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Interaction of individual ions, ion-water clusters with aquaglyceroporin and aquaporin-1 channels

Journal Article


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 aquaglyceroporin 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.

UOW Authors


  •   Al Garalleh, Hakim Abdul (external author)
  •   Thamwattana, Natalie
  •   Cox, Barry J. (external author)
  •   Hill, James (external author)

Publication Date


  • 2015

Citation


  • Al Garalleh, H., Thamwattana, N., Cox, B. J. & Hill, J. M. (2015). Interaction of individual ions, ion-water clusters with aquaglyceroporin and aquaporin-1 channels. Journal of Computational and Theoretical Nanoscience, 12 (8), 1505-1511.

Scopus Eid


  • 2-s2.0-84931325183

Ro Metadata Url


  • http://ro.uow.edu.au/eispapers/5290

Number Of Pages


  • 6

Start Page


  • 1505

End Page


  • 1511

Volume


  • 12

Issue


  • 8

Place Of Publication


  • United States

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 aquaglyceroporin 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.

UOW Authors


  •   Al Garalleh, Hakim Abdul (external author)
  •   Thamwattana, Natalie
  •   Cox, Barry J. (external author)
  •   Hill, James (external author)

Publication Date


  • 2015

Citation


  • Al Garalleh, H., Thamwattana, N., Cox, B. J. & Hill, J. M. (2015). Interaction of individual ions, ion-water clusters with aquaglyceroporin and aquaporin-1 channels. Journal of Computational and Theoretical Nanoscience, 12 (8), 1505-1511.

Scopus Eid


  • 2-s2.0-84931325183

Ro Metadata Url


  • http://ro.uow.edu.au/eispapers/5290

Number Of Pages


  • 6

Start Page


  • 1505

End Page


  • 1511

Volume


  • 12

Issue


  • 8

Place Of Publication


  • United States