Studies on tableting properties of lactose. Part III. The consolidation behaviour of sieve fractions of crystalline a-lactose\ud monohydrate

The consolidation and compaction behaviour of sieve fractions of crystalline α-lactose monohydrate were studied. From mercury porosimetry measurements tablet pore surface areas were derived. At a certain compaction load it appeared that tablets compressed from small particles were generally stronger and showed a larger surface area than compacts prepared from coarse sieve fractions. By plotting compact strength against pore surface area, a unique linear relationship was obtained. From these results it can be concluded that the actual tablet surface area, being a function of both the initial particle size and applied compaction pressure, is responsible for the compact strength

Denitrification and the denitrifier community in coastal microbial mats

Denitrification was measured in three structurally different coastal microbial mats by using the stable isotope technique. The composition of the denitrifying community was determined by analyzing the nitrite reductase (nirS and nirK) genes using clone libraries and the GeoChip. The highest potential rate of denitrification (7.0 ± 1.0 mmol N m-2 d-1) was observed during summer at station 1 (supra-littoral). The rates of denitrification were much lower in the stations 2 (marine) and 3 (intermediate) (respectively 0.1 ± 0.05 and 0.7 ± 0.2 mmol N m-2 d-1) and showed less seasonality when compared to station 1. The denitrifying community at station 1 was also more diverse than that at station 2 and 3, which were more similar to each other than either of these stations to station 1. In all three stations, the diversity of both nirS and nirK denitrifiers was higher in summer when compared to winter. The location along the tidal gradient seems to determine the composition, diversity and activity of the denitrifier community, which may be driven by salinity, nitrate/nitrite and organic carbon. Both nirS and nirK denitrifiers are equally present and therefore they are likely to play a role in the denitrification of the microbial mats studied

Nitrification and Nitrifying Bacteria in a Coastal Microbial Mat

The first step of nitrification, the oxidation of ammonia to nitrite, can be performed by ammonia-oxidizing archaea (AOA) or ammonium-oxidizing bacteria (AOB). We investigated the presence of these two groups in three structurally different types of coastal microbial mats that develop along the tidal gradient on the North Sea beach of the Dutch barrier island Schiermonnikoog. The abundance and transcription of amoA, a gene encoding for the alpha subunit of ammonia monooxygenase that is present in both AOA and AOB, were assessed and the potential nitrification rates in these mats were measured. The potential nitrification rates in the three mat types were highest in autumn and lowest in summer. AOB and AOA arnoA genes were present in all three mat types. The composition of the AOA and AOB communities in the mats of the tidal and intertidal stations, based on the diversity of arnoA, were similar and clustered separately from the supratidal microbial mat. In all three mats AOB amoA genes were significantly more abundant than AOA amoA genes. The abundance of neither AOB nor AOA amoA genes correlated with the potential nitrification rates, but AOB amoA transcripts were positively correlated with the potential nitrification rate. The composition and abundance of amoA genes seemed to be partly driven by salinity, ammonium, temperature, and the nitrate/nitrite concentration. We conclude that AOB are responsible for the bulk of the ammonium oxidation in these coastal microbial mat

Effects of fermentable starch and straw-enriched housing on energy partitioning of growing pigs

Both dietary fermentable carbohydrates and the availability of straw bedding potentially affect activity patterns and energy utilisation in pigs. The present study aimed to investigate the combined effects of straw bedding and fermentable carbohydrates (native potato starch) on energy partitioning in growing pigs. In a 2 × 2 factorial arrangement, 16 groups of 12 pigs (approximately 25 kg) were assigned to either barren housing or housing on straw bedding, and to native or pregelatinised potato starch included in the diet. Pigs were fed at approximately 2.5 times maintenance. Nitrogen and energy balances were measured per group during a 7-day experimental period, which was preceded by a 30-day adaptation period. Heat production and physical activity were measured during 9-min intervals. The availability of straw bedding increased both metabolisable energy (ME) intake and total heat production (P <0.001). Housing conditions did not affect total energy retention, but pigs on straw bedding retained more energy as protein (P <0.01) and less as fat (P <0.05) than barren-housed pigs. Average daily gain (P <0.001), ME intake (P <0.001) and energy retention (P <0.01) were lower in pigs on the native potato starch diet compared to those on the pregelatinised potato starch diet. Pigs on the pregelatinised potato starch diet showed larger fluctuations in heat production and respiration quotient over the 24-h cycle than pigs on the native potato starch diet, and a higher activity-related energy expenditure. The effect of dietary starch type on activity-related heat production depended, however, on housing type (P <0.05). In barren housing, activity-related heat production was less affected by starch type (16.1% and 13.7% of total heat production on the pregelatinised and native potato starch diet, respectively) than in straw-enriched housing (21.1% and 15.0% of the total heat production on the pregelatinised and native potato starch diet, respectively). In conclusion, the present study shows that the availability both of straw bedding and of dietary starch type, fermentable or digestible, affects energy utilisation and physical activity of pigs. The effects of housing condition on protein and fat deposition suggest that environmental enrichment with long straw may result in leaner pigs. The lower energy expenditure on the physical activity of pigs on the native potato starch diet, which was the most obvious in straw-housed pigs, likely reflects a decrease in foraging behaviour related to a more gradual supply of energy from fermentation processes

Extended Wertheim theory predicts the anomalous chain length distributions of divalent patchy particles under extreme confinement

Colloidal patchy particles with divalent attractive interaction can self-assemble into linear polymer chains. Their equilibrium properties in 2D and 3D are well described by Wertheim's thermodynamic perturbation theory which predicts a well-defined exponentially decaying equilibrium chain length distribution. In experimental realizations, due to gravity, particles sediment to the bottom of the suspension forming a monolayer of particles with a gravitational height smaller than the particle diameter. In accordance with experiments, an anomalously high monomer concentration is observed in simulations which is not well understood. To account for this observation, we interpret the polymerization as taking place in a highly confined quasi-2D plane and extend the Wertheim thermodynamic perturbation theory by defining addition reactions constants as functions of the chain length. We derive the theory, test it on simple square well potentials, and apply it to the experimental case of synthetic colloidal patchy particles immersed in a binary liquid mixture that are described by an accurate effective critical Casimir patchy particle potential. The important interaction parameters entering the theory are explicitly computed using the integral method in combination with Monte Carlo sampling. Without any adjustable parameter, the predictions of the chain length distribution are in excellent agreement with explicit simulations of self-assembling particles. We discuss generality of the approach, and its application range.Comment: The following article has been submitted to The Journal of Chemical Physic

Molecular Free Energies, Rates, and Mechanisms from Data-Efficient Path Sampling Simulations

Molecular dynamics is a powerful tool for studying the thermodynamics and kinetics of complex molecular events. However, these simulations can rarely sample the required time scales in practice. Transition path sampling overcomes this limitation by collecting unbiased trajectories and capturing the relevant events. Moreover, the integration of machine learning can boost the sampling while simultaneously learning a quantitative representation of the mechanism. Still, the resulting trajectories are by construction non-Boltzmann-distributed, preventing the calculation of free energies and rates. We developed an algorithm to approximate the equilibrium path ensemble from machine-learning-guided path sampling data. At the same time, our algorithm provides efficient sampling, mechanism, free energy, and rates of rare molecular events at a very moderate computational cost. We tested the method on the folding of the mini-protein chignolin. Our algorithm is straightforward and data-efficient, opening the door to applications in many challenging molecular systems

The Asakura-Oosawa model in the protein limit: the role of many-body interactions

We study the Asakura-Oosawa model in the "protein limit", where the penetrable sphere radius $R_{AO}$ is much greater than the hard sphere radius $R_c$. The phase behaviour and structure calculated with a full many-body treatment show important qualitative differences when compared to a description based on pair potentials alone. The overall effect of the many-body interactions is repulsive.Comment: 9 pages and 11 figures, submitted to J. Phys.: Condensed Matter, special issue "Effective many-body interactions and correlations in soft matter