Please use this identifier to cite or link to this item: https://hdl.handle.net/2440/115768
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Type: Journal article
Title: Interaction of individual ions, ion-water clusters with aquaglyceroporin and aquaporin-1 channels
Author: Al Garalleh, H.
Thamwattana, N.
Cox, B.
Hill, J.
Citation: Journal of Computational and Theoretical Nanoscience, 2015; 12(8):1505-1511
Publisher: American Scientific Publishers
Issue Date: 2015
ISSN: 1546-1955
1546-1963
Statement of
Responsibility: 
Hakim Al Garalleh, Ngamta Thamwattana, Barry J. Cox, and James M. Hill
Abstract: Aquaglyceroporin and aquaporin-1 channels provide a mechanism for the transport of water and ions through cell membranes. The present paper proposes a precise geometric structure of these channels to explain their mechanism as selective channels. It provides a mathematical model to deduce the potential energy of the interaction between non-bonded individual molecules, such as calcium chloride and sodium chloride, interacting with aquaglyceroporin and aquaporin-1 channels, which are assumed to comprise two flaired right cylinders. We evaluate the potential energy both as arising from the calcium, sodium and chlorine as discrete atoms, interacting with the aquaglycero- porin and aquaporin-1 channels which are assumed to have atoms uniformly distributed throughout their volumes. Furthermore, we investigate the van der Waals interaction between ion-water cluster and aquaporins. We present numerical results describing the acceptance of individual molecules inside the aquaporin channels. Our calculations predict that calcium, sodium and chlorine ions and ion-water clusters are readily accepted into the aquaporins.
Keywords: Aquaporins (AQPs); Aquaporin-1 (AQP1); Aquaglyceroporin (GlpF); Calcium (Ca+2); Chlorine (Cl−) and Sodium (Na+); Ion-Water Cluster; Lennard-Jones Potential; van der Waals Interaction
Rights: Copyright © 2015 American Scientific Publishers. All rights reserved
DOI: 10.1166/jctn.2015.3921
Grant ID: ARC
Appears in Collections:Aurora harvest 8
Mathematical Sciences publications

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