Journal
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
Volume 33, Issue 7, Pages 1567-1597Publisher
TAYLOR & FRANCIS INC
DOI: 10.1080/07391102.2014.954315
Keywords
density functional theory; graphene; binding energy; nucleobase; carbon nanotube
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Funding
- Natural Science and Engineering Research Council (NSERC) of Canada
- Sadler Graduate Scholarship in Mechanical Engineering at the University of Alberta
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Functionalized carbon nanotubes (CNTs) constitute a new class of nanostructured materials that have vast applications in CNT purification and separation, biosensing, drug delivery, etc. Hybrids formed from the functionalization of CNT with biological molecules have shown interesting properties and have attracted great attention in recent years. Of particular interest is the hybridization of single- or double-stranded nucleic acid (NA) with CNT. Nucleobases, as the building blocks of NA, interact with CNT and contribute strongly to the stability of the NA-CNT hybrids and their properties. In this work, we present a thorough review of previous studies on the binding of nucleobases with graphene and CNT, with a focus on the simulation works that attempted to evaluate the structure and strength of binding. Discrepancies among these works are identified, and factors that might contribute to such discrepancies are discussed.
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