Hematite Clusters on Anatase TiO2 Surface and Effect of Oxygen Vacancy: A First Principles Study

It has been observed that small Fe2O3 clusters at low coverage on TiO2 can enhance the photocatalytic activity, while increase in concentration and size of the iron oxides can hinder it. Previously, TiO2/Fe2O3 composites have been studied using DFT methods and explained a photo electron transfer from TiO2 to Fe2O3. Nevertheless, a systematic study by increasing the size and coverage concentration of Fe2O3 clusters on the anatase surface can give more insights into observed photocatalytic activity. In this scenario, keeping this as a guideline, we have simulated adsorption of Fe2O3 clusters at the anatase TiO2 (101) surface. We investigated the structural, electronic and magnetic properties to understand the photocatalytic system. Adsorption of the clusters at the surface is exothermic and generates impurity states in the band gap which narrows the band gap. Notable charge transfer is attributed to a formation of heterojunction between TiO2 and Fe2O3 cluster. These findings indicate TiO2 to be a better photocatalyst with hematite clusters at low coverage. We also introduced oxygen vacancy in the heterostructure to study the possibility of altering the photocatalytic properties. We find that oxygen vacancy further alters the electronic properties, and also locally affects the magnetic properties. The results suggest that introduction of oxygen vacancy can be a promising routine to modify the photocatalytic performance of TiO2.Comment: 20 pages, 13 figure

Interface dynamics and kinetic roughening in fractals

We consider the dynamics and kinetic roughening of single-valued interfaces in two-dimensional fractal media. Assuming that the local height difference distribution function of the fronts obeys Levý statistics with a well-defined power-law decay exponent, we derive analytic expressions for the local scaling exponents. We also show that the kinetic roughening of the interfaces displays anomalous scaling and multiscaling in the relevant correlation functions. For invasion percolation models, the exponents can be obtained from the fractal geometry of percolation clusters. Our predictions are in excellent agreement with numerical simulations.Peer reviewe

Dynamics and Kinetic Roughening of Interfaces in Two-Dimensional Forced Wetting

We consider the dynamics and kinetic roughening of wetting fronts in the case of forced wetting driven by a constant mass flux into a 2D disordered medium. We employ a coarse-grained phase field model with local conservation of density, which has been developed earlier for spontaneous imbibition driven by a capillary forces. The forced flow creates interfaces that propagate at a constant average velocity. We first derive a linearized equation of motion for the interface fluctuations using projection methods. From this we extract a time-independent crossover length $\xi_\times$, which separates two regimes of dissipative behavior and governs the kinetic roughening of the interfaces by giving an upper cutoff for the extent of the fluctuations. By numerically integrating the phase field model, we find that the interfaces are superrough with a roughness exponent of $\chi = 1.35 \pm 0.05$, a growth exponent of $\beta = 0.50 \pm 0.02$, and $\xi_\times \sim v^{-1/2}$ as a function of the velocity. These results are in good agreement with recent experiments on Hele-Shaw cells. We also make a direct numerical comparison between the solutions of the full phase field model and the corresponding linearized interface equation. Good agreement is found in spatial correlations, while the temporal correlations in the two models are somewhat different.Comment: 9 pages, 4 figures, submitted to Eur.Phys.J.

Anomalous Roughening in Experiments of Interfaces in Hele-Shaw Flows with Strong Quenched Disorder

We report experimental evidences of anomalous kinetic roughening in the stable displacement of an oil-air interface in a Hele-Shaw cell with strong quenched disorder. The disorder consists on a random modulation of the gap spacing transverse to the growth direction (tracks). We have performed experiments varying average interface velocity and gap spacing, and measured the scaling exponents. We have obtained beta=0.50, beta*=0.25, alpha=1.0, alpha_l=0.5, and z=2. When there is no fluid injection, the interface is driven solely by capillary forces, and a higher value of beta around beta=0.65 is measured. The presence of multiscaling and the particular morphology of the interfaces, characterized by high slopes that follow a L\'evy distribution, confirms the existence of anomalous scaling. From a detailed study of the motion of the oil--air interface we show that the anomaly is a consequence of different local velocities over tracks plus the coupling in the motion between neighboring tracks. The anomaly disappears at high interface velocities, weak capillary forces, or when the disorder is not sufficiently persistent in the growth direction. We have also observed the absence of scaling when the disorder is very strong or when a regular modulation of the gap spacing is introduced.Comment: 14 pages, 17 figure

Identification of the Pangenome and Its Components in 14 Distinct Aggregatibacter actinomycetemcomitans Strains by Comparative Genomic Analysis

Aggregatibacter actinomycetemcomitans is genetically heterogeneous and comprises distinct clonal lineages that may have different virulence potentials. However, limited information of the strain-to-strain genomic variations is available.The genome sequences of 11 A. actinomycetemcomitans strains (serotypes a-f) were generated de novo, annotated and combined with three previously sequenced genomes (serotypes a-c) for comparative genomic analysis. Two major groups were identified; serotypes a, d, e, and f, and serotypes b and c. A serotype e strain was found to be distinct from both groups. The size of the pangenome was 3,301 genes, which included 2,034 core genes and 1,267 flexible genes. The number of core genes is estimated to stabilize at 2,060, while the size of the pangenome is estimated to increase by 16 genes with every additional strain sequenced in the future. Within each strain 16.7-29.4% of the genome belonged to the flexible gene pool. Between any two strains 0.4-19.5% of the genomes were different. The genomic differences were occasionally greater for strains of the same serotypes than strains of different serotypes. Furthermore, 171 genomic islands were identified. Cumulatively, 777 strain-specific genes were found on these islands and represented 61% of the flexible gene pool.Substantial genomic differences were detected among A. actinomycetemcomitans strains. Genomic islands account for more than half of the flexible genes. The phenotype and virulence of A. actinomycetemcomitans may not be defined by any single strain. Moreover, the genomic variation within each clonal lineage of A. actinomycetemcomitans (as defined by serotype grouping) may be greater than between clonal lineages. The large genomic data set in this study will be useful to further examine the molecular basis of variable virulence among A. actinomycetemcomitans strains

CHARACTERISATION AND IN VITRO AND IN VIVO EVALUATION OF SUPERCRITICAL-CO2-FOAMED B-TCP/PLCL COMPOSITES FOR BONE APPLICATIONS

Most synthetic bone grafts are either hard and brittle ceramics or paste-like materials that differ in applicability from the gold standard autologous bone graft, which restricts their widespread use. Therefore, the aim of the study was to develop an elastic, highly porous and biodegradable beta-tricalciumphosphate/poly(L-lactide-co-epsilon-caprolactone) (beta-TCP/PLCL) composite for bone applications using supercritical CO2 foaming. Ability to support osteogenic differentiation was tested in human adipose stem cell (hASC) culture for 21 d. Biocompatibility was evaluated for 24 weeks in a rabbit femur-defect model. Foamed composites had a high ceramic content (50 wt%) and porosity (65-67 %). After 50 % compression, in an aqueous environment at 37 degrees C, tested samples returned to 95 % of their original height. Hydrolytic degradation of beta-TCP/PLCL composite, during the 24-week follow-up, was very similar to that of porous PLCL scaffold both in vitro and in vivo. Osteogenic differentiation of hASCs was demonstrated by alkaline phosphatase activity analysis, alizarin red staining, soluble collagen analysis, immunocytochemical staining and qRT-PCR. In vitro, hASCs formed a pronounced mineralised collagen matrix. A rabbit femur defect model confirmed biocompatibility of the composite. According to histological Masson-Goldner's trichrome staining and micro-computed tomography, beta-TCP/PLCL composite did not elicit infection, formation of fibrous capsule or cysts. Finally, native bone tissue at 4 weeks was already able to grow on and in the beta-TCP/PLCL composite. The elastic and highly porous beta-TCP/PLCL composite is a promising bone substitute because it is osteoconductive and easy-to-use and mould intraoperatively.Peer reviewe

Studies Needed to Address Public Health Challenges of the 2009 H1N1 Influenza Pandemic: Insights from Modeling

In light of the 2009 influenza pandemic and potential future pandemics, Maria Van Kerkhove and colleagues anticipate six public health challenges and the data needed to support sound public health decision making.The authors acknowledge support from the Bill & Melinda Gates Foundation (MDVK, CF, NMF); Royal Society (CF); Medical Research Council (MDVK, CF, PJW, NMF); EU FP7 programme (NMF); UK Health Protection Agency (PJW); US National Institutes of Health Models of Infectious Disease Agent Study program through cooperative agreement 1U54GM088588 (ML); NIH Director's Pioneer Award, DP1-OD000490-01 (DS); EU FP7 grant EMPERIE 223498 (DS); the Wellcome Trust (DS); 3R01TW008246-01S1 from Fogerty International Center and RAPIDD program from Fogerty International Center with the Science & Technology Directorate, Department of Homeland Security (SR); and the Institut de Veille Sanitaire Sanitaire funded by the French Ministry of Health (J-CD). The funders played no role in the decision to submit the article or in its preparation

Motion of flux transfer events: a test of the Cooling model

The simple model of reconnected field line motion developed by Cooling et al. (2001) has been used in several recent case studies to explain the motion of flux transfer events across the magnetopause. We examine 213 FTEs observed by all four Cluster spacecraft under a variety of IMF conditions between November 2002 and June 2003, when the spacecraft tetrahedron separation was ~5000 km. Observed velocities were calculated from multi-spacecraft timing analysis, and compared with the velocities predicted by the Cooling model in order to check the validity of the model. After excluding three categories of FTEs (events with poorly defined velocities, a significant velocity component out of the magnetopause surface, or a scale size of less than 5000 km), we were left with a sample of 118 events. 78% of these events were consistent in both direction of motion and speed with one of the two model de Hoffmann-Teller (dHT) velocities calculated from the Cooling model (to within 30° and a factor of two in the speed). We also examined the plasma signatures of several magnetosheath FTEs; the electron signatures confirm the hemisphere of connection indicated by the model in most cases. This indicates that although the model is a simple one, it is a useful tool for identifying the source regions of FTEs