Adsorption of common solvent molecules on graphene and MoS2_2 from first-principles

Solvents are an essential element in the production and processing of two-dimensional (2D) materials. For example, the liquid phase exfoliation of layered materials requires a solvent to prevent the resulting monolayers from re-aggregating, while solutions of functional atoms and molecules are routinely used to modify the properties of the layers. It is generally assumed that these solvents do not interact strongly with the layer and so their effects can be neglected. Yet experimental evidence has suggested that explicit atomic-scale interactions between the solvent and layered material may play a crucial role in exfoliation and cause unintended electronic changes in the layer. Little is known about the precise nature of the interaction between the solvent molecules and the 2D layer. Here, we use density functional theory calculations to determine the adsorption configuration and binding energy of a variety of common solvent molecules, both polar and non-polar, on two of the most popular 2D materials, namely graphene and MoS$_2$. We show that these molecules are physisorbed on the surface with negligible charge transferred between them. We find that the adsorption strength of the different molecules is independent of the polar nature of the solvent. However, we show the molecules induce a significant charge rearrangement at the interface after adsorption as a result of polar bonds in the molecule.Comment: 8 pages, 6 figure

Effect of age and nutrient restriction pre partum on beef suckler cow serum immunoglobulin concentrations, colostrum yield, composition and immunoglobulin concentration and immune status of their progeny

peer-reviewedThe effect of cow age (multiparous (MP) v. primiparous (PP)) and nutritional restriction pre partum (grass silage ad libitum v. straw only ad libitum for the last 15 (s.d. 3.3) days of gestation) on cow serum immunoglobulin (Ig) concentration, on colostrum yield, composition and Ig concentration and on calf serum Ig concentrations (at ~8 and 48 h post partum) using spring-calving Limousin Holstein-Friesian cows and their progeny was studied over 3 years. The method of colostrum administration (stomach tube vs. assisted suckling within 1 h post partum) on calf immune status was also investigated. When feeding colostrum the target was to give each calf 50 mL per kg birthweight via stomach tube. Colostrum yield and Ig concentration were measured following administration of oxytocin and hand-milking of half (Experiments 1 and 2) or the complete udder (Experiment 3). Following an 8-h period after birth during which suckling was prevented a further colostrum sample was obtained. There was no significant difference in first milking colostrum Ig subclass concentrations between the within-quarter fractions or between the front and rear quarters of the udder in either MP or PP cows. Colostrum Ig subclass concentrations at second milking were 0.46 to 0.65 of that at first milking. Compared to MP cows offered silage, colostrum yield and the mass of colostrum IgG1, IgG2, IgM, IgA and total Ig produced was lower (P < 0.001) for PP cows and the mass of IgG1, IgM and total Ig produced was lower (P < 0.05) for MP cows offered straw. Calves from PP cows and MP cows offered straw had significantly lower serum IgG1 and total Ig concentrations at 48 h post partum than calves from MP cows offered silage but there was no difference (P > 0.05) between colostrum feeding methods. In conclusion, calves from PP cows and MP cows offered straw had a lower humoral immune status than those from MP cows offered grass silage

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

High electrically conductive composites of Polyamide 11 filled with silver nanowires: Nanocomposites processing, mechanical and electrical analysis

Highly conductive composites of silver nanowires and semicrystalline polyamide 11 for different content were prepared. A newmethod was developed to introduce nanowires: a combination of solventway and an extrusion process. This technic provides pellets of composites directly suitable for sample molding. The silver nanowires poured in polyamide 11 were obtained by polyol process to reach large volume of nanowires. The dispersion of nanowires was evaluated by scanning electron microscopy and confirmed by a very lowpercolation threshold around 0.59 vol.%. The level of conductivity above the percolation threshold is about 102 S m−1. Differential scanning calorimetry and dynamic mechanical analyses have shown a stability of the composite physical structure and an optimization of the mechanical properties as a function of nanowires content until 3.6 vol.%. A simultaneous enhancement of the electrical conductivity of polyamide 11 was obtained

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