Extended corresponding-states behavior for particles with variable range attractions

We propose an extension of the law of corresponding states that can be applied to systems - such as colloidal suspensions - that have widely different ranges of attractive interactions. We argue that, for such systems, the ``reduced'' second virial coefficient is a convenient parameter to quantify the effective range of attraction. This procedure allows us to give a simple definition of the effective range of attraction of potentials with different functional forms. The advantage of the present approach is that it allows us to estimate the relative location of the liquid-vapor and solid-fluid coexistence curves exclusively on basis of the knowledge of the pair-potential.Comment: REVTeX, 5 pages, 2 figure

The role of long-range forces in the phase behavior of colloids and proteins

The phase behavior of colloid-polymer mixtures, and of solutions of globular proteins, is often interpreted in terms of a simple model of hard spheres with short-ranged attraction. While such a model yields a qualitative understanding of the generic phase diagrams of both colloids and proteins, it fails to capture one important difference: the model predicts fluid-fluid phase separation in the metastable regime below the freezing curve. Such demixing has been observed for globular proteins, but for colloids it appears to be pre-empted by the appearance of a gel. In this paper, we study the effect of additional long-range attractions on the phase behavior of spheres with short-ranged attraction. We find that such attractions can shift the (metastable) fluid-fluid critical point out of the gel region. As this metastable critical point may be important for crystal nucleation, our results suggest that long-ranged attractive forces may play an important role in the crystallization of globular proteins. However, in colloids, where refractive index matching is often used to switch off long-ranged dispersion forces, gelation is likely to inhibit phase separation.Comment: EURO-LATEX, 6 pages, 2 figure

Lamellar and inverse micellar structures of skin lipids: Effect of templating

The outermost layer of skin, the stratum corneum (SC), comprises rigid corneocytes in a layered lipid matrix. Using atomistic simulations we find that the equilibrium phase of the SC lipids is inverse micellar. A model of the corneocyte is used to demonstrate that lamellar layering is induced by the patterned corneocyte wall. The inverse micellar phase is consistent with in vivo observations in the lacunar spaces and at the stratum granulosum - SC boundary region, and suggests a functional role in the lipid synthesis pathway in vivo.Comment: pdflatex 5 pages, 10 page supplementary material. Published Physical Review Letters. Added link to website with animation

Complete structure of an epithelial keratin dimer: implications for intermediate filament assembly

Keratins are cytoskeletal proteins that hierarchically arrange into filaments, starting with the dimer sub-unit. They are integral to the structural support of cells, in skin, hair and nails. In skin, keratin is thought to play a critical role in conferring the barrier properties and elasticity of skin. In general, the keratin dimer is broadly described by a tri-domain structure: a head, a central rod and a tail. As yet, no atomistic-scale picture of the entire dimer structure exists; this information is pivotal for establishing molecular-level connections between structure and function in intermediate filament proteins. The roles of the head and tail domains in facilitating keratin filament assembly and function remain as open questions. To address these, we report results of molecular dynamics simulations of the entire epithelial human K1/K10 keratin dimer. Our findings comprise: (1) the first three-dimensional structural models of the complete dimer unit, comprising of the head, rod and tail domains; (2) new insights into the chirality of the rod-domain twist gained from analysis of the full domain structure; (3) evidence for tri-subdomain partitioning in the head and tail domains; and, (4) identification of the residue characteristics that mediate non-covalent contact between the chains in the dimer. Our findings are immediately applicable to other epithelial keratins, such as K8/K18 and K5/K14, and to intermediate filament proteins in general

Charge-Density-Wave Ordering in the Metal-Insulator Transition Compound PrRu4P12

X-ray and electron diffraction measurements on the metal-insulator (M-I) transition compound PrRu$_4$P$_{12}$ have revealed the emergence of a periodic ordering of charge density around the Pr atoms. It is found that the ordering is associated with the onset of a low temperature insulator phase. These conclusions are supported by the facts that the space group of the crystal structure transforms from Im$\bar{3}$ to Pm$\bar{3}$ below the M-I transition temperature and also that the temperature dependence of the superlattice peaks in the insulator phase follows the squared BCS function. The M-I transition could be originated from the perfect nesting of the Fermi surface and/or the instability of the $f$ electrons.Comment: 4 pages, 5 figures, Phys. Rev. B (2004) (in press

Water permeation through stratum corneum lipid bilayers from atomistic simulations

Stratum corneum, the outermost layer of skin, consists of keratin filled rigid non-viable corneocyte cells surrounded by multilayers of lipids. The lipid layer is responsible for the barrier properties of the skin. We calculate the excess chemical potential and diffusivity of water as a function of depth in lipid bilayers with compositions representative of the stratum corneum using atomistic molecular dynamics simulations. The maximum in the excess free energy of water inside the lipid bilayers is found to be twice that of water in phospholipid bilayers at the same temperature. Permeability, which decreases exponentially with the free energy barrier, is reduced by several orders of magnitude as compared to with phospholipid bilayers. The average time it takes for a water molecule to cross the bilayer is calculated by solving the Smoluchowski equation in presence of the free energy barrier. For a bilayer composed of a 2:2:1 molar ratio of ceramide NS 24:0, cholesterol and free fatty acid 24:0 at 300K, we estimate the permeability P=3.7e-9 cm/s and the average crossing time \tau_{av}=0.69 ms. The permeability is about 30 times smaller than existing experimental results on mammalian skin sections.Comment: latex, 8 pages, 6 figure

Variaciones hematológicas y de presión sanguínea en perros después de una picadura de abejas

RESUMEN Objetivo. El objetivo de este estudio fue determinar los cambios hematológicos y de presión arterial en perros después de una picadura cutánea de abejas. Material y métodos. Se utilizaron 10 perros adultos, a los cuales se les inoculó veneno de abeja mediante una picadura cutánea controlada. De cada animal se extrajo una muestra de sangre previa y los 15 y 300 minutos post inoculación. Se registró la presión arterial sistólica (PAS), diastólica (PAD), media (PAM) y de pulso (PP) desde 15 minutos previos hasta 45 minutos posteriores a la inoculación. Resultados. El recuento de eritrocitos, el hematocrito y la concentración de hemoglobina se redujeron a los 15 minutos post-inoculación (p0.05). Conclusiones. La picadura cutánea de abejas produce un descenso transitorio del recuento de eritrocitos, hematocrito y concentración de hemoglobina, junto con una disminución en el recuento de reticulocitos y del recuento relativo de eosinófilos, sin alterar mayormente la presión sanguínea

Relativistic predictions of spin observables for exclusive proton knockout reactions

Within the framework of the relativistic distorted wave impulse approximation (DWIA), we investigate the sensitivity of complete sets of polarization transfer observables for exclusive proton knockout from the 3s$_{1/2}$, 2d$_{3/2}$ and 2d$_{5/2}$ states in $^{208}$Pb, at an incident laboratory kinetic energy of 202 MeV, and for coincident coplanar scattering angles ($28.0^{\circ}$, $-54.6^{\circ}$), to different distorting optical potentials, finite-range (FR) versus zero-range (ZR) approximations to the DWIA, as well as medium-modified meson-nucleon coupling constants and meson masses. Results are also compared to the nonrelativistic DWIA predictions based on the Schr\"{o}dinger equation.Comment: Submitted for publication to Physicical Review C, 23 pages, 7 figure