Force calculation on walls and embedded particles in multiparticle collision dynamics simulations

Colloidal solutions posses a wide range of time and length scales, so that it is unfeasible to keep track of all of them within a single simulation. As a consequence some form of coarse-graining must be applied. In this work we use the Multi-Particle Collision Dynamics scheme. We describe a particular implementation of no-slip boundary conditions upon a solid surface, capable of providing correct force s on the solid bypassing the calculation of the velocity profile or the stre ss tensor in the fluid near the surface. As an application we measure the friction on a spherical particle, when it is placed in a bulk fluid and when it is confined in a slit. We show that the implementation of the no-slip boundary conditions leads to an enhanced Ensko g friction, which can be understood analytically. Because of the long-range nature of hydrodynamic interactions, the Stokes friction obtained from the simulations is sensitive of the simulation box size. We address this topic for the slit geometry, showing that that the dependence on the system size differs very much from what is expected in a 3D system, where periodic boundary conditions are used in all directions.Comment: To appear in Physical Review

Mode-coupling theory predictions for a limited valency attractive square-well model

Recently we have studied, using numerical simulations, a limited valency model, i.e. an attractive square well model with a constraint on the maximum number of bonded neighbors. Studying a large region of temperatures $T$ and packing fractions $\phi$, we have estimated the location of the liquid-gas phase separation spinodal and the loci of dynamic arrest, where the system is trapped in a disordered non-ergodic state. Two distinct arrest lines for the system are present in the system: a {\it (repulsive) glass} line at high packing fraction, and a {\it gel} line at low $\phi$ and $T$. The former is essentially vertical ($\phi$-controlled), while the latter is rather horizontal ($T$-controlled) in the $(\phi-T)$ plane. We here complement the molecular dynamics results with mode coupling theory calculations, using the numerical structure factors as input. We find that the theory predicts a repulsive glass line -- in satisfactory agreement with the simulation results -- and an attractive glass line which appears to be unrelated to the gel line.Comment: 12 pages, 6 figures. To appear in J. Phys. Condens. Matter, special issue: "Topics in Application of Scattering Methods for Investigation of Structure and Dynamics of Soft Condensed Matter", Fiesole, November 200

Fluid-fluid demixing transitions in colloid--polyelectrolyte star mixtures

We derive effective interaction potentials between hard, spherical colloidal particles and star-branched polyelectrolytes of various functionalities and smaller size than the colloids. The effective interactions are based on a Derjaguin-like approximation, which is based on previously derived potentials acting between polyelectrolyte stars and planar walls. On the basis of these interactions we subsequently calculate the demixing binodals of the binary colloid--polyelectrolyte star mixture, employing standard tools from liquid-state theory. We find that the mixture is indeed unstable at moderately high overall concentrations. The system becomes more unstable with respect to demixing as the star functionality and the size ratio grow.Comment: 24 pages, 9 figures, submitted to Journal of Physics: Condensed Matte

Sex-mediated changes in foraging behaviour according to breeding stage in a monomorphic seabird adapted to rural habitats

In contrast to sexually size-dimorphic species, monomorphic ones rarely show sexual differences in foraging behaviour as such variations have been primarily attributed to dissimilar body size. To investigate this aspect, we analysed foraging behaviour in breeding gull-billed terns, Gelochelidon nilotica, a monomorphic seabird adapted to rural habitats. We equipped 19 breeding birds with GPS devices and assessed differences in foraging behaviour and habitat use according to sex and breeding stage. Foraging trip distance and duration and daily frequencies were influenced by both breeding stage and sex, with females, but not males, performing closer, more frequent and shorter duration trips during chick rearing than incubation. Females, but not males, increased the repeatability of foraging metrics from incubation to chick rearing, while both sexes increased individual foraging site fidelity between the two breeding stages. Agricultural fields were the most exploited habitat for both sexes, but females made more use of aquatic habitats than males, especially during chick rearing. By foraging in different ways and in different habitats, the breeding pair can provide a wider range of prey types to their offspring, maximizing the chances of delivering high quantity and quality of food items under different environmental conditions. Our work provides new additional evidence of sex differences in foraging behaviour of monomorphic species, while highlighting the need to better understand underlying mechanisms driving foraging niche divergence and the consequences for fitness

Theranostics in Boron neutron capture therapy

Boron neutron capture therapy (BNCT) has the potential to specifically destroy tumor cells without damaging the tissues infiltrated by the tumor. BNCT is a binary treatment method based on the combination of two agents that have no effect when applied individually:10B and thermal neutrons. Exclusively, the combination of both produces an effect, whose extent depends on the amount of10B in the tumor but also on the organs at risk. It is not yet possible to determine the10B concentration in a specific tissue using non-invasive methods. At present, it is only possible to measure the10B concentration in blood and to estimate the boron concentration in tissues based on the assumption that there is a fixed uptake of10B from the blood into tissues. On this imprecise assumption, BNCT can hardly be developed further. A therapeutic approach, combining the boron carrier for therapeutic purposes with an imaging tool, might allow us to determine the10B concentration in a specific tissue using a non-invasive method. This review provides an overview of the current clinical protocols and preclinical experiments and results on how innovative drug development for boron delivery systems can also incorporate concurrent imaging. The last section focuses on the importance of proteomics for further optimization of BNCT, a highly precise and personalized therapeutic approach

Altered umbilical cord blood nutrient levels, placental cell turnover and transporter expression in human term pregnancies conceived by intracytoplasmic sperm injection (Icsi)

Assisted reproductive technologies (ART) may increase risk for abnormal placental development, preterm delivery and low birthweight. We investigated placental morphology, transporter expression and paired maternal/umbilical fasting blood nutrient levels in human term pregnancies conceived naturally (n = 10) or by intracytoplasmic sperm injection (ICSI; n = 11). Maternal and umbilical vein blood from singleton term (>37 weeks) C-section pregnancies were assessed for levels of free amino acids, glucose, free fatty acids (FFA), cholesterol, high density lipoprotein (HDL), low density lipoprotein (LDL), very low-density lipoprotein (VLDL) and triglycerides. We quantified placental expression of GLUT1 (glucose), SNAT2 (amino acids), P-glycoprotein (P-gp) and breast cancer resistance protein (BCRP) (drug) transporters, and placental morphology and pathology. Following ICSI, placental SNAT2 protein expression was downregulated and umbilical cord blood levels of citrulline were increased, while FFA levels were decreased at term (p < 0.05). Placental proliferation and apoptotic rates were increased in ICSI placentae (p < 0.05). No changes in maternal blood nutrient levels, placental GLUT1, P-gp and BCRP expression, or placental histopathology were observed. In term pregnancies, ICSI impairs placental SNAT2 transporter expression and cell turnover, and alters umbilical vein levels of specific nutrients without changing placental morphology. These may represent mechanisms through which ICSI impacts pregnancy outcomes and programs disease risk trajectories in offspring across the life course

Finding the essential : improving conservation monitoring across scales

To account for progress towards conservation targets, monitoring systems should capture not only information on biodiversity but also knowledge on the dynamics of ecological processes and the related effects on human well-being. Protected areas represent complex social-ecological systems with strong human-nature interactions. They are able to provide relevant information about how global and local scale drivers (e.g., climate change, land use change) impact biodiversity and ecosystem services. Here we develop a framework that uses an ecosystem-focused approach to support managers in identifying essential variables in an integrated and scalable approach. We advocate that this approach can complement current essential variable developments, by allowing conservation managers to draw on system-level knowledge and theory of biodiversity and ecosystems to identify locally important variables that meet the local or sub-global needs for conservation data. This requires the development of system narratives and causal diagrams that pinpoints the social-ecological variables that represent the state and drivers of the different components, and their relationships. We describe a scalable framework that builds on system based narratives to describe all system components, the models used to represent them and the data needed. Considering the global distribution of protected areas, with an investment in standards, transparency, and on active data mobilisation strategies for essential variables, these have the potential to be the backbone of global biodiversity monitoring, benefiting countries, biodiversity observation networks and the global biodiversity community

[Sacerdotes] [Material gráfico]

Contiene fotografías pertenecientes al archivo fotográfico del diario "Región", publicadas entre 1969 y 1983Algunas fotos no indican autoría; el resto firmadas por Foto Imperio (Miranda de Ebro), Foto Pipo, Studios Zapico (Mieres), Estudio Fotográfico Hnos. Esteban (Moreda), Información Gráfica Sierra (Oviedo), Foto Riera (Lada), Salvador Hevia (Oviedo), Foto E. Gar (Oviedo), EF

Dysregulation of placental ABC transporters in a murine model of malaria-induced preterm labor

Malaria in Pregnancy (MiP) is characterized by placental accumulation of Plasmodium-infected erythrocytes, intrauterine growth restriction (IUGR) and preterm delivery (PTD). Placental ATP-binding cassette (ABC) transporters mediate the efflux of nutrients, cytokines and xenobiotics. The expression and activity of these transporters are highly responsive to infection. We hypothesized that MiP would perturb the expression of placental ABC transporters, promoting PTD. Peripheral blood, spleens, livers and placentas of pregnant mice, infected with Plasmodium berghei ANKA on gestational day (GD) 13.5, were collected and analyzed on GD18.5. The primary consequences of human MiP, including IUGR, PTD (20%) and placental inflammation, were recapitulated in our mouse model. Electron microscopy revealed attenuated presence of labyrinthine microvilli and dilated spongiotrophoblasts -granular endoplasmic reticulum cisternae. Additionally, a decrease in placental Abca1 (ABCA1), Abcb1b (P-glycoprotein), Abcb9 and Abcg2 (BCRP) expression was observed in MiP mice. In conclusion, MiP associated with PTD impairs placental ABC transporters’ expression, potentially modulating placental nutrient, environmental toxin and xenobiotic biodistribution within the fetal compartment, and may, at some degree, be involved with pregnancy outcome in MiP

Local hyperthyroidism promotes pancreatic acinar cell proliferation during acute pancreatitis

Proliferation of pancreatic acinar cells is a critical process in the pathophysiology of pancreatic diseases, because limited or defective proliferation is associated with organ dysfunction and patient morbidity. In this context, elucidating the signalling pathways that trigger and sustain acinar proliferation is pivotal to develop therapeutic interventions promoting the regenerative process of the organ.In this study we used genetic and pharmacological approaches to manipulate both local and systemic levels of thyroid hormones to elucidate their role in acinar proliferation following caerulein‐mediated acute pancreatitis in mice. In addition, molecular mechanisms mediating the effects of thyroid hormones were identified by genetic and pharmacological inactivation of selected signalling pathways.In this study we demonstrated that levels of the thyroid hormone 3,3’,5‐triodo‐L‐thyronine (T3) transiently increased in the pancreas during acute pancreatitis. Moreover, by using genetic and pharmacological approaches to manipulate both local and systemic levels of thyroid hormones, we showed that T3 was required to promote proliferation of pancreatic acinar cells, without affecting the extent of tissue damage or inflammatory infiltration.Finally, upon genetic and pharmacological inactivation of selected signalling pathways, we demonstrated that T3 exerted its mitogenic effect on acinar cells via a tightly controlled action on different molecular effectors, including histone deacetylase, AKT, and TGFβ signalling.In conclusion, our data suggest that local availability of T3 in the pancreas is required to promote acinar cell proliferation and provide the rationale to exploit thyroid hormone signalling to enhance pancreatic regeneration