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Title: Equilibrium location for spherical DNA and toroidal cyclodextrin
Authors: Pakhapoom Sarapat
Duangkamon Baowan
James M. Hill
South Carolina Commission on Higher Education
University of South Australia
Mahidol University
Keywords: Biochemistry, Genetics and Molecular Biology;Chemistry;Engineering;Materials Science;Physics and Astronomy
Issue Date: 1-Jan-2018
Citation: Applied Nanoscience (Switzerland). Vol.8, No.3 (2018), 537-544
Abstract: © Springer-Verlag GmbH Germany, part of Springer Nature 2018. Cyclodextrin comprises a ring structure composed of glucose molecules with an ability to form complexes of certain substances within its central cavity. The compound can be utilised for various applications including food, textiles, cosmetics, pharmaceutics, and gene delivery. In gene transfer, the possibility of forming complexes depends upon the interaction energy between cyclodextrin and DNA molecules which here are modelled as a torus and a sphere, respectively. Our proposed model is derived using the continuum approximation together with the Lennard-Jones potential, and the total interaction energy is obtained by integrating over both the spherical and toroidal surfaces. The results suggest that the DNA prefers to be symmetrically situated about 1.2 Å above the centre of the cyclodextrin to minimise its energy. Furthermore, an optimal configuration can be determined for any given size of torus and sphere.
ISSN: 21905517
Appears in Collections:Scopus 2018

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