TY - JOUR
T1 - Binding of Polycitydylic Acid to Graphene Oxide
T2 - Spectroscopic Study and Computer Modeling
AU - Karachevtsev, Maksym V.
AU - Stepanian, Stepan G.
AU - Ivanov, Alexander Yu
AU - Leontiev, Victor S.
AU - Valeev, Vladimir A.
AU - Lytvyn, Oksana S.
AU - Adamowicz, Ludwik
AU - Karachevtsev, Victor A.
N1 - Funding Information:
The authors are grateful to Dr. A. M. Plokhotnichenko for the helpful discussion and help in the UV spectra measurements. This work has been partially supported by National Academy of Sciences of Ukraine (Grant N 15/17-H within the program “Fundamental Problems of the creation of new Nanomaterials and Nanotechnology” and Grant N 0117U002287). This research was also provided by the grant support of the State Fund for Fundamental Research of Ukraine (Grant No. 73/89-2017). An allocation of computer time from the computational facilities of the grid-cluster at the Institute for Low Temperature Physics and Engineering and from UA Research High Performance Computing (HPC) and High Throughput Computing (HTC) at the University of Arizona is gratefully acknowledged.
Funding Information:
The authors are grateful to Dr. A. M. Plokhotnichenko for the helpful discussion and help in the UV spectra measurements. This work has been partially supported by National Academy of Sciences of Ukraine (Grant N 15/17-H within the program "Fundamental Problems of the creation of new Nanomaterials and Nanotechnology" and Grant N 0117U002287). This research was also provided by the grant support of the State Fund for Fundamental Research of Ukraine (Grant No. 73/89- 2017). An allocation of computer time from the computational facilities of the grid-cluster at the Institute for Low Temperature Physics and Engineering and from UA Research High Performance Computing (HPC) and High Throughput Computing (HTC) at the University of Arizona is gratefully acknowledged.
Publisher Copyright:
© 2017 American Chemical Society.
PY - 2017/8/24
Y1 - 2017/8/24
N2 - Hybridization of nucleic acids with graphene nanomaterials is of great interest due to its potential application in genosensing and nanomedicine. In this work we study the interaction between polyribocytidylic acid (poly(rC)) and graphene oxide (GO). The study involves comparing the UV absorption spectra of the free polymer and the polymer bonded to graphene oxide and analyzing the vibrational structure of the systems and their components using FTIR spectroscopy. Spectral shifts of the electronic and vibrational bands of the poly(rC) and changes of their thermostability due to the adsorption on GO are observed. Molecular dynamics simulation of the adsorption process of the r(C)10 and r(C)30 oligomers on graphene demonstrates their disordering due to the π-π stacking of cytosines on graphene and shows that the longer oligomer adsorbs slower. The binding energies of a single cytosine stacked with graphene in water and in vacuum were determined. The calculated IR lines of the stacked cytosine with graphene are red-shifted by up to 20 cm-1 compared to free cytosine. A strong decrease of the intensities of the cytosine vibrations in the 1800-1400 cm-1 range resulting from the interaction with graphene is revealed in the spectra. When cytosine is adsorbed to graphene oxide, their complex is additionally stabilized by H-bonding. It leads to an increase of the red shifting of the cytosine lines.
AB - Hybridization of nucleic acids with graphene nanomaterials is of great interest due to its potential application in genosensing and nanomedicine. In this work we study the interaction between polyribocytidylic acid (poly(rC)) and graphene oxide (GO). The study involves comparing the UV absorption spectra of the free polymer and the polymer bonded to graphene oxide and analyzing the vibrational structure of the systems and their components using FTIR spectroscopy. Spectral shifts of the electronic and vibrational bands of the poly(rC) and changes of their thermostability due to the adsorption on GO are observed. Molecular dynamics simulation of the adsorption process of the r(C)10 and r(C)30 oligomers on graphene demonstrates their disordering due to the π-π stacking of cytosines on graphene and shows that the longer oligomer adsorbs slower. The binding energies of a single cytosine stacked with graphene in water and in vacuum were determined. The calculated IR lines of the stacked cytosine with graphene are red-shifted by up to 20 cm-1 compared to free cytosine. A strong decrease of the intensities of the cytosine vibrations in the 1800-1400 cm-1 range resulting from the interaction with graphene is revealed in the spectra. When cytosine is adsorbed to graphene oxide, their complex is additionally stabilized by H-bonding. It leads to an increase of the red shifting of the cytosine lines.
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U2 - 10.1021/acs.jpcc.7b04806
DO - 10.1021/acs.jpcc.7b04806
M3 - Article
AN - SCOPUS:85028335720
SN - 1932-7447
VL - 121
SP - 18221
EP - 18233
JO - Journal of Physical Chemistry C
JF - Journal of Physical Chemistry C
IS - 33
ER -