Mechanism of ion premeation in a model channel: Free energy surface and dynamics of [K.sup.+] ion transport in an anion-doped carbon nanotube
Article Abstract:
The mechanism of the ion premeation is investigated for an anion-doped carbon nanotube, as a model of the [K.sup.+], by analyzing the free energy surface and the dynamics of the ion premeation through the model channel. The analysis suggests that there exists an optimum combination of the length and the charge of the carbon nanotube for the most efficient ion premeation.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
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Proton transfer in bacteriorhodopsin: structure, excitation, IR spectra, and potential energy surface analyses by an ab initio QM/MM method
Article Abstract:
The structures, the optical properties, and the proton-transfer mechanism of bacteriorhodopsin (bR) are investigated by using ab initio QM/MM calculations. The analysis is made for the "environmental" effect from the molecules involved in this HBN on the geometry and the excitation spectrum of retinal.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2000
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Theory and procedures for finding a correct kinetic model for the bacteriorhodopsin photocycle
Article Abstract:
BR-photocycle is studied under a particular set of conditions viz, at pH near neutrality, 50 mM phosphate buffer and a temperature near 23 degrees. It is possible that under a different set of conditions, a different photocycle may occur, even one with reversible reaction steps.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2001
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