Paper Citing NAMD - Abstract
Karachevtsev, Victor A.; Gladchenko, Galyna O.; Karachevtsev, Maksym V.; Valeev, Vladimir A.; Leontiev, Victor S.; Lytvyn, Oksana S.
Adsorption of poly(rA) on the carbon nanotube surface and its hybridization with poly(rU)
CHEMPHYSCHEM, 9:2010-2018, OCT 6 2008
Adsorption of poly(rA) on a single-walled carbon nanotube surface in aqueous suspension and the subsequent hybridization of this polymer with free poly(rU) is studied. A comparison of the temperature dependence of the absorbance of free poly (rA) and poly(rA) adsorbed on the nanotube surface [poly(rA)(NT)] at nu(max) = 38 500 cm(-1) shows that the thermostability of the adsorbed polymer is higher. Molecular dynamics simulations demonstrate that more than half of the adenines are not stacked on the tube surface and some of them undergo self-stacking. After addition of a complementary poly(rU) to the poly (rA)(NT) suspension, a double-stranded polymer is formed as confirmed by the characteristics S-like form of its melting curve. However, the meeting temperature of this polymer is lower than that of the free poly(rA).poly(rU) duplex. This result indicates that poly(rU) hybridization with poly(rA)(NT) occurs with defects along the whole length of the polymer because of pi-pi stacking between nitrogen bases and the nanotube surface, which hinders the usual hybridization process. Computer modeling demonstrates different possible structures of hybridized polymers on the nanotube surface.
