Forced extension of P-selectin construct using steered molecular dynamics

P-selectin, a 70-nm-long cellular adhesive molecule, possesses elastic and extensible properties when neutrophils roll over the activated endotheliam of blood vessel in inflammatory reaction. Transient formation and dissociation of P-selectin/ligand bond on applied force of blood flow induces the extension of P-selectin and relevant ligands. Steered molecular dynamics simulations were performed to stretch a single P-selectin construct consisting of a lectin (Lec) domain and an epithelial growth factor (EGF)-like domain, where P-selectin construct was forced to extend in water with pulling velocities of 0.005-0.05 nm/ps and with constant forces of 1000-2500 pN respectively. Resulting force-extension profiles exhibited a dual-peak pattern on various velocities, while both plateaus and shoulders appeared in the extension-time profiles on various forces. The force or extension profiles along stretching pathways were correlated to the conformational changes, suggesting that the structural collapses of P-selectin Lec/EGF domains were mainly attributed to the burst of hydrogen bonds within the major beta sheet of EGF domain and the disruptions of two hydrophobic cores of Lee domain. This work furthers the understanding of forced dissociation of P-selectin/ligand bond.

A Salmonella Typhimurium-Typhi genomic chimera: a model to study Vi polysaccharide capsule function in vivo.

The Vi capsular polysaccharide is a virulence-associated factor expressed by Salmonella enterica serotype Typhi but absent from virtually all other Salmonella serotypes. In order to study this determinant in vivo, we characterised a Vi-positive S. Typhimurium (C5.507 Vi(+)), harbouring the Salmonella pathogenicity island (SPI)-7, which encodes the Vi locus. S. Typhimurium C5.507 Vi(+) colonised and persisted in mice at similar levels compared to the parent strain, S. Typhimurium C5. However, the innate immune response to infection with C5.507 Vi(+) and SGB1, an isogenic derivative not expressing Vi, differed markedly. Infection with C5.507 Vi(+) resulted in a significant reduction in cellular trafficking of innate immune cells, including PMN and NK cells, compared to SGB1 Vi(-) infected animals. C5.507 Vi(+) infection stimulated reduced numbers of TNF-α, MIP-2 and perforin producing cells compared to SGB1 Vi(-). The modulating effect associated with Vi was not observed in MyD88(-/-) and was reduced in TLR4(-/-) mice. The presence of the Vi capsule also correlated with induction of the anti-inflammatory cytokine IL-10 in vivo, a factor that impacted on chemotaxis and the activation of immune cells in vitro.

Barium-Functionalized Multiwalled Carbon Nanotube Yarns As Low-Work-Function Thermionic Cathodes

Barium-functionalized multiwalled carbon nanotube yarns were fabricated by drawing and twisting multiwalled carbon nanotube forests through a solution containing barium nitrate. After heat activation under vacuum, the functionalized yarns were enriched in barium oxide due to the high surface-to-volume ratio of the nanotubes. The cathodes exhibited good thermionic properties, with a work function as low as 1.73-2.06 eV and thermionic current density that exceeded 185 mA/cm(2) in a field of 850 V/5 mm at 1317 K. The barium-functionalized yarns had high tensile strength of up to 420 MPa and retained strength of similar to 250 MPa after a 2 h activation process. (C) 2008 American Institute of Physics.

On The Thermally Induced Interfacial Delamination Of A Segmented Coating

The thermally induced interfacial delamination problem of a segmented coating is investigated using finite element method (FEM). The coating-substrate system, modeled as a coated semi-infinite medium with periodic segmentation cracks within coating, is assumed to be exposed to convective cooling from surface. The failure criterion based on the interfacial fracture toughness is adopted, in which the energy release rate for an interface crack is considered to be the driving force for interfacial delamination extension. The results confirm that a segmented coating has higher delamination resistance than an intact one under the same thermal transients, as the segmentation crack spacing is smaller than a critical value. Based on dimensional analysis, sensitivity analyses of the crack driving force are also obtained as a function of various dimensionless parameters such as time, convection severity and material constants. These results may provide some helpful references for the integrity of coating-substrate systems under thermal loading. (C) 2007 Elsevier B.V. All rights reserved.

Semi-weight function method on computation of stress intensity factors in dissimilar materials

Semi-weight function method is developed to solve the plane problem of two bonded dissimilar materials containing a crack along the bond. From equilibrium equation, stress and strain relationship, conditions of continuity across interface and free crack surface, the stress and displacement fields were obtained. The eigenvalue of these fields is lambda. Semi-weight functions were obtained as virtual displacement and stress fields with eigenvalue-lambda. Integral expression of fracture parameters, K-I and K-II, were obtained from reciprocal work theorem with semi-weight functions and approximate displacement and stress values on any integral path around crack tip. The calculation results of applications show that the semi-weight function method is a simple, convenient and high precision calculation method.

Synchronization of modified Chua's circuit with x vertical bar x vertical bar function

This paper considers the chaos synchronization of the modified Chua's circuit with x vertical bar x vertical bar function. We firstly show that a couple of the modified Chua systems with different parameters and initial conditions can be synchronized using active control when the values of parameters both in drive system and response system are known aforehand. Furthermore, based on Lyapunov stability theory we propose an adaptive active control approach to make the states of two identical Chua systems with unknown constant parameters asymptotically synchronized. Moreover the designed controller is independent of those unknown parameters. Numerical simulations are given to validate the proposed synchronization approach.

Validation of component assembly model and extension to plasticity

Material potential energy is well approximated by '' pair-functional '' potentials. During calculating potential energy, the orientational and volumetric components have been derived from pair potentials and embedding energy, respectively. Slip results in plastic deformation, and slip component has been proposed accordingly. Material is treated as a component assembly, and its elastic, plastic and damage properties are reflected by different components respectively. Material constitutive relations are formed by means of assembling these three kinds of components. Anisotropy has been incorporated intrinsically via the concept of component. Theoretical and numerical results indicate that this method has the capacity of reproducing some results satisfactorily, with the advantages of physical explicitness, etc. (c) 2007 Elsevier Ltd. All rights reserved.

Self-consistent kinetic modeling of electron distribution function in a low-pressure inductively coupled plasma

Based upon the spatially inhomogeneous Boltzmann equation in two-term approximation coupled with electromagnetic and fluid model analysis for the recently developed inductively coupled plasma sources, a self-consistent electron kinetic model is developed. The electron distribution function, spatial distributions of the electron density and ionization rate are calculated and discussed.

Kinking of an interface crack between 2 dissimilar anisotropic elastic solids

A detailed analysis of kinking of an interface crack between two dissimilar anisotropic elastic solids is presented in this paper. The branched crack is considered as a distributed dislocation. A set of the singular integral equations for the distribution function of the dislocation density is developed. Explicit formulas of the stress intensity factors and the energy release rates for the branched crack are given for orthotropic bimaterials and misoriented orthotropic bicrystals. The role of the stress parallel to the interface, sigma0 is taken into account in these formulas. The interface crack can advance either by continued extension along the interface or by kinking out of the interface into one of the adjoining materials. This competition depends on the ratio of the energy release rates for interface cracking and for kinking out of the interface and the ratio of interface toughness to substrate toughness. Throughout the paper, the influences of the inplane stress sigma0 on the stress intensity factors and the energy release rates for the branched crack, which can significantly alter the conditions for interface cracking, are emphasized.

Crack extension and kinking in laminates and bicrystals

Singular fields at the tip of an interface crack in anisotropic solids are reviewed with emphasis on establishing a framework to quantify fracture resistance under mixed mode conditions. The concepts of mode mixity and surface toughness are unified by using generalized interface traction components. The similarity between the anisotropic theory and existing isotropic theory is shown. Explicit formulae are given for misoriented orthotropic bimaterials with potential applications envisioned including composite laminates and semiconductor crystals. Competition between crack extension along the interface and kinking into the substrate is investigated using a boundary layer formulation. Several case studies reveal the role of anisotropy. An explicit complex variable representation for orthotropic materials and a solution to a dislocation interacting with a crack are presented in two self-contained Appendices.