Top-down free-energy minimization on protein potential energy landscapes

The hierarchical properties of potential energy landscapes have been used to gain insight into thermodynamic and kinetic properties of protein ensembles. It also may be possible to use them to direct computational searches for thermodynamically stable macroscopic states, i.e., computational protein folding. To this end, we have developed a top-down search procedure in which conformation space is recursively dissected according to the intrinsic hierarchical structure of a landscape's effective-energy barriers. This procedure generates an inverted tree similar to the disconnectivity graphs generated by local minima-clustering methods, but it fundamentally differs in the manner in which the portion of the tree that is to be computationally explored is selected. A key ingredient is a branch-selection algorithm that takes advantage of statistically predictive properties of the landscape to guide searches down the tree branches that are most likely to lead to the physically relevant macroscopic states. Using the computational folding of a β-hairpin-forming peptide as an example, we show that such predictive properties indeed exist and can be used for structure prediction by free-energy global minimization.

Ecological intensification of cereal production systems: Yield potential, soil quality, and precision agriculture

Wheat (Triticum aestivum L.), rice (Oryza sativa L.), and maize (Zea mays L.) provide about two-thirds of all energy in human diets, and four major cropping systems in which these cereals are grown represent the foundation of human food supply. Yield per unit time and land has increased markedly during the past 30 years in these systems, a result of intensified crop management involving improved germplasm, greater inputs of fertilizer, production of two or more crops per year on the same piece of land, and irrigation. Meeting future food demand while minimizing expansion of cultivated area primarily will depend on continued intensification of these same four systems. The manner in which further intensification is achieved, however, will differ markedly from the past because the exploitable gap between average farm yields and genetic yield potential is closing. At present, the rate of increase in yield potential is much less than the expected increase in demand. Hence, average farm yields must reach 70–80% of the yield potential ceiling within 30 years in each of these major cereal systems. Achieving consistent production at these high levels without causing environmental damage requires improvements in soil quality and precise management of all production factors in time and space. The scope of the scientific challenge related to these objectives is discussed. It is concluded that major scientific breakthroughs must occur in basic plant physiology, ecophysiology, agroecology, and soil science to achieve the ecological intensification that is needed to meet the expected increase in food demand.

Tethered Monte Carlo: computing the effective potential without critical slowing down

We present Tethered Monte Carlo, a simple, general purpose method of computing the effective potential of the order parameter (Helmholtz free energy). This formalism is based on a new statistical ensemble, closely related to the micromagnetic one, but with an extended configuration space (through Creutz-like demons). Canonical averages for arbitrary values of the external magnetic field are computed without additional simulations. The method is put to work in the two-dimensional Ising model, where the existence of exact results enables us to perform high precision checks. A rather peculiar feature of our implementation, which employs a local Metropolis algorithm, is the total absence, within errors, of critical slowing down for magnetic observables. Indeed, high accuracy results are presented for lattices as large as L = 1024.

Tethered Monte Carlo: computing the effective potential without critical slowing down

We present Tethered Monte Carlo, a simple, general purpose method of computing the effective potential of the order parameter (Helmholtz free energy). This formalism is based on a new statistical ensemble, closely related to the micromagnetic one, but with an extended configuration space (through Creutz-like demons). Canonical averages for arbitrary values of the external magnetic field are computed without additional simulations. The method is put to work in the two-dimensional Ising model, where the existence of exact results enables us to perform high precision checks. A rather peculiar feature of our implementation, which employs a local Metropolis algorithm, is the total absence, within errors, of critical slowing down for magnetic observables. Indeed, high accuracy results are presented for lattices as large as L = 1024.

Eits: Combinatorics, Potential and Genre

Eits is a work of fiction, a non-traditional novel whose structure is largely determined by an Oulipian-style constraint. The constraint in Eits is culled from the album names and song titles of the band Explosions in the Sky. Each album corresponds to a chapter in the novel, and the language of each album title must be used in some way as an introduction to each chapter. Within each chapter (album), song titles correspond to numbered sections where each title must appear as is in the first sentence of that section. This not only dictates, to some degree, the direction of the text that will follow, but, looking ahead, the title of the next section will dictate where this section must arrive. From this, a narrative naturally takes shape. Albums/chapters appear chronologically, according to each album's release date, and within each album/chapter, songs/sections appear in the order they do on the album. This is, perhaps, the most straightforward way of ordering the received language of the constraint, the possibilities beyond this exponential. Eits is a novel that shifts in form, providing a texture to the space and reading experience of the novel, all in hopes of creating a space in which content and form inform and push each other to new limits. Eits is never satisfied to settle on one form for too long, and it is in the movement between forms that the narrative develops in interesting ways. Eits demonstrates the combinatoric possibilities inherent in language, and this exploration of potential highlights the reciprocal relationship between writing and reading. As Eits builds upon a limited language set, it explores and exploits the combinatory possibilities that language allows for both writer and reader. It demonstrates that all combinatoric potentialities, visible or not, always co-exist in the same time and space, and in this infinite space, individuals are invited to be writers and readers in simultaneity.

Reverse Vending Machines: A Potential Solution for the Florida Plastic Waste Management Challenge

The waste of plastic beverage bottles creates environmental problems and takes up a large volume of landfill space. The high rate of consumption of plastics in the State of Florida is challenging the disposal capacity of waste authorities. The lack of the reverse vending machines in the State of Florida, including applicable scientific or technical literature represented an opportunity for this research to discuss the applicability of this equipment as a potential solution for the management of the plastic waste in Florida. With this research document, I will propose a recycling system for plastic bottles made with PET based on the implementation of reverse vending machines, stressing the importance of the creation of policies that promote recycling and public participation.

Tourism potential analysis of the castles of Vinalopó, Spain: an opportunity for social and tourist development of cultural heritage

Within the overall framework of the renewal process of coastal tourist destinations, cultural heritage has frequently been used as a key argument for the introduction and development of strategies for the diversification and differentiation of the traditional tourist product based on sun and sand. This is the situation of the province of Alicante, identified with the Costa Blanca geotourism brand, where there are important economic issues that could contribute to the renewal of this coastal tourist destination. One of the most significant heritage values of this space consists of a series of medieval fortresses located along the axis of the Vinalopó River, which has acted since prehistoric times as a natural route from within the provincial mainland to the coast. It is precisely the argument of this historical, territorial and landscape content that has been used repeatedly in recent years to develop initiatives aimed at the creation of a tourist product, currently inexistent, based on the route of the castles of Vinalopó. This communication aims to analyse the degree of tourism potential of the fortresses located in the towns of Biar, Banyeres de Mariola, Sax, Villena, Novelda, Elda, Petrer and Elche, which constitute the core of municipalities where these medieval fortresses are located, finally pointing out some proposals for the creation of a heritage tourism product.

Potential climatic impacts of increasing atmospheric CO with emphasis on water availability and hydrology in the United States : report prepared for the Environmental Protection Agency /

"April 1984."

Creating a global internet public space: is there a way forward?

Why is there such a pressing effort to find alternative modes, globally, to fashion internet policy? One must start with a simple observation: states have been considered the main political actors in international politics. Their borders gave origin to the internal/ external binomial and to the division between domestic and foreign policy. The domestic playing field would be the space where history, identity and a community of destiny could flourish, allowing individuals to engage in a public sphere as equal citizens to work to define common goals and the best way to pursue them. This space was separated from the external arena, traditionally characterized by anarchy, potential conflict and insecurity.

Variation in body size and sexual dimorphism across geographical and environmental space in the frogs Limnodynastes tasmaniensis and L. peronii

This study aimed to identify potential factors responsible for geographically structured morphological variation within the widespread Australian frogs Limnodynastes tasmaniensis Gunther and L. peronii Dumeril & Bibron. There was support for James's rule, and both latitude and present climate explained large amounts of the variation in body size and shape (particularly in L. peronii). There was also some support for the influence of several biogeographical barriers. Finally, both species were sexually dimorphic for body size and the degree of sexual size dimorphism (SSD) varied geographically. Climate was an important explanation for SSD variation in L. peronii, while latitude was most important for L. tasmaniensis. Geographical variations in sexual selection via male-male physical competition and climate-related resources are suggested as potential explanations for SSD variation in L. peronii. (C) 2004 The Linnean Society of London.

Potassium channels and membrane potential in the modulation of intracellular calcium in vascular endothelial cells

K+ Channels and Membrane Potential in Endothelial Cells. The endothelium plays a vital role in the control of vascular functions, including modulation of tone; permeability and barrier properties; platelet adhesion and aggregation; and secretion of paracrine factors. Critical signaling events in many of these functions involve an increase in intracellular free Ca2+ concentration ([Ca2+](i)). This rise in [Ca2+](i) occurs via an interplay between several mechanisms, including release from intracellular stores, entry from the extracellular space through store depletion and second messenger-mediated processes, and the establishment of a favorable electrochemical gradient. The focus of this review centers on the role of potassium channels and membrane potential in the creation of a favorable electrochemical gradient for Ca2+ entry. In addition, evidence is examined for the existence of various classes of potassium channels and the possible influence of regional variation in expression and experimental conditions.

Gaussian phase-space representations for fermions

We introduce a positive phase-space representation for fermions, using the most general possible multimode Gaussian operator basis. The representation generalizes previous bosonic quantum phase-space methods to Fermi systems. We derive equivalences between quantum and stochastic moments, as well as operator correspondences that map quantum operator evolution onto stochastic processes in phase space. The representation thus enables first-principles quantum dynamical or equilibrium calculations in many-body Fermi systems. Potential applications are to strongly interacting and correlated Fermi gases, including coherent behavior in open systems and nanostructures described by master equations. Examples of an ideal gas and the Hubbard model are given, as well as a generic open system, in order to illustrate these ideas.

Strategizing networks of power and influence:the internet and the struggle over contested space

Whilst some authors have portrayed the Internet as a powerful tool for business and political institutions, others have highlighted the potential of this technology for those vying to constrain or counter-balance the power of organizations, through e-collectivism and on-line action. What appears to be emerging is a contested space that has the potential to simultaneously enhance the power of organizations, whilst also acting as an enabling technology for the empowerment of grass-root networks. In this struggle, organizations are fighting for the retention of “old economy” positions, as well as the development of “new economy” power-bases. In realizing these positions, organizations and institutions are strategizing and manoeuvering in order to shape on-line networks and communications. For example, the on-line activities of individuals can be contained through various technological means, such as surveillance, and the structuring of the virtual world through the use of portals and “walled gardens”. However, loose groupings of individuals are also strategizing to ensure there is a liberation of their communication paths and practices, and to maintain the potential for mobilization within and across traditional boundaries. In this article, the unique nature and potential of the Internet are evaluated, and the struggle over this contested virtual space is explored.

Dancing for women:subverting heteronormativity in a lesbian erotic dance space?

This article utilises participant observation, interview and collaborative visual data, collected with women erotic dancers, management and customers, to ascertain how far heteronormativity is subverted in a UK lesbian leisure space, Lippy (the name is a pseudonym), which provides erotic dance for women customers. The potential for a female 'gaze', the 'normativity' of gendered and sexualised bodies, and the notion of a 'women's space' are taken as areas for analysis. Women's engagement with erotic dance is complex, and this article examines the connections between sexual agency and gendered power relations, questioning how far women can exercise autonomous sexual expression in commercial sexual encounters. © The Author(s) 2012.

On Multi-Dimensional Random Walk Models Approximating Symmetric Space-Fractional Diffusion Processes

Mathematics Subject Classification: 26A33, 47B06, 47G30, 60G50, 60G52, 60G60.