Empirical nanotube model for biological applications

Article Abstract:

An empirical model is developed in order to capture the electrostatics of finite-length single-walled armchair carbon nanotubes for biological applications. It is found that atomic partial charges on the tube edges dominate the interaction between the nanotube and the entering water molecule and polarization of the nanotube lowers the electrostatic energy of the water molecule inside the tube.

Electric properties, Water

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Monte Carlo and modified Tanford-Kirkwood results for macromolecular electrostatics calculations

Article Abstract:

The understanding of electrostatic interactions is an essential aspect of the complex correlation between structure and function of biological macromolecules. By comparison to Monte Carlo simulations, it is shown that Tanford-Kirkwood (TK) predictions for the shifts in ion binding constants upon addition of salt become less reliable even at moderately macromolecular concentration.

Macromolecules, Monte Carlo method, Monte Carlo methods, Chemical properties

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Manipulating the optical properties of pyramidal nanoparticle arrays

Article Abstract:

The orientation-dependent optical properties of two-dimensional arrays of anisotropic metallic nanoparticles are described. The results have shown that arrays of aligned, pyramidal nanoparticles display orientation-dependent optical properties, which are sensitive to both the propagation wavevector and polarization direction.

Secondary Smelting, Refining, and Alloying of Nonferrous Metal (except Copper and Aluminum), Specialty Metals & Composites, Anisotropy, Metallic composites, Optical properties, Structure, Lithography, Electron beam, Electron beam lithography

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