Adsorption of Polyadenylic acid on graphene oxide: experiments and computer modeling

Karachevtsev, M.V. and Stepanian, S.G. and Valeev, V.A. and Литвин, Оксана Степанівна and Adamowicz, Ludwik and Karachevtsev, V.A. (2020) Adsorption of Polyadenylic acid on graphene oxide: experiments and computer modeling Journal of Biomolecular Structure and Dynamics. ISSN 1538-0254

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In this work, we study the adsorption of poly(rA) on graphene oxide (GO) using AFM and UV absorption spectroscopies. A transformation of the homopolynucleotide structure on the GO surface is observed. It is found that an energetically favorable conformation of poly(rA) on GO is achieved after a considerable amount of time (days). It is revealed that GO can induce formation of self-structures of single-stranded poly(rA) including a duplex at pH 7. The phenomenon is analyzed by polymer melting measurements and observed by AFM. Details of the noncovalent interaction of poly(rA) with graphene are also investigated using molecular dynamics simulations. The adsorption of (rA)10 oligonucleotide on graphene is compared with the graphene adsorption of (rC)10. DFT calculations are used to determine equilibrium structures and the corresponding interaction energies of the adenine-GO complexes with different numbers of the oxygen-containing groups. The IR intensities and vibrational frequencies of free and adsorbed adenines on the GO surface are calculated. The obtained spectral transformations are caused by the interaction of adenine with GO.

Item Type: Article
Uncontrolled Keywords: A-motif; H-bonding; noncovalent interaction; graphene oxide; polyriboadenilic acid; adenine; spectroscopy; molecular dynamics; ab initio calculations; atom force microscopy
Subjects: Статті у наукометричних базах > Scopus
Статті у наукометричних базах > Web of Science
Divisions: Це архівні підрозділи > Кафедра комп'ютерних наук і математики
Depositing User: Оксана Степанівна Литвин
Date Deposited: 13 Oct 2020 07:21
Last Modified: 13 Oct 2020 07:21

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