The virtual mass of an oblate-ellipsoidal bubble

A semi-analytical solution is presented for the virtual mass coefficient of an oblate-ellipsoidal bubble rising in liquid. The solution was found to be a function of Weber number. The present solution compared well with the numerical solution of the lattice Boltzmann method and the analytical solutions of other investigators.     

Existence and global bounds for a fluid model of plasma display technology

This article considers the fluid model for the discharge of plasma particle species in display technology. The fluid equations are coupled with Poisson's equation, which describes the effect of the charged particles on the electric field. The diffusion and mobility coefficients for the positive ion particles depend on the electric field, while those for the electrons depend on the electron mean energy. The reaction rates are proportional to the products of the densities of the reacting particles involved in the particular ionization, conversion or recombination reactions. Moreover, the ionization coefficients are dependent on the electric field, which varies spatially and temporally. The main ionization and discharge reactions are described by an initial-boundary value problem for a system of coupled parabolic–elliptic partial differential equations. The system is first analyzed by upper–lower solution method. By means of the a priori bounds obtained for an arbitrary time, the existence of solution for the initial-boundary value problem is proved in an appropriate Hölder space.     

A Practical See-Through Head Mounted Display Using a Holographic Optical Element

This paper describes a practical method for design and fabrication of holographic optical elements (HOEs) as off-axis imaging optics. The authors have designed and fabricated a compact glass-like and see-through display using HOE and a total internal reflection prism. Observers can see through the display because wavelength selectivity of the HOE provides high transparency. Wave front of the HOE is designed by commercial software, though the actual fabrication method is not provided. The authors propose a practical method to fabricate HOEs, which can be applied to a wide range of imaging optics.This paper was originally presented at the 2nd International Conference on Optical Design and Fabrication, ODF2000 which was held on November 15–17, 2000 at the International Conference Center, Tokyo, Waseda University, Japan.     

多孔介质中流动参数的三维显示

本文利用当今三维图形工作站提供的最新视觉化技术，动态显示多孔介质中流动的原理和方法，主要探讨三个问题：（１）改进参数场图像化的质量。力求以逼真的，生活化的三维图形显示参数场的分布；（２）尽可能加快动态显示速度，力求以更强的动感显示出流动过程中参数场的变化规律；（３）尽可能丰富图形编辑功能，提高人机联作交互性。     

Amperometric l-glutamate biosensor based on bacterial cell-surface displayed glutamate dehydrogenase

A novel l-glutamate biosensor was fabricated using bacteria surface-displayed glutamate dehydrogenase (Gldh-bacteria). Here the cofactor NADP⁺-specific dependent Gldh was expressed on the surface of Escherichia coli using N-terminal region of ice nucleation protein (INP) as the anchoring motif. The cell fractionation assay and SDS-PAGE analysis indicated that the majority of INP-Gldh fusion proteins were located on the surface of cells. The biosensor was fabricated by successively casting polyethyleneimine (PEI)-dispersed multi-walled carbon nanotubes (MWNTs), Gldh-bacteria and Nafion onto the glassy carbon electrode (Nafion/Gldh-bacteria/PEI-MWNTs/GCE). The MWNTs could not only significantly lower the oxidation overpotential towards NAPDH, which was the product of NADP⁺ involving in the oxidation of glutamate by Gldh, but also enhanced the current response. Under the optimized experimental conditions, the current–time curve of the Nafion/Gldh-bacteria/PEI-MWNTs/GCE was performed at +0.52 V (vs. SCE) by amperometry varying glutamate concentration. The current response was linear with glutamate concentration in two ranges (10 μM–1 mM and 2–10 mM). The low limit of detection was estimated to be 2 μM glutamate (S/N = 3). Moreover, the proposed biosensor is stable, specific, reproducible and simple, which can be applied to real samples detection.     

Orthogonal Surface Tags for Whole‐Cell Biocatalysis

We herein describe the engineering of E. coli strains that display orthogonal tags for immobilization on their surface and overexpress a functional heterologous “protein content” in their cytosol at the same time. Using the outer membrane protein Lpp‐ompA, cell‐surface display of the streptavidin‐binding peptide, the SpyTag/SpyCatcher system, or a HaloTag variant allowed us to generate bacterial strains that can selectively bind to solid substrates, as demonstrated with magnetic microbeads. The simultaneous cytosolic expression of functional content was demonstrated for fluorescent proteins or stereoselective ketoreductase enzymes. The latter strains gave high selectivities for specific immobilization onto complementary surfaces and also in the whole‐cell stereospecific transformation of a prochiral C_S‐symmetric nitrodiketone.     

Virtual screening of B-Raf kinase inhibitors: A combination of pharmacophore modelling,molecular docking, 3D-QSAR model and binding free energy calculation studies

B-Raf kinase has been identified as an important target in recent cancer treatment. In order to discover structurally diverse and novel B-Raf inhibitors (BRIs), a virtual screening of BRIs against ZINC database was performed by using a combination of pharmacophore modelling, molecular docking, 3D-QSAR model and binding free energy (ΔG_bind) calculation studies in this work. After the virtual screening, six promising hit compounds were obtained, which were then tested for inhibitory activities of A375 cell lines. In the result, five hit compounds show good biological activities (IC₅₀ < 50 μM). The present method of virtual screening can be applied to find structurally diverse inhibitors, and the obtained five structurally diverse compounds are expected to develop novel BRIs.     

Discovery of potential inhibitor against human acetylcholinesterase: a molecular docking and molecular dynamics investigation

Alzheimer’s disease (AD) is a progressive neurodegenerative disease of central nervous system among elderly people. Human acetylcholinesterase (hAChE), an important enzyme in neuronal signaling, is responsible for the degradation of acetylcholine which in turn prevents the post synaptic signal transmissions. hAChE has been an attractive target of drug discovery for the search of therapeutics against AD. In the recent past hAChE has become hot target for the investigation of new potential therapeutics. We performed virtual screening of entire database against hAChE. Further, the extra precision molecular docking was carried out to refine the docking results and the best complex was passed for molecular dynamics simulations in order of understanding the hAChE dynamics and its behavior in complex with the ligand which corroborate the outcomes of virtual screening. This also provides binding free energy data that establishes the ligands efficiency for inhibiting hAChE. The computational findings discussed in this paper provide initial information of inhibitory effects of ligand, (drugbank entry DB00983), over hAChE.     

Understanding Molecular Dynamics with Stochastic Processes via Real or Virtual Dynamics

Molecular dynamics with the stochastic process provides a convenient way to compute structural and thermodynamic properties of chemical, biological, and materials systems. It is demonstrated that the virtual dynamics case that we proposed for the Langevin equation[J. Chem. Phys. 147 , 184104 (2017)] in principle exists in other types of stochastic thermostats as well. The recommended "middle" scheme[J. Chem. Phys. 147 , 034109 (2017)] of the Andersen thermostat is investigated as an example. As shown by both analytic and numerical results, while the real and virtual dynamics cases approach the same plateau of the characteristic correlation time in the high collision frequency limit, the accuracy and efficiency of sampling are relatively insensitive to the value of the collision frequency in a broad range. After we compare the behaviors of the Andersen thermostat to those of Langevin dynamics, a heuristic schematic representation is proposed for understanding efficient stochastic thermostatting processes with molecular dynamics.