Cluster-variation approximation for a network-forming lattice-fluid model

We consider a 3-dimensional lattice model of a network-forming fluid, which has been recently investigated by Girardi and coworkers by means of Monte Carlo simulations [J. Chem. Phys. \textbf{126}, 064503 (2007)], with the aim of describing water anomalies. We develop an approximate semi-analytical calculation, based on a cluster-variation technique, which turns out to reproduce almost quantitatively different thermodynamic properties and phase transitions determined by the Monte Carlo method. Nevertheless, our calculation points out the existence of two different phases characterized by long-range orientational order, and of critical transitions between them and to a high-temperature orientationally-disordered phase. Also, the existence of such critical lines allows us to explain certain ``kinks'' in the isotherms and isobars determined by the Monte Carlo analysis. The picture of the phase diagram becomes much more complex and richer, though unfortunately less suitable to describe real water.Comment: 10 pages, 9 figures, submitted to J. Chem. Phy

Revisiting waterlike network-forming lattice models

In a previous paper [J. Chem. Phys. 129, 024506 (2008)] we studied a 3 dimensional lattice model of a network-forming fluid, recently proposed in order to investigate water anomalies. Our semi-analytical calculation, based on a cluster-variation technique, turned out to reproduce almost quantitatively several Monte Carlo results and allowed us to clarify the structure of the phase diagram, including different kinds of orientationally ordered phases. Here, we extend the calculation to different parameter values and to other similar models, known in the literature. We observe that analogous ordered phases occur in all these models. Moreover, we show that certain "waterlike" thermodynamic anomalies, claimed by previous studies, are indeed artifacts of a homogeneity assumption made in the analytical treatment. We argue that such a difficulty is common to a whole class of lattice models for water, and suggest a possible way to overcome the problem.Comment: 13 pages, 12 figure

The impact of space and space-related activities on a local economy. a case study of boulder, colorado. part ii- the income-product accounts

Total impact of space and space related activities on local economy of Boulder, Colorado - income-product account

Diet of Tripletail, Lobotes surinamensis, from Mississippi Coastal Waters

The diet of tripletail, Lobotes surinamensis, collected from the Mississippi Sound and Mississippi\u27s offshore waters of the Gulf of Mexico between April and September 1995-1997, was investigated through analysis of stomach contents. Of 178 tripletail stomachs examined, 136 (76%) contained prey items, and 42 (24%) were empty. Tripletail with prey in their stomachs ranged from 183 to 787 mm total length (mean 522.6 mm) and 0.14 to 10.5 kg total weight (mean 3.64 kg). The diet consisted of 32 different prey types and was comprised of shrimp, crabs, and teleost fishes which were represented by about equal number and volume of prey but differed in relative importance to the diet, with fishes having greater importance. Principal contributors to the diet were Farfantepenaeus aztecus, Callinectes sapidus, Brevoortia patronus, and Chloroscombrus chrysurus. The variety of prey in the diet suggested that tripletail fed opportunistically

Molecular modeling of a tandem two pore domain potassium channel reveals a putative binding Site for general anesthetics

[Image: see text] Anesthetics are thought to mediate a portion of their activity via binding to and modulation of potassium channels. In particular, tandem pore potassium channels (K2P) are transmembrane ion channels whose current is modulated by the presence of general anesthetics and whose genetic absence has been shown to confer a level of anesthetic resistance. While the exact molecular structure of all K2P forms remains unknown, significant progress has been made toward understanding their structure and interactions with anesthetics via the methods of molecular modeling, coupled with the recently released higher resolution structures of homologous potassium channels to act as templates. Such models reveal the convergence of amino acid regions that are known to modulate anesthetic activity onto a common three- dimensional cavity that forms a putative anesthetic binding site. The model successfully predicts additional important residues that are also involved in the putative binding site as validated by the results of suggested experimental mutations. Such a model can now be used to further predict other amino acid residues that may be intimately involved in the target-based structure–activity relationships that are necessary for anesthetic binding

Long-term consistency in chimpanzee consolation behaviour reflects empathetic personalities

In contrast to a wealth of human studies, little is known about the ontogeny and consistency of empathy-related capacities in other species. Consolation—post-conflict affiliation from uninvolved bystanders to distressed others—is a suggested marker of empathetic concern in non-human animals. Using longitudinal data comprising nearly a decade of observations on over 3000 conflict interactions in 44 chimpanzees (Pan troglodytes), we provide evidence for relatively stable individual differences in consolation behaviour. Across development,individuals consistently differ from one another in this trait, with higher consolatory tendencies predicting better social integration, a sign of social competence. Further, similar to recent results in other ape species, but in contrast to many human self-reported findings,older chimpanzees are less likely to console than are younger individuals. Overall, given the link between consolation and empathy, these findings help elucidate the development of individual socio-cognitive and -emotional abilities in one of our closest relatives

The random case of Conley's theorem

The well-known Conley's theorem states that the complement of chain recurrent set equals the union of all connecting orbits of the flow $\phi$ on the compact metric space $X$, i.e. $X-\mathcal{CR}(\phi)=\bigcup [B(A)-A]$, where $\mathcal{CR}(\phi)$ denotes the chain recurrent set of $\phi$, $A$ stands for an attractor and $B(A)$ is the basin determined by $A$. In this paper we show that by appropriately selecting the definition of random attractor, in fact we define a random local attractor to be the $\omega$-limit set of some random pre-attractor surrounding it, and by considering appropriate measurability, in fact we also consider the universal $\sigma$-algebra $\mathcal F^u$-measurability besides $\mathcal F$-measurability, we are able to obtain the random case of Conley's theorem.Comment: 15 page

Cooperative Origin of Low-Density Domains in Liquid Water

We study the size of clusters formed by water molecules possessing large enough tetrahedrality with respect to their nearest neighbors. Using Monte Carlo simulation of the SPC/E model of water, together with a geometric analysis based on Voronoi tessellation, we find that regions of lower density than the bulk are formed by accretion of molecules into clusters exceeding a minimum size. Clusters are predominantly linear objects and become less compact as they grow until they reach a size beyond which further accretion is not accompanied by a density decrease. The results suggest that the formation of "ice-like" regions in liquid water is cooperative.Comment: 16 pages, 6 figure