Noncovalent interaction of carbon nanostructures

Accounts of Chemical Research

Volumn 47, Issue 8, 2014, Pages 2574-2581

  Umadevi, Deivasigamani ^a   Panigrahi, Swati ^a   Sastry, Garikapati Narahari ^a  

^a INDIAN INSTITUTE OF CHEMICAL TECHNOLOGY   (India)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84906248407     PISSN: 00014842     EISSN: 15204898     Source Type: Journal    
DOI: 10.1021/ar500168b     Document Type: Article

References (67)

1. Hirsch, A. The era of carbon allotropes Nat. Mater. 2010, 9, 868-871
2. Rao, C. N. R.; Sood, A. K.; Subrahmanyam, K. S.; Govindaraj, A. Graphene: The New Two-Dimensional Nanomaterial Angew. Chem., Int. Ed. 2009, 48, 7752-7777
3. Iijima, S. Helical microtubules of graphitic carbon Nature 1991, 354, 56-58
4. Britz, D. A.; Khlobystov, A. N. Noncovalent interactions of molecules with single walled carbon nanotubes Chem. Soc. Rev. 2006, 35, 637-659
5. Mahadevi, A. S.; Sastry, G. N. Cation-π Interaction: Its Role and Relevance in Chemistry, Biology, and Material Science Chem. Rev. 2013, 113, 2100-2138
6. Wheeler, S. E. Understanding Substituent Effects in Noncovalent Interactions Involving Aromatic Rings Acc. Chem. Res. 2013, 46, 1029-1038
7. Chourasia, M.; Sastry, G. M.; Sastry, G. N. Aromatic-Aromatic Interactions Database, A2ID: An analysis of aromatic π-networks in proteins Int. J. Biol. Macromol. 2011, 48, 540-552
8. Mahadevi, A. S.; Rahalkar, A. P.; Gadre, S. R.; Sastry, G. N. Ab initio investigation of benzene clusters: Molecular tailoring approach J. Chem. Phys. 2010, 133 164308
9. Charlier, J. C. Defects in Carbon Nanotubes Acc. Chem. Res. 2002, 35, 1063-1069
10. Georgakilas, V.; Otyepka, M.; Bourlinos, A. B.; Chandra, V.; Kim, N.; Kemp, K. C.; Hobza, P.; Zboril, R.; Kim, K. S. Functionalization of Graphene: Covalent and Non-Covalent Approaches, Derivatives and Applications Chem. Rev. 2012, 112, 6156-6214
11. Zhao, Y.-L.; Stoddart, J. F. Noncovalent Functionalization of Single-Walled Carbon Nanotubes Acc. Chem. Res. 2009, 42, 1161-1171
12. Leszczynski, J. Bionanoscience: Nano meets bio at the interface Nat. Nanotechnol. 2010, 5, 633-634
13. 2+ J. Phys. Chem. A 2008, 112, 12944-12953
14. Rao, J. S.; Zipse, H.; Sastry, G. N. Explicit Solvent Effect on Cation-π Interactions: A First Principle Investigation J. Phys. Chem. B 2009, 113, 7225-7236
15. Sharma, B.; Rao, J. S.; Sastry, G. N. Effect of Solvation on Ion Binding to Imidazole and Methylimidazole J. Phys. Chem. A 2011, 115, 1971-1984
16. + (M = Li and Na) ion complexation with buckybowls Tetrahedron Lett. 2003, 44, 6043-6046
17. Priyakumar, U. D.; Punnagai, M.; Mohan, G. P. K.; Sastry, G. N. A computational study of cation-π interactions in polycyclic systems: Exploring the dependence on the curvature and electronic factors Tetrahedron 2004, 60, 3037-3043
18. Vijay, D.; Sastry, G. N. Exploring the size dependence of cyclic and acyclic π-systems on cation-π binding Phys. Chem. Chem. Phys. 2008, 10, 582-590
19. Premkumar, J. R.; Vijay, D.; Sastry, G. N. The significance of the alkene size and the nature of the metal ion in metal-Alkene complexes: A theoretical study Dalton Trans. 2012, 41, 4965-4975
20. Vijay, D.; Sakurai, H.; Subramanian, V.; Sastry, G. N. Where to bind in buckybowls? The dilemma of a metal ion Phys. Chem. Chem. Phys. 2012, 14, 3057-3065
21. Shi, G.; Ding, Y.; Fang, H. Unexpectedly strong anion-π interactions on the graphene flakes J. Comput. Chem. 2012, 33, 1328-1337
22. Grabowski, S. J.; Lipkowski, P. Characteristics of X-H⋯π Interactions: Ab Initio and QTAIM Studies J. Phys. Chem. A 2011, 115, 4765-4773
23. 4+] Interactions with the Aromatic Motifs of Naturally Occurring Amino Acids: A Theoretical Study J. Phys. Chem. A 2005, 109, 8893-8903
24. Vijay, D.; Sastry, G. N. The cooperativity of cation-π and π-π interactions Chem. Phys. Lett. 2010, 485, 235-242
25. Vijay, D.; Sakurai, H.; Sastry, G. N. The impact of basis set superposition error on the structure of π-π dimers Int. J. Quantum Chem. 2011, 111, 1893-1901
26. Kong, J.; Franklin, N. R.; Zhou, C.; Chapline, M. G.; Peng, S.; Cho, K.; Dai, H. Nanotube Molecular Wires as Chemical Sensors Science 2000, 287, 622-625
27. Schedin, F.; Geim, A. K.; Morozov, S. V.; Hill, E. W.; Blake, P.; Katsnelson, M. I.; Novoselov, K. S. Detection of individual gas molecules adsorbed on graphene Nat. Mater. 2007, 6, 652-655
28. Li, J.; Lu, Y.; Ye, Q.; Cinke, M.; Han, J.; Meyyappan, M. Carbon Nanotube Sensors for Gas and Organic Vapor Detection Nano Lett. 2003, 3, 929-933
29. 2 on single-walled carbon nanotubes J. Chem. Phys. 2004, 120, 5377-5386
30. 2 adsorption by nitrogen-doped carbon nanotubes predicted by density-functional theory with dispersion-correcting potentials Phys. Chem. Chem. Phys. 2011, 13, 2780-2787
31. 2+ Interaction with Polycyclic Aromatic Hydrocarbons J. Phys. Chem. C 2011, 115, 9656-9667
32. Umadevi, D.; Sastry, G. N. Metal ion binding with carbon nanotubes and graphene: Effect of chirality and curvature Chem. Phys. Lett. 2012, 549, 39-43
33. Umadevi, D.; Sastry, G. N. Feasibility of Carbon Nanomaterials as Gas Sensors: A Computational Investigation Curr. Sci. 2014, 106, 1224-1234
34. Umadevi, D.; Sastry, G. N. Impact of the Chirality and Curvature of Carbon Nanostructures on Their Interaction with Aromatics and Amino Acids ChemPhysChem 2013, 14, 2570-2578
35. Komarneni, M.; Sand, A.; Goering, J.; Burghaus, U.; Lu, M.; Veca, L. M.; Sun, Y.-P. Possible effect of carbon nanotube diameter on gas-surface interaction-The case of benzene, water, and n -pentane adsorption on SWCNTs at ultra-high vacuum conditions Chem. Phys. Lett. 2009, 476, 227-231
36. Calvaresi, M.; Zerbetto, F. The Devil and Holy Water: Protein and Carbon Nanotube Hybrids Acc. Chem. Res. 2013, 46, 2454-2463
37. Balamurugan, K.; Gopalakrishnan, R.; Raman, S. S.; Subramanian, V. Exploring the Changes in the Structure of α-Helical Peptides Adsorbed onto a Single Walled Carbon Nanotube Using Classical Molecular Dynamics Simulation J. Phys. Chem. B 2010, 114, 14048-14058
38. Balamurugan, K.; Singam, E. R. A.; Subramanian, V. Effect of Curvature on the α-Helix Breaking Tendency of Carbon Based Nanomaterials J. Phys. Chem. C 2011, 115, 8886-8892
39. Gopalakrishnan, R.; Balamurugan, K.; Singam, E. R. A.; Sundaraman, S.; Subramanian, V. Adsorption of collagen onto single walled carbon nanotubes: A molecular dynamics investigation Phys. Chem. Chem. Phys. 2011, 13, 13046-13057
40. Balamurugan, K.; Subramanian, V. Length-dependent stability of α-helical peptide upon adsorption to single-walled carbon nanotube Biopolymers 2013, 99, 357-369
41. Piao, L.; Liu, Q.; Li, Y. Interaction of Amino Acids and Single-Wall Carbon Nanotubes J. Phys. Chem. C 2011, 116, 1724-1731
42. Kang, Y.; Wang, Q.; Liu, Y.-C.; Shen, J.-W.; Wu, T. Diameter Selectivity of Protein Encapsulation in Carbon Nanotubes J. Phys. Chem. B 2010, 114, 2869-2875
43. Zorbas, V.; Smith, A. L.; Xie, H.; Ortiz-Acevedo, A.; Dalton, A. B.; Dieckmann, G. R.; Draper, R. K.; Baughman, R. H.; Musselman, I. H. Importance of Aromatic Content for Peptide/Single-Walled Carbon Nanotube Interactions J. Am. Chem. Soc. 2005, 127, 12323-12328
44. Ge, C.; Du, J.; Zhao, L.; Wang, L.; Liu, Y.; Li, D.; Yang, Y.; Zhou, R.; Zhao, Y.; Chai, Z.; Chen, C. Binding of blood proteins to carbon nanotubes reduces cytotoxicity Proc. Natl. Acad. Sci. U.S.A. 2011, 108, 16968-16973
45. Rajesh, C.; Majumder, C.; Mizuseki, H.; Kawazoe, Y. A theoretical study on the interaction of aromatic amino acids with graphene and single walled carbon nanotube J. Chem. Phys. 2009, 130 124911
46. Yang, Z.; Wang, Z.; Tian, X.; Xiu, P.; Zhou, R. Amino acid analogues bind to carbon nanotube via π-π interactions: Comparison of molecular mechanical and quantum mechanical calculations J. Chem. Phys. 2012, 136 025103
47. Gowtham, S.; Scheicher, R. H.; Ahuja, R.; Pandey, R.; Karna, S. P. Physisorption of nucleobases on graphene: Density-functional calculations Phys. Rev. B 2007, 76 033401
48. Gowtham, S.; Scheicher, R. H.; Pandey, R.; Karna, S. P.; Ahuja, R. First-principles study of physisorption of nucleic acid bases on small-diameter carbon nanotubes Nanotechnology 2008, 19 125701
49. Das, A.; Sood, A. K.; Maiti, P. K.; Das, M.; Varadarajan, R.; Rao, C. N. R. Binding of nucleobases with single-walled carbon nanotubes: Theory and experiment Chem. Phys. Lett. 2008, 453, 266-273
50. Varghese, N.; Mogera, U.; Govindaraj, A.; Das, A.; Maiti, P. K.; Sood, A. K.; Rao, C. N. R. Binding of DNA Nucleobases and Nucleosides with Graphene ChemPhysChem 2009, 10, 206-210
51. Antony, J.; Grimme, S. Structures and interaction energies of stacked graphene-nucleobase complexes Phys. Chem. Chem. Phys. 2008, 10, 2722-2729
52. Panigrahi, S.; Bhattacharya, A.; Banerjee, S.; Bhattacharyya, D. Interaction of Nucleobases with Wrinkled Graphene Surface: Dispersion Corrected DFT and AFM Studies J. Phys. Chem. C 2012, 116, 4374-4379
53. Mogurampelly, S.; Panigrahi, S.; Bhattacharyya, D.; Sood, A. K.; Maiti, P. K. Unraveling siRNA unzipping kinetics with graphene J. Chem. Phys. 2012, 137 054903
54. Santosh, M.; Panigrahi, S.; Bhattacharyya, D.; Sood, A. K.; Maiti, P. K. Unzipping and binding of small interfering RNA with single walled carbon nanotube: A platform for small interfering RNA delivery J. Chem. Phys. 2012, 136 065106
55. Cruz, F. J. A. L.; de Pablo, J. J.; Mota, J. P. B. Free energy landscapes of the encapsulation mechanism of DNA nucleobases onto carbon nanotubes RSC Adv. 2014, 4, 1310-1321
56. Yarotski, D. A.; Kilina, S. V.; Talin, A. A.; Tretiak, S.; Prezhdo, O. V.; Balatsky, A. V.; Taylor, A. J. Scanning Tunneling Microscopy of DNA-Wrapped Carbon Nanotubes Nano Lett. 2009, 9, 12-17
57. Umadevi, D.; Sastry, G. N. Quantum Mechanical Study of Physisorption of Nucleobases on Carbon Materials: Graphene versus Carbon Nanotubes J. Phys. Chem. Lett. 2011, 2, 1572-1576
58. Lithium Batteries: New Materials, Developments, and Perspectives; Pistoia, G., Ed.; Industrial Chemistry Library, Vol. 5; Elsevier Science: Oxford, U.K., 1994.
59. n (1-13) Clusters Encapsulated Inside Single Walled Carbon Nanotubes J. Phys. Chem. C 2010, 114, 18762-18772
60. Xu, B.; Pan, B. C. Study of Gallium Fragments Encapsulated in Single-Walled Carbon Nanotubes J. Phys. Chem. C 2009, 113, 567-570
61. Pan, X.; Bao, X. Reactions over catalysts confined in carbon nanotubes Chem. Commun. 2008, 6271-6281
62. Chen, W.; Fan, Z.; Pan, X.; Bao, X. Effect of Confinement in Carbon Nanotubes on the Activity of Fischer-Tropsch Iron Catalyst J. Am. Chem. Soc. 2008, 130, 9414-9419
63. Pan, X.; Bao, X. The Effects of Confinement inside Carbon Nanotubes on Catalysis Acc. Chem. Res. 2011, 44, 553-562
64. Panigrahi, S.; Sastry, G. N. Reducing polyaromatic hydrocarbons: The capability and capacity of lithium RSC Adv. 2014, 4, 14557-14563
65. Rao, G. P.; Lu, C.; Su, F. Sorption of divalent metal ions from aqueous solution by carbon nanotubes: A review Sep. Purif. Technol. 2007, 58, 224-231
66. Li, N.; Lee, G.; Yang, J. W.; Kim, H.; Yeom, M. S.; Scheicher, R. H.; Kim, J. S.; Kim, K. S. Noncovalent Functionalization with Alkali Metal To Separate Semiconducting from Metallic Carbon Nanotubes: A Theoretical Study J. Phys. Chem. C 2013, 117, 4309-4313
67. Lee, R. S.; Kim, H. J.; Fischer, J. E.; Thess, A.; Smalley, R. E. Conductivity enhancement in single-walled carbon nanotube bundles doped with K and Br Nature 1997, 388, 255-257