Adsorption of His-tagged peptide to Ni, Cu and Au (100) surfaces: Molecular dynamics simulation

Molecular dynamics (MD) simulations are performed to study the interaction of His-tagged peptide with three different metal surfaces in explicit water. The equilibrium properties are analyzed by using pair correlation functions (PCF) to give an insight into the behavior of the peptide adsorption to metal surfaces in water solvent. The intermolecular interactions between peptide residues and the metal surfaces are evaluated. By pulling the peptide away from the peptide in the presence of solvent water, peeling forces are obtained and reveal the binding strength of peptide adsorption on nickel, copper and gold. From the analysis of the dynamics properties of the peptide interaction with the metal surfaces, it is shown that the affinity of peptide to Ni surface is the strongest, while on Cu and An the affinity is a little weaker. In MD simulations including metals, the His-tagged region interacts with the substrate to an extent greater than the other regions. The work presented here reveals various interactions between His-tagged peptide and Ni/Cu/Au surfaces. The interesting affinities and dynamical properties of the peptide are also derived. The results give predictions for the structure of His-tagged peptide adsorbing on three different metal surfaces and show the different affinities between them, which assist the understanding of how peptides behave on metal surfaces and of how designers select amino sequences in molecule devices design. (c) 2007 Elsevier Ltd. All rights reserved.

Absolute measurement of roughness and lateral-correlation length of random surfaces by use of the simplified model of image-speckle contrast

We present a method of image-speckle contrast for the nonprecalibration measurement of the root-mean-square roughness and the lateral-correlation length of random surfaces with Gaussian correlation. We use the simplified model of the speckle fields produced by the weak scattering object in the theoretical analysis. The explicit mathematical relation shows that the saturation value of the image-speckle contrast at a large aperture radius determines the roughness, while the variation of the contrast with the aperture radius determines the lateral-correlation length. In the experimental performance, we specially fabricate the random surface samples with Gaussian correlation. The square of the image-speckle contrast is measured versus the radius of the aperture in the 4f system, and the roughness and the lateral-correlation length are extracted by fitting the theoretical result to the experimental data. Comparison of the measurement with that by an atomic force microscope shows our method has a satisfying accuracy. (C) 2002 Optical Society of America.

Improved BCS-type pairing for the relativistic mean-field theory

A density-dependent delta interaction (DDDI) is proposed in the formalism of BCS-type pairing correlations for exotic nuclei whose Fermi surfaces are close to the threshold of the unbound state. It provides the possibility to pick up those states whose wave functions are concentrated in the nuclear region by making the pairing matrix elements state dependent. On this basis, the energy level distributions, occupations, and ground-state properties are self-consistently studied in the RMF theory with deformation. Calculations are performed for the Sr isotopic chain. A good description of the total energy per nucleon, deformations, two-neutron separation energies and isotope shift from the proton drip line to the neutron drip line is found. Especially, by comparing the single-particle structure from the DDDI pairing interaction with that from the constant pairing interaction for a very neutron-rich nucleus it is demonstrated that the DDDI pairing method improves the treatment of the pairing in the continuum.

MC3T3-E1 Osteoblasts Adhesion to Micropatterned Surfaces

细胞在材料表面的黏附对细胞的增殖和分化起重要作用。格式化表面提供了对细胞在基底的空间分布和动附进行控制的方法。利用微制作形成的格式模板,分别以微接触转印法和微流道法形成格式化表面,使MC3T3-E1成骨细胞以一定的格式黏附于表面上。在微接触转印法形成的含二氯二甲基硅烷(DMS)的疏水区域和不含DMS的亲水区域相间隔的表面,细胞优先在亲水区域黏附。在微流道法形成的胶原和白蛋白格式化表面,细胞优先黏附于含胶原区域。结果还表明微格式化表面可以用于研究表面的物理化学性质对细胞的黏附等功能的影响。

Control of Mean and Fluctuating Forces on a Circular Cylinder at High Reynolds Numbers

A narrow strip is used to control mean and fluctuating forces on a circular cylinder at Reynolds numbers from 2.0 x 10(4) to 1.0 x 10(5). The axes of the strip and cylinder are parallel. The control parameters are strip width ratio and strip position characterized by angle of attack and distance from the cylinder. Wind tunnel tests show that the vortex shedding from both sides of the cylinder can be suppressed, and mean drag and fluctuating lift on the cylinder can be reduced if the strip is installed in an effective zone downstream of the cylinder. A phenomenon of mono-side vortex shedding is found. The strip-induced local changes of velocity profiles in the near wake of the cylinder are measured, and the relation between base suction and peak value in the power spectrum of fluctuating lift is studied. The control mechanism is then discussed from different points of view.

Influence Of Free Surface Curvature Of A Liquid Layer On The Critical Marangoni Convection

The Pearson instability was suggested to discuss the onset of Marangoni convection in a liquid layer of large Prandtl number under an applied temperature difference perpendicular to the free surface in the microgravity environment. In this case, the temperature distribution on the curved free surface is nonuniform, and the thermocapillary convection is induced and coupled with the Marangoni convection. In the present paper the effect of volume ratio of the liquid layer on the critical Marangoni convection and the corresponding spatial variation of the convection structure in zero-gravity condition were numerically investigated by two-dimensional model. (C) 2008 Elsevier Ltd. All rights reserved.

Surface Stress Induced By Adatoms Adsorption On Solid Surfaces

Based on the statistical thermodynamics theory, a theoretical model of adsorbate induced surface stress of adatoms adsorption on solid surface is presented. For the low coverage, the interaction between the adsorbed molecules is entirely negligible and the adsorption induced surface stress is found to be the function of the coverage and the adsorption energy change with strain. For the high coverage, the adsorbate-adsorbate interaction contributes to the adsorption-induced surface stress effectively. In the case of carbon adsorption on the Ni(100) surface, the value of 0.5 is obtained as a characteristic coverage to decide whether to take the interaction between the adsorabtes into consideration and the results also show that the adsorption induces a compressive surface stress.

An Electrowetting Model For Rough Surfaces Under Low Voltage

Electrowetting is one of the most effective methods to enhance wettability. A significant change of contact angle for the liquid droplet can result from the surface microstructures and the external electric field, without altering the chemical composition of the system. During the electrowetting process on a rough surface, the droplet exhibits a sharp transition from the Cassie-Baxter to the Wenzel regime at a low critical voltage. In this paper, a theoretical model for electrowetting is put forth to describe the dynamic electrical control of the wetting behavior at the low voltage, considering the surface topography. The theoretical results are found to be in good agreement with the existing experimental results. (c) Koninklijke Brill NV, Leiden, 2008.

Energy Dissipation In Fracture Of Bulk Metallic Glasses Via Inherent Competition Between Local Softening And Quasi-Cleavage

Compression, tension and high-velocity plate impact experiments were performed on a typical tough Zr41.2Ti13.8Cu10Ni12.5Be22.5 (Vit 1) bulk metallic glass (BMG) over a wide range of strain rates from similar to 10(-4) to 10(6) s(-1). Surprisingly, fine dimples and periodic corrugations on a nanoscale were also observed on dynamic mode I fracture surfaces of this tough Vit 1. Taking a broad overview of the fracture patterning of specimens, we proposed a criterion to assess whether the fracture of BMGs is essentially brittle or plastic. If the curvature radius of the crack tip is greater than the critical wavelength of meniscus instability [F. Spaepen, Acta Metall. 23 615 (1975); A.S. Argon and M. Salama, Mater. Sci. Eng. 23 219 (1976)], microscale vein patterns and nanoscale dimples appear on crack surfaces. However, in the opposite case, the local quasi-cleavage/separation through local atomic clusters with local softening in the background ahead of the crack tip dominates, producing nanoscale periodic corrugations. At the atomic cluster level, energy dissipation in fracture of BMGs is, therefore, determined by two competing elementary processes, viz. conventional shear transformation zones (STZs) and envisioned tension transformation zones (TTZs) ahead of the crack tip. Finally, the mechanism for the formation of nanoscale periodic corrugation is quantitatively discussed by applying the present energy dissipation mechanism.

Growth of zero-mean-shear turbulent-mixed layer with suspended particles in a 2-layer fluid system

The growth behaviour of zero-mean-shear turbulent-mixed layer containing suspended solid particles has been studied experimentally and analysed theoretically in a two-layer fluid system. The potential model for estimating the turbulent entrainment rate of the mixed layer has also been suggested, including the results of the turbulent entrainment for pure two-layer fluid. The experimental results show that the entrainment behaviour of a mixed layer with the suspended particles is well described by the model. The relationship between the entrainment distance and the time, and the variation of the dimensionless entrainment rate E with the local Richardson number Ri1 for the suspended particles differ from that for the pure two-layer fluid by the factors-eta-1/5 and eta-1, respectively, where eta = 1 + sigma-0-DELTA-rho/DELTA-rho-0.

Thermophoretic deposition of particles onto cold surfaces of bodies in two-dimensional and axisymmetric flows

The problem of thermophoretic deposition of small particles onto cold surfaces is studied in two-dimensional and axisymmetric flow fields. The particle concentration equation is solved numerically together with the momentum and energy equations in the laminar boundary layer with variable density effect included. It is shown explicitly to what extent the particle concentration and deposition rate at the wall are influenced by the density variation effect for external flow past bodies. The general numerical procedure is given for two-dimensional and axisymmetric cases and is illustrated with examples of thermophoretic deposition of particles in flows past a cold cylinder and a sphere.

Thermophoretic deposition of particles in gas flowing over cold surfaces

Some of the calculated parameters show a maximum value for specimens heat-treated at about 100°C. The tensile strength is, for instance, substantially higher for specimens shock-heated at 100°C than for non-heated ones. Another striking feature is the initial decrease of the diameter observed in specimens heat-treated at 600°C when loaded in uniaxial compression. Both optical microscopy and DSA experiments reveal a large increase in microcracking when the heat-treatment temperature exceeds 300°C.