Simulation of a Single Polymer Chain in Solution by Combining Lattice Boltzmann and Molecular Dynamics

In this paper we establish a new efficient method for simulating polymer-solvent systems which combines a lattice Boltzmann approach for the fluid with a continuum molecular dynamics (MD) model for the polymer chain. The two parts are coupled by a simple dissipative force while the system is driven by stochastic forces added to both the fluid and the polymer. Extensive tests of the new method for the case of a single polymer chain in a solvent are performed. The dynamic and static scaling properties predicted by analytical theory are validated. In this context, the influence of the finite size of the simulation box is discussed. While usually the finite size corrections scale as L^{-1} (L denoting the linear dimension of the box), the decay rate of the Rouse modes is only subject to an L^{-3} finite size effect. Furthermore, the mapping to an existing MD simulation of the same system is done so that all physical input values for the new method can be derived from pure MD simulation. Both methods can thus be compared quantitatively, showing that the new method allows for much larger time steps. Comparison of the results for both methods indicates systematic deviations due to non-perfect match of the static chain conformations.Comment: 17 pages, 12 figures, submitted to J. Chem. Phy

Thermotropic Nematic and Smectic Order in Silica Glass Nanochannels

Optical birefringence measurements on a rod-like liquid crystal (8OCB), imbibed in silica channels (7 nm diameter), are presented and compared to the thermotropic bulk behavior. The orientational and positional order of the confined liquid evolves continuously at the paranematic-to-nematic and sizeably broadened at the nematic-to-smectic order transition, resp., in contrast to the discontinuous and well-defined second-order character of the bulk transitions. A Landau-de-Gennes analysis reveals identical strengths of the nematic and smectic ordering fields (imposed by the walls) and indicates that the smectic order is more affected by quenched disorder (originating in channel tortuosity and roughness) than the nematic transition.Comment: 3 pages, 4 figure

Effect of fumaric acid, calcium formate and mineral levels in diets on the intake and growth performance of newly weaned pigs

peer-reviewedThe weaned pig has limited ability to acidify its stomach contents. The objective of this study (comprising three experiments) was to examine the effect of feeding diets containing fumaric acid (FA), calcium formate (CF) or diets of low acid binding capacity (ABC) on post-weaning pig performance. In all three experiments, pigs (10 per treatment) were weaned at 19 to 24 days, blocked on sex and weight and assigned at random to one of six treatments. In Experiment 1, treatments were: (1) control diet, (2) control 20 g/kg FA, (3) control 15 g/kg CF, (4) low Ca (2.8 g/kg) and P (5.1 g/kg) (LCaP) diet for seven days followed by the control diet, (5) LCaP diet for seven days followed by control 20 g/kg FA, and (6) LCaP diet for seven days followed by control 15 g/kg CF. In Experiment 2, treatments were: (1) control diet, (2) control 20 g/kg FA, (3) control 15 g/kg CF, (4) LCaP diet for 14 days followed by the control diet, (5) LCaP diet for 14 days followed by control 20 g/kg FA, and (6) LCaP diet for seven days followed by control diet. In Experiment 3, treatments were: (1) high Ca (HC) diet (12 g/kg), (2) medium Ca (MC) diet (9 g/kg), (3) low Ca (LC) diet (6 g/kg), (4) HC 20 g/kg FA, (5) MC 20 g/kg FA, and (6) LC 20 g/kg FA. Pigs were individually fed for 26 days. In Experiment 1, CF tended to depress daily feed intake (DFI) in the final two weeks (691 v. 759 and 749, (s.e. 19) g/day, P = 0.07) and overall average daily gain (322 v. 343 and 361 (s.e. 11) g/day, P = 0.09) compared with the control and FA supplemented diets, respectively. Feeding diets with LCaP for seven days post weaning increased DFI (208 v. 178, (s.e. 8) g/day, P < 0.01) in week 1 and tended to improve feed conversion rate in the first two weeks (1.65 v. 1.85, s.e. 0.10, P = 0.09). In Experiment 2, treatment had no significant effect on pig performance but feed conversion rate in weeks three and four was improved for Treatment 5 compared with Treatment 4 (1.30 v. 1.39 (s.e. 0.06) g/g, P < 0.01). In experiment 3, FA increased (P < 0.05) pig weight at day 14 (8.4 v. 7.7 (s.e. 0.2) kg) and feed intake in weeks one and two (223 v. 251, (s.e. 9) g/day). It is concluded that CF did not improve performance but reducing diet ABC or including FA in the diet did improve performance

Knudsen Diffusion in Silicon Nanochannels

Measurements on helium and argon gas flow through an array of parallel, linear channels of 12 nm diameter and 200 micrometer length in a single crystalline silicon membrane reveal a Knudsen diffusion type transport from 10^2 to 10^7 in Knudsen number Kn. The classic scaling prediction for the transport diffusion coefficient on temperature and mass of diffusing species,D_He ~ sqrt(T), is confirmed over a T range from 40 K to 300 K for He and for the ratio of D_He/D_Ar ~ sqrt(m_Ar/m_He). Deviations of the channels from a cylindrical form, resolved with transmission electron microscopy down to subnanometer scales, quantitatively account for a reduced diffusivity as compared to Knudsen diffusion in ideal tubular channels. The membrane permeation experiments are described over 10 orders of magnitude in Kn, encompassing the transition flow regime, by the unified flow model of Beskok and Karniadakis.Comment: 4 pages, 3 figure

Maslov index, Lagrangians, Mapping Class Groups and TQFT

Given a mapping class f of an oriented surface Sigma and a lagrangian lambda in the first homology of Sigma, we define an integer n_{lambda}(f). We use n_{lambda}(f) (mod 4) to describe a universal central extension of the mapping class group of Sigma as an index-four subgroup of the extension constructed from the Maslov index of triples of lagrangian subspaces in the homology of the surface. We give two descriptions of this subgroup. One is topological using surgery, the other is homological and builds on work of Turaev and work of Walker. Some applications to TQFT are discussed. They are based on the fact that our construction allows one to precisely describe how the phase factors that arise in the skein theory approach to TQFT-representations of the mapping class group depend on the choice of a lagrangian on the surface.Comment: 31 pages, 11 Figures. to appear in Forum Mathematicu

Airy beam induced optical routing

We present an all-optical routing scheme based simultaneously on optically induced photonic structures and the Airy beam family. The presented work utilizes these accelerating beams for the demonstration of an all-optical router with individually addressable output channels. In addition, we are able to activate multiple channels at the same time providing us with an optically induced splitter with configurable outputs. The experimental results are corroborated by corresponding numerical simulations

Comet nongravitational forces and meteoritic impacts

We have considered those comets whose original orbits have been determined to be hyperbolic when only planetary perturbations are accounted for. It is found that formally unbound incident trajectories correlate most confidently with orbits that have small perihelion distances and move in a retrograde sense relative to planetary motion. Arguments are presented that these results are not due to measurement error or to selection effects. We conclude that the phenomenon is attributable to enhanced volatility leading to abnormally large nongravitational forces. Since the effect is absent in the prograde small-perihelia population, increased insolation is not the sole explanation. It is suggested that the significance of the retrograde correlation is connected with a larger energy of relative motion between retrograde comets and a population of prograde ecliptic meteoroids which impact the comet mantle exposing the underlying volatiles. The subsequent enhanced outgassing is the cause of the larger nongravitational forces

Transport Properties of a spinon Fermi surface coupled to a U(1) gauge field

With the organic compound $\kappa$-(BEDT-TTF)$_2$-Cu$_2$(CN)$_3$ in mind, we consider a spin liquid system where a spinon Fermi surface is coupled to a U(1) gauge field. Using the non-equilibrium Green's function formalism, we derive the Quantum Boltzmann Equation (QBE) for this system. In this system, however, one cannot a priori assume the existence of Landau quasiparticles. We show that even without this assumption one can still derive a linearized equation for a generalized distribution function. We show that the divergence of the effective mass and of the finite temperature self-energy do not enter these transport coefficients and thus they are well-defined. Moreover, using a variational method, we calculate the temperature dependence of the spin resistivity and thermal conductivity of this system.Comment: 12 page

Association between urinary sodium, creatinine, albumin, and long term survival in chronic kidney disease

Dietary sodium intake is associated with hypertension and cardiovascular risk in the general population. In patients with chronic kidney disease, sodium intake has been associated with progressive renal disease, but not independently of proteinuria. We studied the relationship between urinary sodium excretion and urinary sodium:creatinine ratio and mortality or requirement for renal replacement therapy in chronic kidney disease. Adults attending a renal clinic who had at least one 24-hour urinary sodium measurement were identified. 24-hour urinary sodium measures were collected and urinary sodium:creatinine ratio calculated. Time to renal replacement therapy or death was recorded. 423 patients were identified with mean estimated glomerular filtration rate of 48ml/min/1.73m&lt;sup&gt;2&lt;/sup&gt;. 90 patients required renal replacement therapy and 102 patients died. Mean slope decline in estimated glomerular filtration rate was -2.8ml/min/1.73m&lt;sup&gt;2&lt;/sup&gt;/year. Median follow-up was 8.5 years. Patients who died or required renal replacement therapy had significantly higher urinary sodium excretion and urinary sodium:creatinine but the association with these parameters and poor outcome was not independent of renal function, age and albuminuria. When stratified by albuminuria, urinary sodium:creatinine was a significant cumulative additional risk for mortality, even in patients with low level albuminuria. There was no association between low urinary sodium and risk, as observed in some studies. This study demonstrates an association between urinary sodium excretion and mortality in chronic kidney disease, with a cumulative relationship between sodium excretion, albuminuria and reduced survival. These data support reducing dietary sodium intake in chronic kidney disease but further study is required to determine the target sodium intake

Production and carcass traits of high dairy genetic merit Holstein, standard dairy genetic merit Friesian and Charolais × Holstein-Friesian male cattle

peer-reviewedThe increased proportion of Holstein genetic material in the dairy herd has consequences for beef production in Ireland. A total of 72 spring-born male calves (24 Holsteins (HO), 24 Friesian (FR) and 24 Charolais × Holstein-Friesians (CH)) were reared from calfhood to slaughter. Calves were artificially reared indoors and spent their first summer at pasture following which they were assigned, on a breed basis, to a factorial combination of two production systems (intensive 19-month bull beef and extensive 25-month steer beef) and two slaughter weights (560 and 650 kg). After slaughter the pistola hind quarter was separated into fat, bone and muscle. Live-weight gain, carcass gain, kill-out proportion, carcass conformation and carcass fat scores were 830, 811 and 859 (s.e. 14.9) g/day, 540, 533, 585 (s.e. 7.7) g/day, 526, 538 and 561 (s.e. 3.0) g/kg, 1.51, 2.18 and 2.96 (s.e. 0.085), and 3.40, 4.25 and 4.06 (s.e. 0.104) for HO, FR and CH, respectively. Corresponding values for pistola weight as a proportion of carcass weight, pistola muscle proportion and pistola fat proportion were 458, 459 and 461 (s.e. 2.6) g/kg, 657, 645 and 667 (s.e. 3.7) g/kg, and 132, 161 and 145 (s.e. 4.1) g/kg. Compared with the intensive system, animals on the extensive system had a lower (P < 0.001) daily live-weight gain, kill-out proportion and a lower muscle proportion in the pistola. Increasing slaughter weight increased (P < 0.001) carcass weight and carcass fat score and reduced the proportion of muscle in the pistola. Allometric regression coefficients for pistola weight on side weight, and total bone, muscle and fat weights on pistola weight were 0.898, 0.755, 0.900 and 1.910 respectively. It is concluded that HO grew at least as fast as FR but had a lower killout proportion. Carcass conformation and fat scores were greater for FR than for HO and muscle proportion in the pistola was lower and total fat proportion was higher. Compared with FR, CH had heavier carcasses, a higher kill-out proportion and less fat and more muscle in the pistola