Phase diagram of patchy colloids: towards empty liquids

We report theoretical and numerical evaluations of the phase diagram for patchy colloidal particles of new generation. We show that the reduction of the number of bonded nearest neighbours offers the possibility of generating liquid states (i.e. states with temperature $T$ lower than the liquid-gas critical temperature) with a vanishing occupied packing fraction ($\phi$), a case which can not be realized with spherically interacting particles. Theoretical results suggest that such reduction is accompanied by an increase of the region of stability of the liquid phase in the ($T$-$\phi$) plane, possibly favoring the establishment of homogeneous disordered materials at small $\phi$, i.e. stable equilibrium gels.Comment: 4 pages, 4 figures, revised version, accepted in Phys. Rev. Let

Time to Organize the Bioinformatics Resourceome

The initial steps toward a bioinformatics resourceome are clear. First, an overall ontology with the high-level concepts (algorithms, databases, organizations, papers, people, etc.) must be created, with a set of standard attributes and a standard set of relations between these concepts (e.g., people publish papers, papers describe algorithms or databases, organizations house people, etc.). The initial ontology should be compact and built for distributed collaborative extension. Second, a mechanism for people to extend this ontology with subconcepts in order to describe their own resources should be designed. The precise location of a tool within a taxonomy is not critical—the author will place it somewhere based on the location of similar/competing resources or based on a best-informed guess. Others may create links to the resource from other appropriate locations in the taxonomy in order to ensure that competing interpretations of the appropriate conceptual location for the resource are accommodated. Third, the formats for the ontologies and the resource descriptions should be published so enterprising software engineers can create interfaces for surfing, searching, and viewing the resources. The resulting distributed system of resource descriptions would be extensible, robust, and useful to the entire biomedical research community

Self-Assembly of Patchy Particles into Polymer Chains: A Parameter-Free Comparison between Wertheim Theory and Monte Carlo Simulation

We numerically study a simple fluid composed of particles having a hard-core repulsion, complemented by two short-ranged attractive (sticky) spots at the particle poles, which provides a simple model for equilibrium polymerization of linear chains. The simplicity of the model allows for a close comparison, with no fitting parameters, between simulations and theoretical predictions based on the Wertheim perturbation theory, a unique framework for the analytic prediction of the properties of self-assembling particle systems in terms of molecular parameter and liquid state correlation functions. This theory has not been subjected to stringent tests against simulation data for ordering across the polymerization transition. We numerically determine many of the thermodynamic properties governing this basic form of self-assembly (energy per particle, order parameter or average fraction of particles in the associated state, average chain length, chain length distribution, average end-to-end distance of the chains, and the static structure factor) and find that predictions of the Wertheim theory accord remarkably well with the simulation results

Shear-driven solidification of dilute colloidal suspensions

We show that the shear-induced solidification of dilute charge-stabilized (DLVO) colloids is due to the interplay between the shear-induced formation and breakage of large non-Brownian clusters. While their size is limited by breakage, their number density increases with the shearing-time. Upon flow cessation, the dense packing of clusters interconnects into a rigid state by means of grainy bonds, each involving a large number of primary colloidal bonds. The emerging picture of shear-driven solidification in dilute colloidal suspensions combines the gelation of Brownian systems with the jamming of athermal systems

CPT-conserving Hamiltonians and their nonlinear supersymmetrization using differential charge-operators C

A brief overview is given of recent developments and fresh ideas at the intersection of PT and/or CPT-symmetric quantum mechanics with supersymmetric quantum mechanics (SUSY QM). We study the consequences of the assumption that the "charge" operator C is represented in a differential-operator form. Besides the freedom allowed by the Hermiticity constraint for the operator CP, encouraging results are obtained in the second-order case. The integrability of intertwining relations proves to match the closure of nonlinear SUSY algebra. In an illustration, our CPT-symmetric SUSY QM leads to non-Hermitian polynomial oscillators with real spectrum which turn out to be PT-asymmetric.Comment: 25 page

Phytotoxic metabolites produced by fungi involvedin cork oak decline

Diplodia corticola, anamorph of Botryosphaeria corticola Phillips, Alves et Luque, and Biscognauxia mediterranea (De Not.) O. Kuntze (= Hypoxylon mediterraneum) have often been associated with serious decline phenomena, which have been affecting the cork oak forest in Italy and other Mediterranean countries for several years. Diplodia corticola is widespread in Sardinian oak forests, and can affect plants of different ages, inducing symptoms which include dieback, cankers and vascular necrosis. These studies may provide information which could be useful for understanding the chemistry and the biology governing the relationship between these fungi and their hosts. Further studies should aim to also evaluate the ecological role of these substances

Soil Carbon in Agroforestry Systems: An Unexplored Treasure?

Soil organic matter (SOM), which contains more reactive organic carbon (C) than any other single terrestrial pool, plays a major role in determining C storage in ecosystems and regulating atmospheric concentrations of carbon dioxide (CO2)^1^. Agroforestry, the practice of growing trees and crops in interacting combinations on the same unit of land^2^, primarily by resource-poor smallholder farmers in developing countries, is recognized as a strategy for soil carbon sequestration (SCS) under the Clean Development Mechanism (CDM) of the Kyoto Protocol^3^. The understanding about C storage and dynamics under agroforestry systems (AFS), however, is minimal. Our studies under various AFS in diverse ecological conditions in five countries showed that tree-based agricultural systems, compared to treeless systems, stored more C in deeper soil layers up to 1 m depth under comparable conditions. More C is stored in soil near the tree than away from the tree; higher SOC content is associated with higher species richness and tree density; and C3 plants (trees) contribute to more C in the silt- + clay-sized (<53 µm) fractions that constitute more stable C, than C4 plants, in deeper soil profiles4 - 8. These results provide clear indications of the possibilities for climate change mitigation through SCS in AFS, and opportunities for economic benefit - through carbon trading - to millions of smallholder farmers in developing countries

Coarse Grained Density Functional Theories for Metallic Alloys: Generalized Coherent Potential Approximations and Charge Excess Functional Theory

The class of the Generalized Coherent Potential Approximations (GCPA) to the Density Functional Theory (DFT) is introduced within the Multiple Scattering Theory formalism for dealing with, ordered or disordered, metallic alloys. All GCPA theories are based on a common ansatz for the kinetic part of the Hohenberg-Kohn functional and each theory of the class is specified by an external model concerning the potential reconstruction. The GCPA density functional consists of marginally coupled local contributions, does not depend on the details of the charge density and can be exactly rewritten as a function of the appropriate charge multipole moments associated with each lattice site. A general procedure based on the integration of the 'qV' laws is described that allows for the explicit construction the same function. The coarse grained nature of the GCPA density functional implies great computational advantages and is connected with the O(N) scalability of GCPA algorithms. Moreover, it is shown that a convenient truncated series expansion of the GCPA functional leads to the Charge Excess Functional (CEF) theory [E. Bruno, L. Zingales and Y. Wang, Phys. Rev. Lett. {\bf 91}, 166401 (2003)] which here is offered in a generalized version that includes multipolar interactions. CEF and the GCPA numerical results are compared with status of art LAPW full-potential density functional calculations for 62, bcc- and fcc-based, ordered CuZn alloys, in all the range of concentrations. These extensive tests show that the discrepancies between GCPA and CEF are always within the numerical accuracy of the calculations, both for the site charges and the total energies. Furthermore, GCPA and CEF very carefully reproduce the LAPW site charges and the total energy trends.Comment: 19 pages, 11 figure

Distributional Borel Summability of Odd Anharmonic Oscillators

It is proved that the divergent Rayleigh-Schrodinger perturbation expansions for the eigenvalues of any odd anharmonic oscillator are Borel summable in the distributional sense to the resonances naturally associated with the system