Fluctuating micro-heterogeneity in water-tert-butyl alcohol mixtures and lambda-type divergence of the mean cluster size with phase transition-like multiple anomalies

Water-tert-butyl alcohol (TBA) binary mixture exhibits a large number of thermodynamic and dynamic anomalies. These anomalies are observed at surprisingly low TBA mole fraction, with x(TBA) approximate to 0.03-0.07. We demonstrate here that the origin of the anomalies lies in the local structural changes that occur due to self-aggregation of TBA molecules. We observe a percolation transition of the TBA molecules at x(TBA) approximate to 0.05. We note that ``islands'' of TBA clusters form even below this mole fraction, while a large spanning cluster emerges above that mole fraction. At this percolation threshold, we observe a lambda-type divergence in the fluctuation of the size of the largest TBA cluster, reminiscent of a critical point. Alongside, the structure of water is also perturbed, albeit weakly, by the aggregation of TBA molecules. There is a monotonic decrease in the tetrahedral order parameter of water, while the dipole moment correlation shows a weak nonlinearity. Interestingly, water molecules themselves exhibit a reverse percolation transition at higher TBA concentration, x(TBA) approximate to 0.45, where large spanning water clusters now break-up into small clusters. This is accompanied by significant divergence of the fluctuations in the size of largest water cluster. This second transition gives rise to another set of anomalies around. Both the percolation transitions can be regarded as manifestations of Janus effect at small molecular level. (C) 2014 AIP Publishing LLC.

Comparison of aggregation behaviors between branched and linear block polyethers: MesoDyn simulation study

The comparison of aggregation behaviors between the branched block polyether T1107 (polyether A) and linear polyether (EO)(60)(PO)(40)(EO)(60) (polyether B) in aqueous solution are investigated by the MesoDyn simulation. Polyether A forms micelles at lower concentration and has a smaller aggregation number than B. Both the polyethers show the time-dependent micellar growth behaviors. The spherical micelles appear and then change to rod-like micelles with time evolution in the 10 vol% solution of polyether A. The micellar cluster appears and changes to pseudo-spherical micelles with time evolution in the 20 vol% solution of polyether A. However, the spherical micelles appear and change to micellar cluster with time evolution in the 20 vol% polyether B solution. The shear can induce the micellar transition of both block polyethers. When the shear rate is 1x10(5) s(-1), the shear can induce the sphere-to-rod transition of both polyethers at the concentration of 10 and 20 vol%. When the shear rate is lower than 1x10(5) s(-1), the huge micelles and micellar clusters can be formed in the 10 and 20 vol% polyether A systems under the shear, while the huge micelles are formed and then disaggregated with the time evolution in the 20 vol% polyether B system.

Optimal Scheduling of Secondary Content for Aggregation in Video-on-Demand Systems

Dynamic service aggregation techniques can exploit skewed access popularity patterns to reduce the costs of building interactive VoD systems. These schemes seek to cluster and merge users into single streams by bridging the temporal skew between them, thus improving server and network utilization. Rate adaptation and secondary content insertion are two such schemes. In this paper, we present and evaluate an optimal scheduling algorithm for inserting secondary content in this scenario. The algorithm runs in polynomial time, and is optimal with respect to the total bandwidth usage over the merging interval. We present constraints on content insertion which make the overall QoS of the delivered stream acceptable, and show how our algorithm can satisfy these constraints. We report simulation results which quantify the excellent gains due to content insertion. We discuss dynamic scenarios with user arrivals and interactions, and show that content insertion reduces the channel bandwidth requirement to almost half. We also discuss differentiated service techniques, such as N-VoD and premium no-advertisement service, and show how our algorithm can support these as well.

How do autoimmune diseases cluster in families? A systematic review and meta-analysis

Background: A primary characteristic of complex genetic diseases is that affected individuals tend to cluster in families (that is, familial aggregation). Aggregation of the same autoimmune condition, also referred to as familial autoimmune disease, has been extensively evaluated. However, aggregation of diverse autoimmune diseases, also known as familial autoimmunity, has been overlooked. Therefore, a systematic review and meta-analysis were performed aimed at gathering evidence about this topic. Methods: Familial autoimmunity was investigated in five major autoimmune diseases, namely, rheumatoid arthritis, systemic lupus erythematosus, autoimmune thyroid disease, multiple sclerosis and type 1 diabetes mellitus. Preferred Reporting Items for Systematic Reviews and Meta-Analysis (PRISMA) guidelines were followed. Articles were searched in Pubmed and Embase databases. Results: Out of a total of 61 articles, 44 were selected for final analysis. Familial autoimmunity was found in all the autoimmune diseases investigated. Aggregation of autoimmune thyroid disease, followed by systemic lupus erythematosus and rheumatoid arthritis, was the most encountered. Conclusions: Familial autoimmunity is a frequently seen condition. Further study of familial autoimmunity will help to decipher the common mechanisms of autoimmunity.

Smart cluster bombs - control of multi-agent systems for military applications

This paper introduces an aggregation algorithm for airborne swarming guided weapon systems, which can aggregate munitions into a given shape while reaching the surface. The algorithm uses an artificial force based controller to navigate the members of the swarm into the desired geographical position and evenly distribute them inside the shape. Inter-member repulsion forces are used to avoid collisions among members, which is crucial for a weapon deployment system. Moreover, a lower bound for the release height was obtained which guarantee convergence of the complete weapon system into the target area. The proposed swarming guided weapon system was tested using computer simulations.

Cluster Coordination and Photoluminescence Properties of alpha-Ag2WO4 Microcrystals

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Cluster Coordination and Photoluminescence Properties of alpha-Ag2WO4 Microcrystals

In this paper, we report our initial research to obtain hexagonal rod-like elongated silver tungstate (alpha-Ag2WO4) microcrystals by different methods [sonochemistry (SC), coprecipitation (CP), and conventional hydrothermal (CH)] and to study their cluster coordination and optical properties. These microcrystals were structurally characterized by X-ray diffraction (XRD), Rietveld refinements, Fourier transform infrared (FT-IR), X-ray absorption near-edge structure (XANES), and extended X-ray absorption fine structure (EXAFS) spectroscopies. The shape and average size of these alpha-Ag2WO4 microcrystals were observed by field-emission scanning electron microscopy (FE-SEM). The optical properties of these microcrystals were investigated by ultraviolet-visible (UV-vis) spectroscopy and photoluminescence (PL) measurements. XRD patterns and Rietveld refinement data confirmed that alpha-Ag2WO4 microcrystals have an orthorhombic structure. FT-IR spectra exhibited four IR-active modes in a range from 250 to 1000 cm(-1). XANES spectra at the W L-3-edge showed distorted octahedral [WO6] clusters in the lattice, while EXAFS analyses confirmed that W atoms are coordinated by six O atoms. FE-SEM images suggest that the alpha-Ag2WO4 microcrystals grow by aggregation and the Ostwald ripening process. PL properties of alpha-Ag2WO4 microcrystals decrease with an increase in the optical band-gap values (3.19-3.23 eV). Finally, we observed that large hexagonal rod-like alpha-Ag2WO4 microcrystals prepared by the SC method exhibited a major PL emission intensity relative to alpha-Ag2WO4 microcrystals prepared by the CP and CH methods.

Quantification of the hydrophobic interaction by simulations of the aggregation of small hydrophobic solutes in water

The hydrophobic interaction, the tendency for nonpolar molecules to aggregate in solution, is a major driving force in biology. In a direct approach to the physical basis of the hydrophobic effect, nanosecond molecular dynamics simulations were performed on increasing numbers of hydrocarbon solute molecules in water-filled boxes of different sizes. The intermittent formation of solute clusters gives a free energy that is proportional to the loss in exposed molecular surface area with a constant of proportionality of 45 ± 6 cal/mol⋅Å2. The molecular surface area is the envelope of the solute cluster that is impenetrable by solvent and is somewhat smaller than the more traditional solvent-accessible surface area, which is the area transcribed by the radius of a solvent molecule rolled over the surface of the cluster. When we apply a factor relating molecular surface area to solvent-accessible surface area, we obtain 24 cal/mol⋅Å2. Ours is the first direct calculation, to our knowledge, of the hydrophobic interaction from molecular dynamics simulations; the excellent qualitative and quantitative agreement with experiment proves that simple van der Waals interactions and atomic point-charge electrostatics account for the most important driving force in biology.

Classic beta-amyloid deposits cluster around large diameter blood vessels rather than capillaries in sporadic Alzheimer's disease

Various hypotheses could explain the relationship between beta-amyloid (Abeta) deposition and the vasculature in Alzheimer's disease (AD). Amyloid deposition may reduce capillary density, affect endothelial cells of blood vessels, result in diffusion from blood vessels, or interfere with the perivascular clearance mechanism. Hence, the spatial pattern of the classic ('cored') type of Abeta deposit was studied in the upper laminae (I,II/III) of the superior frontal gyrus in nine cases of sporadic AD (SAD). Sections were immunostained with antibodies against Abeta and with collagen IV to study the relationships between the spatial distribution of the classic deposits and the blood vessel profiles. Both the classic deposits and blood vessel profiles were distributed in clusters. In all cases, there was a positive spatial correlation between the clusters of the classic deposits and the larger diameter (>10 microm) blood vessel profiles and especially the vertically penetrating arterioles. In only 1 case, was there a significant spatial correlation between the clusters of the classic deposits and the smaller diameter (<10 microm) capillaries. There were no negative correlations between the density of Abeta deposits and the smaller diameter capillaries. In 9/11 cases, the clusters of the classic deposits were significantly larger than those of the clusters of the larger blood vessel profiles. In addition, the density of the classic deposits declined as a negative exponential function with distance from a vertically penetrating arteriole. These results suggest that the classic Abeta deposits cluster around the larger blood vessels in the upper laminae of the frontal cortex. This aggregation could result from diffusion of proteins from blood vessels or from overloading the system of perivascular clearance from the brain.

A statistical method for the identification and aggregation of regional linguistic variation

This paper introduces a method for the analysis of regional linguistic variation. The method identifies individual and common patterns of spatial clustering in a set of linguistic variables measured over a set of locations based on a combination of three statistical techniques: spatial autocorrelation, factor analysis, and cluster analysis. To demonstrate how to apply this method, it is used to analyze regional variation in the values of 40 continuously measured, high-frequency lexical alternation variables in a 26-million-word corpus of letters to the editor representing 206 cities from across the United States.

Improving energy efficiency in a wireless sensor network by combining cooperative MIMO with data aggregation

In wireless sensor networks where nodes are powered by batteries, it is critical to prolong the network lifetime by minimizing the energy consumption of each node. In this paper, the cooperative multiple-input-multiple-output (MIMO) and data-aggregation techniques are jointly adopted to reduce the energy consumption per bit in wireless sensor networks by reducing the amount of data for transmission and better using network resources through cooperative communication. For this purpose, we derive a new energy model that considers the correlation between data generated by nodes and the distance between them for a cluster-based sensor network by employing the combined techniques. Using this model, the effect of the cluster size on the average energy consumption per node can be analyzed. It is shown that the energy efficiency of the network can significantly be enhanced in cooperative MIMO systems with data aggregation, compared with either cooperative MIMO systems without data aggregation or data-aggregation systems without cooperative MIMO, if sensor nodes are properly clusterized. Both centralized and distributed data-aggregation schemes for the cooperating nodes to exchange and compress their data are also proposed and appraised, which lead to diverse impacts of data correlation on the energy performance of the integrated cooperative MIMO and data-aggregation systems.

Exact solutions for cluster-growth kinetics with evolving size and shape profiles

In this paper we construct a model for the simultaneous compaction by which clusters are restructured, and growth of clusters by pairwise coagulation. The model has the form of a multicomponent aggregation problem in which the components are cluster mass and cluster diameter. Following suitable approximations, exact explicit solutions are derived which may be useful for the verification of simulations of such systems. Numerical simulations are presented to illustrate typical behaviour and to show the accuracy of approximations made in deriving the model. The solutions are then simplified using asymptotic techniques to show the relevant timescales of the kinetic processes and elucidate the shape of the cluster distribution functions at large times.

A new approach for computing a flood vulnerability index using cluster analysis

A Flood Vulnerability Index (FloodVI) was developed using Principal Component Analysis (PCA) and a new aggregation method based on Cluster Analysis (CA). PCA simplifies a large number of variables into a few uncorrelated factors representing the social, economic, physical and environmental dimensions of vulnerability. CA groups areas that have the same characteristics in terms of vulnerability into vulnerability classes. The grouping of the areas determines their classification contrary to other aggregation methods in which the areas' classification determines their grouping. While other aggregation methods distribute the areas into classes, in an artificial manner, by imposing a certain probability for an area to belong to a certain class, as determined by the assumption that the aggregation measure used is normally distributed, CA does not constrain the distribution of the areas by the classes. FloodVI was designed at the neighbourhood level and was applied to the Portuguese municipality of Vila Nova de Gaia where several flood events have taken place in the recent past. The FloodVI sensitivity was assessed using three different aggregation methods: the sum of component scores, the first component score and the weighted sum of component scores. The results highlight the sensitivity of the FloodVI to different aggregation methods. Both sum of component scores and weighted sum of component scores have shown similar results. The first component score aggregation method classifies almost all areas as having medium vulnerability and finally the results obtained using the CA show a distinct differentiation of the vulnerability where hot spots can be clearly identified. The information provided by records of previous flood events corroborate the results obtained with CA, because the inundated areas with greater damages are those that are identified as high and very high vulnerability areas by CA. This supports the fact that CA provides a reliable FloodVI.