Molecular Dynamics Simulation of the Bio-Adhesion in Molecular Motors

Molecular dynamics (MD) simulation is employed to study the bio-adhesion in F1 ATP molecular motor. Histidine-peptide is widely used as linkage in micro systems because of its strong binding strength to metals. This paper focuses on the adhesion between a synthetic peptide containing 6xHis-tag (Gly-Gly-Lys-Gly-Gly-Lys-Gly-Gly-His-His-His-His-His-His) and metal substrate, which is used to define the position of the F1 ATP molecular motor on the metal substrate. It is shown that the binding strength between histidine and nickel substrate is the strongest, while that of copper is smaller and that of gold substrate is the smallest. From the result of simulation, we find that the stability of adhesion between histidine and the metal substate result of the ringed structure in histidine.

A special method to evaluate the strong adhesion between brittle coating and ductile substrate

The evaluation of the interfacial adhesion of coating system has always been a rough task. In this paper, a special testing method of cross-sectional indentation is applied on a model coating system, i.e. electroplated chromium on a steel substrate which is generally regarded as an example of materials pair with strong adhesion. Based on fractography analysis with SEM and interfacial stress simulation with FEM, it is found that interfacial shear stress may induce coating spalling. More interestingly, spalling location is sensitive to substrate pretreatment process. This shows the feasibility of cross-sectional indentation to distinguish interfacial strength at a high level.

Molecular dynamics simulation of adhesion forces in a dipalmitoylphosphatidylcholine membrane

Adhesion forces of Dipalmitoylphosphatidylcholine ( DPPC) membrane in the gel phase are investigated by molecular dynamics ( MD) simulation. In the simulations, individual DPPC molecules are pulled out of DPPC membranes with different rates and we get the maximum adhesion forces of DPPC membrane. We find that the maximum adhesion forces increase with pull rate, from about 400 to 700 pN when pull rates are from 0.001 to 0.03 nm/ps. We analyze the relationship between pull rate and adhesion forces of different origins using Brownian dynamics and notice that viscosity of solvent plays an important role in adhesion forces. Then we simulate the motion of a single DPPC molecule in solvent and it elucidates that the maximum drag force is almost linear with respect to the pull rate. We use Stokes' relation to describe the motion of a single DPPC molecule and deduce the effective length of a DPPC molecule. Conformational analyses indicate that the free energy variation of a DPPC molecule inside and outside of the DPPC membrane is an essential part of adhesion energy.

Orientation-Dependent Adhesion Strength Of A Rigid Cylinder In Non-Slipping Contact With A Transversely Isotropic Half-Space

Recently, Chen and Gao [Chen, S., Gao, H., 2007. Bio-inspired mechanics of reversible adhesion: orientation-dependent adhesion strength for non-slipping adhesive contact with transversely isotropic elastic materials. J. Mech. Phys. solids 55, 1001-1015] studied the problem of a rigid cylinder in non-slipping adhesive contact with a transversely isotropic solid subjected to an inclined pulling force. An implicit assumption made in their study was that the contact region remains symmetric with respect to the center of the cylinder. This assumption is, however, not self-consistent because the resulting energy release rates at two contact edges, which are supposed to be identical, actually differ from each other. Here we revisit the original problem of Chen and Gao and derive the correct solution by removing this problematic assumption. The corrected solution provides a proper insight into the concept of orientation-dependent adhesion strength in anisotropic elastic solids. (c) 2008 Elsevier Ltd. All rights reserved.

Stabilizing to disruptive transition of focal adhesion response to mechanical forces

Strong mechanical forces can, obviously, disrupt cell-cell and cell-matrix adhesions, e.g., cyclic uniaxial stretch induces instability of cell adhesion, which then causes the reorientation of cells away from the stretching direction. However, recent experiments also demonstrated the existence of force dependent adhesion growth (rather than dissociation). To provide a quantitative explanation for the two seemingly contradictory phenomena, a microscopic model that includes both integrin-integrin interaction and integrin-ligand interaction is developed at molecular level by treating the focal adhesion as an adhesion cluster. The integrin clustering dynamics and integrin-ligand binding dynamics are then simulated within one unified theoretical frame with Monte Carlo simulation. We find that the focal adhesion will grow when the traction force is higher than a relative small threshold value, and the growth is dominated by the reduction of local chemical potential energy by the traction force. In contrast, the focal adhesion will rupture when the traction force exceeds a second threshold value, and the rupture is dominated by the breaking of integrin-ligand bonds. Consistent with the experiments, these results suggest a force map for various responses of cell adhesion to different scales of mechanical force. PMID: 20542514

EVALUATION OF FILM-SUBSTRATE ADHESION VIA IMPACT USING COATED BULLETS

A method was devised to evaluate the adhesion between a film and a substrate. A front-end coated bullet is accelerated by a gas gun and hits the substrate of the specimen under test. The impact generates a compressive stress pulse that propagates toward the film. After transmission through the interface, part of the pulse is reflected on the free surface of the film, and tensile stress arises at the film-substrate interface, possibly inducing debonding of the film. This dynamic process was demonstrated analytically and simulated numerically by the finite element method. The results validate the initial concept and lay the foundation for further optimization of this method.

On a novel method of impact by a front-end-coated bullet to evaluate the interface adhesion between film and substrate

A preliminary experiment was carried out to validate the feasibility of the method of impact by a front-end-coated bullet to evaluate the interface adhesion between film and substrate. The theoretical description of the initiation, propagation and evolution of the stress pulse during impact was generalized and formulized. The effects of the crucial parameters on the interface stress were further investigated with FEM. The results found the promising prospect of the application of such a method and provided useful guidance for experimental design.

The study on the interface adhesion comparison of the MgF2, Al2O3, SiO2 and Ag thin films

Adhesion between the interface of pure silver thin film and three kinds of low refractive index coatings MgF2, Al2O3, SiO2 were compared in this article. The results indicated that the adhesion of Al2O3 and Ag was evidently superior to that of MgF2 and Ag, and the adhesion of MgF2 and Ag was evidently superior to that Of SiO2 and Ag. Reasons were analyzed accordingly. On the other hand, we compared the effect on the optical characteristic of Ag film when these three kinds of films were used as protective coatings and enhanced coatings. Considering the difference of the adhesion between Ag and MgF2, Al2O3, SiO2, suited uses are given for each other. © 2004 Elsevier B.V. All rights reserved.

Migration of mouse antibody-secreting hybridoma cells from blood to genital tract and its regulation by sex hormones are associated with the differential expression patterns of adhesion molecules and chemokines in the tract rather than in the antibody-secreting cells

To understand better the molecular mechanisms of differential migration of antibody-secreting cells (ASCs) into mouse genital tracts, and regulation by sex hormones, surface markers, hormone receptors and adhesion molecules in mouse SG2 and PA4 hybridoma cells, respectively, secreting IgG2b and polymeric IgA antibody were detected by flow cytometry or RT-PCR. Semiquantitative RT-PCR was also used for measuring mRNA expression of adhesion molecules and chemokines (VCAM-1, ICAM-1, P-selectin, JAM-1 and CXCL12) in genital tracts of various adult mouse groups. The mRNAs of androgen receptor, estrogen receptor beta and CXCR4 were expressed in the ASCs. Sex hormones had no effect on expression of these molecules in ASCs. Except for VCAM-1, mRNA of all examined genes was expressed in normal mouse genital tracts. The mean of relative amounts of ICAM-1 and CXCL12 mRNA in all examined organs of females were higher (2.1- and 1.9-fold) than those in males. After orchiectomy or ovariectomy, the expression of ICAM-1, CXCL12 and P-selectin mRNA in the examined organs increased, except JAM-1 in male and CXCL12 in female. Sex hormone treatment recovered the changes to normal levels of mRNA expression in many examined genital tissues. In combination with our previous work, preferential migration of ASCs into female genital tract and regulation of migration by sex hormones are associated with expression patterns of adhesion molecules and chemokines in genital tract rather than in ASCs. (C) 2006 Elsevier Ireland Ltd. All rights reserved.

Roles of substrate microorganisms and urease activities in wastewater purification in a constructed wetland system

A vertical/reverse-vertical flow constructed wetland system was set up in Wuhan, China, to study its treatment efficiency of polluted lake water. The numbers of substrate microorganisms and urease activities in the substrate of the constructed wetland were determined by plate counts and colorimetric analysis, respectively. The removal efficiencies of biochemical oxygen demands (BOD5). chemical oxygen demands (COD), total phosphorus (TP), total Kjeldahl nitrogen (TKN), and total suspended solids (TSS) were measured by EPA approved methodology. The results showed there were significant positive correlations (P < 0.05) between numbers of microorganism in the substrate and removal rates of TKN and CODCr. Meanwhile, there was significant positive correlation (P < 0.05) between urease activities and removal efficiencies of TKN and negative correlation between urease activities and removal efficiencies of BOD5. Substrate microorganisms and urease activities played key factors during purification processes and they could be utilized as indicator of wastewater treatment performances in the constructed wetland system. (C) 2004 Elsevier B.V. All rights reserved.

Microorganisms linked to Neoproterozoic microspar carbonate sedimentation in the Jilin-Liaoning area

Molar-tooth carbonate refers to a sort of rock that has ptygmatical folded structure comparable to the ivory. This kind of carbonate exists in a special time range (from Middle to Neoproterozoic). Its origin and the possibility to use it in stratigraphic correlation of the paleocontinent is the key task of the IGCP447, a project on Proterozoic molar tooth carbonates and the evolution of the earth (2001-2005). The importance lies in that the molar-tooth structure is the key to solving problems related to Precambrian biological and global geochemical events. The molar-tooth structure is associated with microorganisms. Development and recession of such carbonates have relations with the evolution process of early lives and abrupt changes in sea carbonate geochemistry. In recent years, based on researches on petrology, geochemistry and Sr isotope of molar-tooth carbonate in the Jilin-Liaoning and Xuzhou-Huaiyang area, the authors hold that it can be used as a marker for stratigraphic sequence and sedimentary facies analyses.

Microorganisms linked to Neoproterozoic microspar carbonate sedimentation in the Jilin-Liaoning area

Molar-tooth carbonate refers to a sort of rock that has ptygmatical folded structure comparable to the ivory. This kind of carbonate exists in a special time range (from Middle to Neoproterozoic). Its origin and the possibility to use it in stratigraphic correlation of the paleocontinent is the key task of the IGCP447, a project on Proterozoic molar tooth carbonates and the evolution of the earth (2001-2005). The importance lies in that the molar-tooth structure is the key to solving problems related to Precambrian biological and global geochemical events. The molar-tooth structure is associated with microorganisms. Development and recession of such carbonates have relations with the evolution process of early lives and abrupt changes in sea carbonate geochemistry. In recent years, based on researches on petrology, geochemistry and Sr isotope of molar-tooth carbonate in the Jilin-Liaoning and Xuzhou-Huaiyang area, the authors hold that it can be used as a marker for stratigraphic sequence and sedimentary facies analyses.

The Effects of Roughness on Adhesion Hysteresis

Adhesion hysteresis is defined as the difference between the work needed to separate two surfaces and that originally gained on bringing them together. Adhesion hysteresis is a common phenomenon in most surface/interface interactions. This paper studies the effects of surface roughness on adhesion hysteresis. We assumed that the surface asperity height distribution is Gaussian. Numerical simulations based on Fuller's model showed that adhesion hysteresis depended upon a single dimensionless parameter, the adhesion parameter, which represents the statistical average of a competition between the compressive forces exerted by the higher asperities, which are trying to separate the surfaces, and the adhesion forces of the lower asperities which are trying to hold the surfaces together. (C) Koninklijke Brill NV, Leiden, 2010

Size-Dependent Adhesion Strength of a Single Viscoelastic Fiber

Nano-fibrillar adhesives can adhere strongly to surfaces as a gecko does. The size of each fiber has significant effects on the adhesion enhancement, especially on rough surfaces. In the present study, we report the size effects on the normal and shear strength of adhesion for a single viscoelastic fiber. It is found that there exists a limited region of the critical sizes under which the interfacial normal or tangential tractions uniformly attain the theoretical adhesion strength. The region for a viscoelastic fiber under tension with similar material constants to a gecko's spatula is 135-255 nm and that under torque is 26.5-52 nm. This finding is significant for the development of artificial biomimetic attachment systems.