in the homogeneous cooling state has been calculated by using mode-coupling theory for a finite system with periodic boundary conditions. The existence of the shearing instability, leading to a divergent behavior of the velocity flow fluctuations, is taken into account. A time region in which the velocity autocorrelation function exhibits a power-law decay, when time is measured by the number of collisions per particle, has been been identified. Also the explicit form of the exponential asymptotic long time decay has been obtained. The theoretical prediction for the power-law decay is compared with molecular dynamics simulation results, and a good agreement is found, after taking into account finite size corrections. The effects of approaching the shearing instability are also explored.

Immunosuppression-Independent Role of Regulatory T Cells against Hypertension-Driven Renal Dysfunctions.

Hypertension-associated cardiorenal diseases represent one of the heaviest burdens for current health systems. In addition to hemodynamic damage, recent results have revealed that hematopoietic cells contribute to the development of these diseases by generating proinflammatory and profibrotic environments in the heart and kidney. However, the cell subtypes involved remain poorly characterized. Here we report that CD39(+) regulatory T (TREG) cells utilize an immunosuppression-independent mechanism to counteract renal and possibly cardiac damage during angiotensin II (AngII)-dependent hypertension. This mechanism relies on the direct apoptosis of tissue-resident neutrophils by the ecto-ATP diphosphohydrolase activity of CD39. In agreement with this, experimental and genetic alterations in TREG/TH cell ratios have a direct impact on tissue-resident neutrophil numbers, cardiomyocyte hypertrophy, cardiorenal fibrosis, and, to a lesser extent, arterial pressure elevation during AngII-driven hypertension. These results indicate that TREG cells constitute a first protective barrier against hypertension-driven tissue fibrosis and, in addition, suggest new therapeutic avenues to prevent hypertension-linked cardiorenal diseases.

JB-9322, a new selective histamine H2-receptor antagonist with potent gastric mucosal protective properties.

1. JB-9322 is a selective histamine H2-receptor antagonist with gastric antisecretory activity and mucosal protective properties. 2. The affinity of JB-9322 for the guinea-pig atria histamine H2-receptor was approximately 2 times greater than that of ranitidine. 3. In vivo, the ID50 value for the inhibition of gastric acid secretion in pylorus-ligated rats was 5.28 mg kg-1 intraperitoneally. JB-9322 also dose-dependently inhibited gastric juice volume and pepsin secretion. In gastric lumen-perfused rats, intravenous injection of JB-9322 dose-dependently reduced histamine-, pentagastrin- and carbachol-stimulated gastric acid secretion. 4. JB-9322 showed antiulcer activity against aspirin and indomethacin-induced gastric lesions and was more potent than ranitidine. 5. JB-9322 effectively inhibited macroscopic gastric haemorrhagic lesions induced by ethanol. Intraperitoneal injection was effective in preventing the lesions as well as oral treatment. The oral ID50 value for these lesions was 1.33 mg kg-1. By contrast, ranitidine (50 mg kg-1) failed to reduce these lesions. In addition, the protective effect of JB-9322 was independent of prostaglandin synthesis. 6. These results indicate that JB-9322 is a new antiulcer drug that exerts a potent cytoprotective effect in addition to its gastric antisecretory activity.

Presynaptic beta-adrenoceptors in rat atria: evidence for the presence of stereoselective beta 1-adrenoceptors.

1. Presynaptic beta-adrenoceptor activity was studied in rat isolated atria, previously loaded with [3H]-noradrenaline. The stimulation-induced release of 3H transmitter was measured in the presence of cocaine, and adrenaline was used as a facilitatory beta-adrenoceptor agonist. 2. Adrenaline (0.1 and 2 nM) increased, by about 50%, the evoked efflux of tritium. With phenoxybenzamine present, the same activity was shown with 10 nM adrenaline. 3. The beta 2-selective adrenoceptor blocking drugs: IPS 339 and ICI 118 551 caused a concentration-dependent decrease in the activity of adrenaline. Cardioselective beta-blocking drugs: acebutolol, beta-xolol, nebivolol and its isomers (R 67 138 and R 67 145) also reduced dose-dependently the agonistic action of adrenaline. The order of potency for nebivolol and its isomers was R 67 138 greater than nebivolol greater than R 67 145. The activity of pindolol was not concentration-dependent. The inhibitory effect of acebutolol was also observed in the presence of blockade of alpha-adrenoceptors. 4. The postsynaptic beta-adrenoceptor blocking activity of nebivolol and its isomers was studied in pithed rats. They reduced isoprenaline-induced tachycardia without altering hypotensive responses. The order of potency was: R 67 138 greater than nebivolol greater than R 67 145. 5. It is concluded that in rat isolated atria, presynaptic beta 2- and beta 1-adrenoceptors coexist and that facilitatory beta 1-adrenoceptors are stereospecific.

Mg,Al layered double hydroxides with intercalated indomethacin: synthesis, characterization, and pharmacological study.

Magnesium aluminium layered double hydroxides (LDH) with a molar Mg/Al ratio of 2.0 have been prepared with intercalated indomethacin following two routes: reconstruction from a previously calcined Mg(2)Al-CO(3) LDH, and coprecipitation from the corresponding chlorides. The solids have been characterized by powder X-ray diffraction, FTIR, and (13)C CP/MAS NMR spectroscopies and thermal stability (differential thermal analysis and thermogravimetric analysis). Intercalation of the drug is attained by both routes; however, while coprecipitation leads to a single layered structure, contamination with another layered MgAl-CO(3) phase occurs by the reconstruction method. The amount of drug intercalated, as well as the height of the gallery, are larger by the coprecipitation than by the reconstruction one. The data obtained support a somewhat tilted, upwards orientation of the drug molecules forming an interdigited bilayer, in the case of the sample prepared by coprecipitation, with the carboxylate groups pointing towards the hydroxyl layers. However, in the case of the sample prepared by reconstruction, the molecules are forming a tilted, upwards monolayer. The solids prepared are stable up to 250 degrees C. Pharmacological studies in vivo show that intercalation of the drug in the LDH reduces the ulcerating damage of the drug.

Velocity distribution of fluidized granular gases in the presence of gravity.

The velocity distribution of a fluidized dilute granular gas in the direction perpendicular to the gravitational field is investigated by means of molecular dynamics simulations. The results indicate that the velocity distribution can be exactly described neither by a Gaussian nor by a stretched exponential law. Moreover, it does not exhibit any kind of scaling. In fact, the actual shape of the distribution depends on the number of monolayers at rest, on the restitution coefficient and on the height at what it is measured. The role played by the number of particle-particle collisions as compared with the number of particle-wall collisions is discussed.

Simulation study of the Green-Kubo relations for dilute granular gases.

The Green-Kubo relations for dilute granular gases are employed to compute their transport coefficients by means of the direct simulation Monte Carlo method. This requires not only to follow the dynamics of the system, but also to identify some modified fluxes appearing in the time-correlation functions. The results are compared with those obtained from the Boltzmann equation by means of the Chapman-Enskog procedure in the first Sonine approximation. A good agreement is found for the shear viscosity over a wide range of inelasticities. Nevertheless, for the two transport coefficients associated with the heat flux, significant discrepancies appear for strong inelasticity. Their origin is discussed, showing that they are partially due to the presence of velocity correlations in the homogeneous cooling state of a dilute granular fluid.

Validity of the Boltzmann equation to describe low-density granular systems.

The departure of a granular gas in the instable region of parameters from the initial homogeneous cooling state is studied. Results from molecular dynamics and from direct Monte Carlo simulation of the Boltzmann equation are compared. The results indicate that the Boltzmann equation accurately predicts the low-density limit of the system. The relevant role played by the parallelization of the velocities as time proceeds and the dependence of this effect on the density is analyzed in detail.

Steady-state representation of the homogeneous cooling state of a granular gas.

The properties of a dilute granular gas in the homogeneous cooling state are mapped to those of a stationary state by means of a change in the time scale that does not involve any internal property of the system. The new representation is closely related with a general property of the granular temperature in the long time limit. The physical and practical implications of the mapping are discussed. In particular, simulation results obtained by the direct simulation Monte Carlo method applied to the scaled dynamics are reported. This includes ensemble averages and also the velocity autocorrelation function, as well as the self-diffusion coefficient obtained from the latter by means of the Green-Kubo representation. In all cases, the obtained results are compared with theoretical predictions.

Hydrodynamics of an open vibrated granular system.

Using the hydrodynamic description and molecular dynamics simulations, the steady state of a fluidized granular system in the presence of gravity is studied. For an open system, the density profile exhibits a maximum, while the temperature profile goes through a minimum at high altitude, beyond that the temperature increases with the height. The existence of the minimum is explained by the hydrodynamic equations if the presence of a collisionless boundary layer is taken into account. The energy dissipated by interparticle collisions is also computed. A good agreement is found between theory and simulation. The relationship with previous works is discussed.

Energy fluctuations in the homogeneous cooling state of granular gases.

Starting from the hierarchy of equations for microscopic densities in phase space, a general theory for fluctuations and correlations in a dilute granular gas of hard particles is developed. Then, the particular case of the homogeneous cooling state is addressed. Explicit expressions for some distributions describing the presence of velocity correlations and their dynamics are obtained. These correlations are inherent to the dissipative dynamics of the collisions. The implications for the behavior of the total energy of the system are analyzed and the results are expressed in terms of a fluctuation-dissipation theorem. The theoretical predictions are shown to be in agreement with results obtained by molecular dynamics simulations, which also indicate that energy fluctuations are well described by a Gaussian distribution.

Transversal inhomogeneities in dilute vibrofluidized granular fluids.

The spontaneous symmetry breaking taking place in the direction perpendicular to the energy flux in a dilute vibrofluidized granular system is investigated, using both a hydrodynamic description and simulation methods. The latter include molecular dynamics and direct Monte Carlo simulation of the Boltzmann equation. A marginal stability analysis of the hydrodynamic equations, carried out in the WKB approximation, is shown to be in good agreement with the simulation results. The shape of the hydrodynamic profiles beyond the bifurcation is discussed.

Hydrodynamic Maxwell demon in granular systems.

Spontaneous symmetry breaking in a vibrated system confined into two connected compartments in the absence of external fields is reported. For a small number of particles, the grains are equipartitioned, but if it is increased beyond a critical value, the number of particles in each of the compartments becomes different in the steady state, and the number of particles in one of the compartments decreases monotonically tending to a given value. This phase transition is accurately described by the hydrodynamic equations for a granular gas. The relationship with previous phenomena of phase separation in vibrofluidized granular materials is discussed.

Uterine inhibitory effect of reticuline.

Reticuline, the most abundant benzylisoquinoleic alkaloid of Laurobasidium lauri, exerts a uterine inhibitory effect mainly related to a decrease in the concentration of cytosolic calcium available for contraction.