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|Title:||Interaction of individual ions, ion-water clusters with aquaglyceroporin and aquaporin-1 channels|
|Author:||Al Garalleh, H.|
|Citation:||Journal of Computational and Theoretical Nanoscience, 2015; 12(8):1505-1511|
|Publisher:||American Scientific Publishers|
|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|
|Appears in Collections:||Mathematical Sciences publications|
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