A simple method for fabricating micro/nanoscale hierarchical structures is presented using a two-step temperature-directed capillary molding technique. This lithographic method involves a sequential application of the molding process in which a uniform polymer-coated surface is molded with a patterned mold by means of capillary force above the glass transition temperature of the polymer. Various microstructures and nanostructures were fabricated with minimum resolution down to approximately 50 nm with good reproducibility. Also contact angle measurements of water indicated that two wetting states coexist on a multiscale hierarchical structure where heterogeneous wetting is dominant for the microstructure and homogeneous wetting for the nanostructure. A simple theoretical model combining these two wetting states was presented, which was in good agreement with the experimental data. Using this approach, multiscale hierarchical structures for biomimetic functional surfaces can be fabricated with precise control over geometrical parameters and the wettability of a solid surface can be tailored in a controllable manner.

Inhibition effects in UV radiation curing caused by oxygen are used for fabricating monolithic, micro/nanoscale hierarchical polymer structures via a two‐step UV‐assisted capillary molding technique (see image). Using this approach, various dual‐scale polymer structures are created within a few minutes with precise control over geometrical parameters.

In this article, an enhanced version of GalaxyDock protein-ligand docking program is introduced. GalaxyDock performs conformational space annealing (CSA) global optimization to find the optimal binding pose of a ligand both in the rigid-receptor mode and the flexible-receptor mode. Binding pose prediction has been improved compared to the earlier version by the efficient generation of high-quality initial conformations for CSA using a predocking method based on a beta-complex derived from the Voronoi diagram of receptor atoms. Binding affinity prediction has also been enhanced by using the optimal combination of energy components, while taking into consideration the energy of the unbound ligand state. The new version has been tested in terms of binding mode prediction, binding affinity prediction, and virtual screening on several benchmark sets, showing improved performance over the previous version and AutoDock, on which the GalaxyDock energy function is based. GalaxyDock2 also performs better than or comparable to other state-of-the-art docking programs. GalaxyDock2 is freely available at http://galaxy.seoklab.org/softwares/galaxydock.html.

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Exact Schrodinger wave functions of a time-dependent harmonic oscillator are found in analytically closed forms for the eigenstates of the generalized invariant and the instantaneous Hamiltonian. The cyclic initial state (CIS) and corresponding nonadiabatic Berry phase are also found exactly for a 7-periodic Hamiltonian. There may exist N~-periodic CISs and corresponding Berry phases, but the cases with unstable classical motions do not have CISs in which cases Berry phases do not exist.PACS number(s): 03.65.Ca g+ (t) = 2M (t) cu (t)gp (t) .Moreover, in its most general solutions, g (t) has the following form [8]:

By using the brick wall method we calculate a free energy and the entropy of the scalar field in rotating black holes. As one approaches the stationary limit surface rather than the event horizon in a comoving frame, these become divergent. Only when the field is comoving with the black hole ͑i.e., ⍀ 0 ϭ⍀ H ) do the free energy and entropy become divergent at the event horizon. In the Hartle-Hawking state the leading terms of the entropy are A(1/h)ϩBln(h)ϩ finite, where h is the cutoff in the radial coordinate near the horizon. In terms of the proper distance cutoff ⑀ it is written as SϭNA H /⑀ 2 . The origin of the divergence is that the density of states on the stationary surface and beyond it diverges.

Dual-specificity protein phosphatases (DUSPs), which dephosphorylate both phosphoserine/threonine and phosphotyrosine, play vital roles in immune activation, brain function and cell-growth signalling. A family-wide structural library of human DUSPs was constructed based on experimental structure determination supplemented with homology modelling. The catalytic domain of each individual DUSP has characteristic features in the active site and in surface-charge distribution, indicating substrate-interaction specificity. The active-site loop-to-strand switch occurs in a subtype-specific manner, indicating that the switch process is necessary for characteristic substrate interactions in the corresponding DUSPs. A comprehensive analysis of the activity-inhibition profile and active-site geometry of DUSPs revealed a novel role of the active-pocket structure in the substrate specificity of DUSPs. A structure-based analysis of redox responses indicated that the additional cysteine residues are important for the protection of enzyme activity. The family-wide structures of DUSPs form a basis for the understanding of phosphorylation-mediated signal transduction and the development of therapeutics.

A variationally coupled BEM-FEM is developed which can be used to analyse dynamic response, including free-surface sloshing motion, of 3-D rectangular liquid storage tanks subjected to horizontal ground excitation. The tank structure is modelled by the finite element method and the fluid region by the indirect boundary element method. By minimizing a single Lagrange function defined for the entire system, the governing equation with symmetric coefficient matrices is obtained. To verify the newly developed method, the analysis results are compared with the shaking-table test data of a 3-D rectangular tank model and with the solutions by the direct BEM-FEM. Analytical studies are conducted on the dynamic behaviour of 3-D rectangular tanks using the method developed. In particular, the characteristics of the sloshing response, the effect of the rigidity of adjacent walls on the dynamic response of the tanks and the orthogonal effects are investigated.