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DNA and Estrogen Receptor Interaction Revealed by the Fragment Molecular Orbital Method -Implementation of SCF Convergence-

Watanabe T., Inadomi Y., Tanaka S., Nagashima U., National Institute of Advanced Industrial and Science and Technology, JP
The fragment molecular orbital (FMO) method was applied to evaluate the interaction between estrogen response element (ERE) in DNA and DNA binding domain (DBD) of estrogen receptor (ER). In order to calculate the whole electronic [...]

Evaluation of Electric Impedance Spectra for Single Bio-Cells with Microfluidic Devices using Combined FEMLAB/HSPICE Simulated Models

Senez V., Yamamoto T., Poussard B., Fukuba T., Capron J.M., Fujii T., LIMMS/CNRS-IIS - University of Tokyo, JP
This paper describes a simple method to predict the electrical impedance spectrum of single & cultured cells in micro-devices. It can be used for the rapid design of micro-sensors as well as for more fundamental [...]

Molecular Simulation of DNA Microarrays – an Application of 2D particle mesh Ewald algorithm

Watanabe T., Kawata M., Nagashima U., National Institute of Advanced Industrial and Science and Technology, JP
We have developed the two-dimensional particle mesh Ewald (2D-PME) algorithm for molecular dynamics (MD) simulation, and applied it to have knowledge of the behavior of DNA and its interaction on microarrays, which crucial in the [...]

Mechanical and Electronic Properties of Nanoscale Semiconductors Studied by Density Functional TB and Path Probability Methods

Masuda-Jindo K., Hung V-V, Kikuchi R., Tokyo Institute of Technology, JP
The atomic and electronic structures of semiconductor heterostructures including steps, misfit dislocations and interface disorder are studied by using the density-functional tight-binding (TB) method. Atomic structures of misfit dislocations both edge type 1/2 (001) and [...]

A Comparison of Straight- and Branch-Chained Lipid Bilayers for the Static and Dynamic Properties: A molecular dynamics study

Shinoda W., Mikami M., Baba T., Hato M., National Institute of Advanced Industrial Science & Technology, JP
A bilayer composed of branched chain lipid molecules is generally believed to have high bilayer stability and low ion leakage. To understand how the chain branching affects the bilayer properties on the molecular level, two [...]

Proton Polarization on Pt Surface with Water Molecules

Yamamoto T., Ohnishi S., Watari N., NEC Fundamental Resreach Labs., JP
We present theoretical studies of atomic and electronic structures calculations of hydrogen at Pt surfaces with H2O molecules by focusing on the mechanism of proton polarization in the fuel cells system by the density functional [...]

Nanoscale Activated Field on Cermic Electret In Pseudobiological Environment

Nakamura S., Ueshima M., Kobayashi T., Yamashita K., Tokyo Medical and Dental University, JP
A pseudo-biological environment using simulated body fluid (SBF) has been widely accepted as an osteobonding estimation of biomaterial surfaces. In the present study, the interactions at the interface of the polarized HA surface and the [...]

Nano-sensors Based on Nanotubes: Deformed-nanotubes transport

Farajian A.A., Yakobson B.I., Mizuseki H., Kawazoe Y., Tohoku University, JP
The main purpose of the present work is to establishing a correspondence between mechanical deformation and transport properties, which is presumably useful in nano-sensor applications. As a byproduct of this study, the potential differences in [...]

Novel Random Number Generators Based on Si Nanodevices for Mobile Communication Security Systems

Fujita S., Uchida K., Yasuda S., Ohba R., Tanamoto T., Toshiba Corp, JP
We propose a new application of silicon (Si) nanodevices that can generate high-quality random numbers (HQ-RNs) for mobile communication security systems, one of most important elements of information technology (IT). We have successfully demonstrated the [...]

Nano-granular FePt-Ag Composite Films- Its Magnetic and Magnetotransport Properties

Zhang Z., Suzuki T., Kang K., Omoto N., Toyota Technological Institute, JP
Ordered FePt films have a very high magnetic anisotropy [1]. By annealing FePt/Ag multilayer precursor films, isolated FePt nano particles have been obtained with high perpendicular magnetic anisotropy, which opens a window for ultra-high-density magnetic [...]

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