Cisplatin is one of the most widely prescribed chemotherapy drugs to treat different types of cancers. However, this anticancer drug has a number of side effects such as kidney and nerve damages, anaphylactic reactions, hearing loss, nausea, and vomiting that strongly restrict its function. In the present study, single-walled carbon nanotubes (SWCNTs) are used as protective drug carriers which can decrease these severe side effects to some extent. Using the hybrid discrete-continuum model in conjunction with Lennard-Jones potential, new semi-analytical expressions in terms of single integrals are given to evaluate van der Waals (vdW) potential energy and interaction force between an offset cisplatin and a SWCNT. In addition, molecular dynamics (MD) simulations are conducted to validate the results of such a hybrid approach. The preferred location and orientation of cisplatin while entering SWCNTs are determined. It is shown that the equilibrium condition of the drug may be affected by the radius of nanotube, the orientation of cisplatin, and the distance between the central molecule of the drug (Pt) and the left end of nanotube. Furthermore, the influence of equilibrium condition on the distributions of vdW interactions is investigated.
References
1.
Iijima
, S.
, 1991, “Helical Microtubules of Graphite Carbon
,” Nature
, 354
, pp. 56
–58
.2.
Mitchell
, D. T.
, Lee
, S. B.
, Trofin
, L.
, Li
, N. C.
, Nevanen
, T. K.
, Soderlund
, H.
, and Martin
, C. R.
, 2002, “Smart Nanotubes for Bioseparations and Biocatalysis
,” J. Am. Chem. Soc.
, 124
, pp. 11864
–11865
.3.
Kohli
, P.
, Wirtz
, M.
, and Martin
, C. R.
, 2004, “Nanotube Membrane Based Biosensors
,” Electroanalysis
, 16
, pp. 9
–18
.4.
Lee
, S. M.
, An
, K. H.
, Lee
, Y. H.
, and Seifert
, G.
, 2001, “A Hydrogen Storage Mechanism in SWCNTs
,” J. Am. Chem. Soc.
, 123
, pp. 5059
–5063
.5.
Muthukumar
, M.
, 1991, “Polymer Translocation Through a Hole
,” Chem. Phys.
, 111
, pp. 10371
–10374
.6.
Bianco
, A.
, Kostarelos
, K.
, and Prato
, M.
, 2005, “Applications of CNTs in Drug Delivery
,” Curr. Opin. Chem. Biol.
, 9
, pp. 674
–679
.7.
Zhang
, W.
, Zhang
, Z.
, and Zhang
, Y.
, 2011, “The Application of CNTs in Target Drug Delivery Systems for Cancer Therapies
,” Nanoscale Res. Lett.
, 6
, pp. 555
–577
.8.
Takenobu
, T.
, Takano
, T.
, Shiraishi
, M.
, Murakami
, Y.
, Ata
, M.
, Katataura
, H.
, Achiba
, Y.
, and Iwasa
, Y.
, 2003, “Stable and Controlled Amphoteric Doping by Encapsulation of Organic Molecules Inside CNTs
,” Nature Mater.
, 2
, pp. 683
–688
.9.
Meunier
, V.
, and Sumpter
, B. G.
, 2005, “Amphoteric Doping of CNTs by Encapsulation of Organic Molecules: Electronic Properties and Quantum Conductance
,” J. Chem. Phys.
, 123
, p. 024705
.10.
Hilder
, T. A.
, and Hill
, J. M.
, 2009, “Modeling the Loading and Unloading of Drugs Into Nanotubes
,” Small
, 5
, pp. 300
–308
.11.
Vashist
, S. K.
, Zheng
, D.
, Pastorin
, G.
, Al-Rubeaan
, K.
, Luong
, J. H. T.
, and Sheu
, F. S.
, 2011, “Delivery of Drugs and Biomolecules Using CNTs
,” Carbon
, 49
, pp. 4077
–4097
.12.
Rosenberg
, B.
, Van Camp
, L.
, and Krigas
, T.
, 1965, “Inhibition of Cell Division in Escherichia Coli by Electrolysis Products From a Platinum Electrode
,” Nature
, 205
, pp. 698
–699
.13.
Pratt
, W. B.
, Ruddon
, R. W.
, Ensminger
, W. D.
, and Maybaum
, J.
, 1994, The Anticancer Drugs
, 2nd ed., Oxford University Press
, Oxford
.14.
Marcelis
, A. T. M.
, Erkelens
, C.
, and Reedijk
, J.
, 1984, “The Interaction of Aquated Platinum (II) Compounds With Purine Mononucleotides
,” Inorg. Chim. Acta
, 91
, pp. 129
–135
.15.
Ashraf
, M.
, Scotchel
, P. L.
, Krall
, J. M.
, and Fink
, E. B.
, 1983, “Cis-Platinum-Induced Hypo-Magnesemia and Peripheral Neuropathy
,” Gynecol. Oncol.
, 16
, pp. 309
–318
.16.
Thompson
, S. W.
, Davis
, L. E.
, Kornfeld
, M.
, Hilgers
, R. D.
, and Standefer
, J. C.
, 1984, “Cisplatin Neuropathy: Clinical, Electrophysiologic, Morphologic, and Toxicologic Studies
,” Cancer
, 54
, pp. 1269
–1275
.17.
Roelofs
, R. I.
, Hrushesky
, W.
, Rogin
, J.
, and Rosenberg
, L.
, 1984, “Peripheral Sensory Neuropathy and Cisplatin Chemotherapy
,” Neurology
, 34
, pp. 934
–938
.18.
Mollman
, J. E.
, Hogan
, W. M.
, Glover
, D. J.
, and McCluskey
, L. F.
, 1988, “Unusual Presentation of Cis-Platinum Neuropathy
,” Neurology
, 38
, pp. 488
–490
.19.
Portney
, N. G.
, and Ozkan
, M.
, 2006, “Nano-Oncology: Drug Delivery, Imaging, and Sensing
,” Anal. Bioanal. Chem.
, 384
, pp. 620
–630
.20.
Ji
, S.
, Liu
, C.
, Zhang
, B.
, Yang
, F.
, Xu
, J.
, Long
, J.
, Jin
, C.
, Fu
, D.
, Ni
, Q.
, and Yu
, X.
, 2010, “CNTs in Cancer Diagnosis and Therapy
,” Biochim. Biophys. Acta
, 1806
, pp. 29
–35
.21.
Guven
, A.
, Rusakova
, I. A.
, Lewis
, M. T.
, and Wilson
, L. J.
, 2012, “Cisplatin@US-Tube Carbon Nanocapsules for Enhanced Chemotherapeutic Delivery
,” Biomaterials
, 33
, pp. 1455
–1461
.22.
Meng
, L.
, Zhang
, X.
, Lu
, Q.
, Fei
, Z.
, and Dyson
, P. J.
, 2012, “Single Walled Carbon Nanotubes as Drug Delivery Vehicles: Targeting Doxorubicin to Tumors
,” Biomaterials
, 33
, pp. 1689
–1698
.23.
Martin
, C. R.
, and Kohli
, P.
, 2003, “Emerging Field of Nanotube Biotechnology
,” Nat. Rev. Drug Discovery
, 2
, pp. 29
–37
.24.
LaVan
, D. A.
, McGuire
, T.
, and Langer
, R.
, 2003, “Small-Scale Systems for In Vivo Drug Delivery
,” Nat. Biotechnol.
, 21
, pp. 1184
–1191
.25.
Hilder
, T. A.
, and Hill
, J. M.
, 2007, “Modelling the Encapsulation of the Anticancer Drug Cisplatin Into CNTs
,” Nanotechnology
, 18
, p. 275704
.26.
Hilder
, T. A.
, and Hill
, J. M.
, 2008, “Carbon Nanotubes as Drug Delivery Nanocapsules
,” Curr. Appl. Phys
, 8
, pp. 258
–261
.27.
Arsawang
, U.
, Saengsawang
, O.
, Rungrotmongkol
, T.
, Sornmee
, P.
, Wittayanarakul
, K.
, Remsungnen
, T.
, and Hannongbua
, S.
, 2011, “How do Carbon Nanotubes Serve as Carriers for Gemcitabine Transport in a Drug Delivery System?
,” J. Mol. Graphics Modell.
, 29
, pp. 591
–596
.28.
Qian
, D.
, Liu
, W. K.
, and Ruoff
, R. S.
, 2001, “Mechanics of C60 in Nanotubes
,” J. Phys. Chem. B
, 105
, pp. 10753
–10758
.29.
Wang
, Y.
, Tomanek
, D.
, and Bertsch
, G. F.
, 1991, “Stiffness of Solid Composed of C60 Clusters
,” Phys. Rev. B
, 44
, pp. 6562
–6565
.30.
Hilder
, T. A.
, and Hill
, J. M.
, 2007, “Continuous Versus Discrete for Interacting Carbon Nanostructures
,” J. Phys. A: Math. Theor.
, 40
, pp. 3851
–3868
.31.
Milburn
, G. H. W.
, and Truter
, M. R.
, 1966, “The Crystal Structure of Cis- and Trans-Dichlorodiammineplatinum (II)
,” J. Chem. Soc. A: Inorg. Phys. Theor.
, 11
, pp. 1609
–1616
.32.
Lee
, G. Y.
, and Jun
, M. S.
, 2001, “DFT Studies on Binding of Pt (NH3)2Cl+ to Guanine
,” Bull. Korean Chem. Soc.
, 22
, pp. 11
–12
.33.
Tersoff
, J.
, 1988, “New Empirical Approach for the Structure and Energy of Covalent Systems
,” Phys. Rev. B
, 37
, pp. 6991
–7000
.34.
Brenner
, D. W.
, 1990, “Empirical Potential for Hydrocarbons for Use in Simulating the Chemical Vapor Deposition of Diamond
,” Phys. Rev. B
, 42
, pp. 9458
–9471
.35.
Allen
, M. P.
, and Tildesley
, D. J.
, 1986, Computer Simulation of Liquids
, Clarendon Press
, Oxford
.36.
Hoover
, W. G.
, 1985, “Canonical Dynamics: Equilibrium Phase-Space Distributions
,” Phys. Rev. A
, 31
, pp. 1695
–1697
.Copyright © 2012
by American Society of Mechanical Engineers
You do not currently have access to this content.
