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.

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.

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.

Effects of stochastic extension in ideal microcrack system

The effects of stochastic extension on the statistical evolution of the ideal microcrack system are discussed. First, a general theoretical formulation and an expression for the transition probability of extension process are presented, then the features of evolution in stochastic model are demonstrated by several numerical results and compared with that in deterministic model.

An Extension of Self-Organizing Maps to Categorical Data

Self-organizing maps (SOM) have been recognized as a powerful tool in data exploratoration, especially for the tasks of clustering on high dimensional data. However, clustering on categorical data is still a challenge for SOM. This paper aims to extend standard SOM to handle feature values of categorical type. A batch SOM algorithm (NCSOM) is presented concerning the dissimilarity measure and update method of map evolution for both numeric and categorical features simultaneously.

Cruise Report 67-S-3 (Bottomfish Extension)

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Northern range extension, abundance and distribution of Pacific coastal Bottlenose doplhins (Tursiops truncatus gilli) in Monterey Bay, California

Pacific coastal bottlenose dolphins (Tursiops truncatus gilli) have apparently moved to Monterey Bay as a result of a shift north of their known range. Between 1983 and 1993, 417 sightings were reported off central California. Eighty-four boat-based surveys, between October 1990 and November 1993, resulted in the photo-identification of 68 uniquely marked individuals. School size ranged between 2 and 35 animals (mean = 16.60, S.D. = 7.72). Forty-three (63%) of the dolphins identified were previously photographed in the Southern California Bight before 1989. Jolly-Seber population estimates indicated an increase in the Monterey Bay population from 1990 to 1993. At least 13 of the photo-identified dolphins were present in Monterey Bay throughout the study period. All but two of the calculated coefficients of association were 0.35, indicating a strong bond among resident animals. The occurrence of an El Niño from January 1992 to the end of 1993 may have affected the number of animals present in the bay: mean school size was significantly greater during El Niño.

An extension of the two dimensional JKR theory to the case with a large contact width

In the Hertz and JKR theories, parabolic assumptions for the rounded profiles of the sphere or cylinder are adopted under the condition that the contact radius (width) should be very small compared to the radius of the sphere or cylinder. However, a large contact radius (width) is often found in experiments even under a zero external loading. We aim at extending the plane strain JKR theory to the case with a large contact width. The relation between the external loading and the contact width is given. Solutions for the Hertz, JKR and rounded-profile cases are compared and analyzed. It is found that when the ratio of a/R is approximately larger than about 0.4, the parabolic assumptions in the Hertz and JKR theories are no longer valid and the exact rounded profile function should be used.