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Interaction of Nucleobases and Aromatic Amino Acids with Graphene Oxide and Graphene Flakes
Uppsala University, Disciplinary Domain of Science and Technology, Biology, Department of Cell and Molecular Biology, Structure and Molecular Biology. Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Materials Theory.
Uppsala University, Disciplinary Domain of Science and Technology, Biology, Department of Cell and Molecular Biology, Structure and Molecular Biology.
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Materials Theory.
2013 (English)In: Journal of Physical Chemistry Letters, ISSN 1948-7185, E-ISSN 1948-7185, Vol. 4, no 21, 3710-3718 p.Article in journal (Refereed) Published
Abstract [en]

In this work, we have studied interactions of nucleobases and aromatic amino acids with graphene (G) and graphene oxide (GO) flakes by ab initio density functional theory (DFT). It is evident from the results that GO complexes are stabilized by hydrogen bonding interactions whereas G complexes are stabilized by pi-pi interactions, leading to enhanced binding energies for GO complexes compared to G complexes. Moreover, time-dependent DFT (TD-DFT) calculations for the optical properties reveal that the GO nanoflakes and GO-nucleobase composite absorb visible light in the range of 400-700 nm, which may be useful for light-emitting devices. The insights obtained from our study will be useful to understand the role of GO flakes as carriers in targeted drug delivery and biosensors.

Place, publisher, year, edition, pages
2013. Vol. 4, no 21, 3710-3718 p.
National Category
Natural Sciences
Identifiers
URN: urn:nbn:se:uu:diva-212315DOI: 10.1021/jz401929hISI: 000326845200016OAI: oai:DiVA.org:uu-212315DiVA: diva2:677678
Available from: 2013-12-10 Created: 2013-12-09 Last updated: 2017-12-06Bibliographically approved

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Vovusha, HakkimSanyal, SuparnaSanyal, Biplab

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