Water boiling inside carbon nanotubes: Toward efficient drug release

ACS Nano

Volumn 5, Issue 7, 2011, Pages 5647-5655

  Chaban, Vitaly V ^a   Prezhdo, Oleg V ^a  

^a UNIVERSITY OF ROCHESTER   (United States)

Author keywords

boiling; carbon nanotube; confined liquid; drug delivery; molecular dynamics; phase transition

Indexed keywords

ATOMISTIC SIMULATIONS; BOILING POINT ELEVATION; BOILING TEMPERATURE; CONFINED LIQUIDS; DELIVERY PROTOCOLS; DIFFUSION CONSTANT; DRUG RELEASE; LARGE DEVIATIONS; LIVING TISSUES; MOLECULAR DYNAMICS SIMULATIONS; POLAR DRUGS; PRECISE CONTROL; RAPID GROWTH; SPATIAL CONFINEMENT; TEMPERATURE GROWTH;

BOILING POINT; DRUG DELIVERY; MOLECULAR DYNAMICS; TISSUE;

CARBON NANOTUBES;

CARBON NANOTUBE; WATER;

ARTICLE; ATMOSPHERIC PRESSURE; CHEMISTRY; CONFORMATION; DIFFUSION; DRUG DELIVERY SYSTEM; GAS; METHODOLOGY; MOLECULAR DYNAMICS; PHASE TRANSITION; TRANSITION TEMPERATURE; VOLATILIZATION;

ATMOSPHERIC PRESSURE; DIFFUSION; DRUG DELIVERY SYSTEMS; GASES; MOLECULAR CONFORMATION; MOLECULAR DYNAMICS SIMULATION; NANOTUBES, CARBON; PHASE TRANSITION; TRANSITION TEMPERATURE; VOLATILIZATION; WATER;

EID: 79961073159     PISSN: 19360851     EISSN: 1936086X     Source Type: Journal    
DOI: 10.1021/nn201277a     Document Type: Conference Paper

References (67)

1. Garberoglio, G.; Johnson, J. K. Hydrogen Isotope Separation in Carbon Nanotubes: Calculation of Coupled Rotational and Translational States at High Densities ACS Nano 2010, 4, 1703-1715
2. Sparreboom, W.; van den Berg, A.; Eijkel, J. C. T. Principles and Applications of Nanofluidic Transport Nat. Nanotechnol. 2009, 4, 713-720
3. Lee, C. Y.; Choi, W.; Han, J. H.; Strano, M. S. Coherence Resonance in a Single-Walled Carbon Nanotube Ion Channel Science 2010, 329, 1320-1324
4. Liu, H. T.; He, J.; Tang, J. Y.; Liu, H.; Pang, P.; Cao, D.; Krstic, P.; Joseph, S.; Lindsay, S.; Nuckolls, C. Translocation of Single-Stranded DNA through Single-Walled Carbon Nanotubes Science 2010, 327, 64-67
5. Zambrano, H. A.; Walther, J. H.; Koumoutsakos, P.; Sbalzarini, I. F. Thermophoretic Motion of Water Nanodroplets Confined Inside Carbon Nanotubes Nano Lett. 2009, 9, 66-71
6. Holt, J. K.; Park, H. G.; Wang, Y. M.; Stadermann, M.; Artyukhin, A. B.; Grigoropoulos, C. P.; Noy, A.; Bakajin, O. Fast Mass Transport through Sub-2-Nanometer Carbon Nanotubes Science 2006, 312, 1034-1037
7. Peng, X. S.; Jin, J.; Nakamura, Y.; Ohno, T.; Ichinose, I. Ultrafast Permeation of Water through Protein-Based Membranes Nat. Nanotechnol. 2009, 4, 353-357
8. Miyamoto, Y.; Zhang, H.; Rubio, A. First-Principles Simulations of Chemical Reactions in an HCl Molecule Embedded Inside a C or BN Nanotube Induced by Ultrafast Laser Pulses Phys. Rev. Lett. 2010, 105, 248301
9. Habenicht, B. F.; Paddison, S. J.; Tuckerman, M. E. Ab Initio Molecular Dynamics Simulations Investigating Proton Transfer in Perfluorosulfonic Acid Functionalized Carbon Nanotubes Phys. Chem. Chem. Phys. 2010, 12, 8728-8732
10. Yum, K. S.; Cho, H. N.; Hu, H.; Yu, M. F. Individual Nanotube-Based Needle Nanoprobes for Electrochemical Studies in Picoliter Microenvironments ACS Nano 2007, 1, 440-448
11. Kalugin, O. N.; Chaban, V. V.; Loskutov, V. V.; Prezhdo, O. V. Uniform Diffusion of Acetonitrile Inside Carbon Nanotubes Favors Supercapacitor Performance Nano Lett. 2008, 8, 2126-2130
12. Lee, S. W.; Yabuuchi, N.; Gallant, B. M.; Chen, S.; Kim, B. S.; Hammond, P. T.; Shao-Horn, Y. High-Power Lithium Batteries from Functionalized Carbon-Nanotube Electrodes Nat. Nanotechnol. 2010, 5, 531-537
13. 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
14. Kostarelos, K.; Bianco, A.; Prato, M. Promises, Facts and Challenges for Carbon Nanotubes in Imaging and Therapeutics Nat. Nanotechnol. 2009, 4, 627-633
15. Hong, S. Y.; Tobias, G.; Al-Jamal, K. T.; Ballesteros, B.; Ali-Boucetta, H.; Lozano-Perez, S.; Nellist, P. D.; Sim, R. B.; Finucane, C.; Mather, S. J. et al. Filled and Glycosylated Carbon Nanotubes for In Vivo Radioemitter Localization and Imaging Nat. Mater. 2010, 9, 485-490
16. Chaban, V. V.; Savchenko, T. I.; Kovalenko, S. M.; Prezhdo, O. V. Heat-Driven Release of a Drug Molecule from Carbon Nanotubes: A Molecular Dynamics Study J. Phys. Chem. B. 2010, 114, 13481-13486
17. Hummer, G.; Rasaiah, J. C.; Noworyta, J. P. Water Conduction through the Hydrophobic Channel of a Carbon Nanotube Nature 2001, 414, 188-190 (Pubitemid 33051229)
18. Das, A.; Jayanthi, S.; Deepak, H.; Ramanathan, K. V.; Kumar, A.; Dasgupta, C.; Sood, A. K. Single-File Diffusion of Confined Water Inside SWNTs: An NMR Study ACS Nano 2010, 4, 1687-1695
19. Mukherjee, B.; Maiti, P. K.; Dasgupta, C.; Sood, A. K. Single-File Diffusion of Water Inside Narrow Carbon Nanorings ACS Nano 2010, 4, 985-991
20. Kolesnikov, A. I.; Zanotti, J. M.; Loong, C. K.; Thiyagarajan, P.; Moravsky, A. P.; Loutfy, R. O.; Burnham, C. J. Anomalously Soft Dynamics of Water in a Nanotube: A Revelation of Nanoscale Confinement Phys. Rev. Lett. 2004, 93, 035503
21. Chen, X.; Cao, G. X.; Han, A. J.; Punyamurtula, V. K.; Liu, L.; Culligan, P. J.; Kim, T.; Qiao, Y. Nanoscale Fluid Transport: Size and Rate Effects Nano Lett. 2008, 8, 2988-2992
22. Chaban, V. Filling Carbon Nanotubes with Liquid Acetonitrile Chem. Phys. Lett. 2010, 496, 50-55
23. Koga, K.; Gao, G. T.; Tanaka, H.; Zeng, X. C. Formation of Ordered Ice Nanotubes Inside Carbon Nanotubes Nature 2001, 412, 802-805 (Pubitemid 32801458)
24. Carraro, C. Existence and Nature of a Freezing Transition Inside Three-Dimensional Arrays of Narrow Channels Phys. Rev. Lett. 2002, 89, 115702
25. Mashl, R. J.; Joseph, S.; Aluru, N. R.; Jakobsson, E. Anomalously Immobilized Water: A New Water Phase Induced by Confinement in Nanotubes Nano Lett. 2003, 3, 589-592 (Pubitemid 37140620)
26. Mikami, F.; Matsuda, K.; Kataura, H.; Maniwa, Y. Dielectric Properties of Water Inside Single-Walled Carbon Nanotubes ACS Nano 2009, 3, 1279-1287
27. Chamberlain, T. W.; Popov, A. M.; Knizhnik, A. A.; Samoilov, G. E.; Khlobystov, A. N. The Role of Molecular Clusters in the Filling of Carbon Nanotubes ACS Nano 2010, 4, 5203-5210
28. Liu, Z. W.; Bando, Y.; Mitome, M.; Zhan, J. H. Unusual Freezing and Melting of Gallium Encapsulated in Carbon Nanotubes Phys. Rev. Lett. 2004, 93, 095504
29. Guan, L. H.; Suenaga, K.; Shi, Z. J.; Gu, Z. N.; Iijima, S. Polymorphic Structures of Iodine and Their Phase Transition in Confined Nanospace Nano Lett. 2007, 7, 1532-1535 (Pubitemid 47140420)
30. Abou-Rachid, H.; Hu, A. G.; Timoshevskii, V.; Song, Y. F.; Lussier, L. S. Nanoscale High Energetic Materials: A Polymeric Nitrogen Chain N-8 Confined Inside a Carbon Nanotube Phys. Rev. Lett. 2008, 100, 196401
31. O'Brien, E. P.; Stan, G.; Thirumalai, D.; Brooks, B. R. Factors Governing Helix Formation in Peptides Confined to Carbon Nanotubes Nano Lett. 2008, 8, 3702-3708
32. Han, S. H.; Choi, M. Y.; Kumar, P.; Stanley, H. E. Phase Transitions in Confined Water Nanofilms Nat. Phys. 2010, 6, 685-689
33. Giovambattista, N.; Rossky, P. J.; Debenedetti, P. G. Phase Transitions Induced by Nanoconfinement in Liquid Water Phys. Rev. Lett. 2009, 102, 050603
34. Jiang, J. W.; Sandler, S. I.; Smit, B. Capillary Phase Transitions of n -Alkanes in a Carbon Nanotube Nano Lett. 2004, 4, 241-244 (Pubitemid 38292894)
35. Singh, S. Nanomedicine-Nanoscale Drugs and Delivery Systems J. Nanosci. Nanotechnol. 2010, 10, 7906-7918
36. Poland, C. A.; Duffin, R.; Kinloch, I.; Maynard, A.; Wallace, W. A. H.; Seaton, A.; Stone, V.; Brown, S.; MacNee, W.; Donaldson, K. Carbon Nanotubes Introduced into the Abdominal Cavity of Mice Show Asbestos-like Pathogenicity in a Pilot Study Nat. Nanotechnol. 2008, 3, 423-428
37. Singh, S.; Nalwa, H. S. Nanotechnology and Health Safety-Toxicity and Risk Assessments of Nanostructured Materials on Human Health J. Nanosci. Nanotechnol. 2007, 7, 3048-3070
38. Chen, M.; Pierstorff, E. D.; Lam, R.; Li, S. Y.; Huang, H.; Osawa, E.; Ho, D. Nanodiamond-Mediated Delivery of Water-Insoluble Therapeutics ACS Nano 2009, 3, 2016-2022
39. Berlin, J. M.; Leonard, A. D.; Pham, T. T.; Sano, D.; Marcano, D. C.; Yan, S. Y.; Fiorentino, S.; Milas, Z. L.; Kosynkin, D. V.; Price, B. K. et al. Effective Drug Delivery, In Vitro and In Vivo, by Carbon-Based Nanovectors Noncovalently Loaded with Unmodified Paclitaxel ACS Nano 2010, 4, 4621-4636
40. Wang, M. Y.; Yu, S. N.; Wang, C. A.; Kong, J. L. Tracking the Endocytic Pathway of Recombinant Protein Toxin Delivered by Multiwalled Carbon Nanotubes ACS Nano 2010, 4, 6483-6490
41. Hilder, T. A.; Hill, J. M. Modeling the Loading and Unloading of Drugs into Nanotubes Small 2009, 5, 300-308
42. Panczyk, T.; Warzocha, T. P.; Camp, P. J. A Magnetically Controlled Molecular Nanocontainer as a Drug Delivery System: The Effects of Carbon Nanotube and Magnetic Nanoparticle Parameters from Monte Carlo Simulations J. Phys. Chem. C 2010, 114, 21299-21308
43. Shaitan, K. V.; Tourleigh, Y. V.; Golik, D. N.; Kirpichnikov, M. P. Computer-Aided Molecular Design of Nanocontainers for Inclusion and Targeted Delivery of Bioactive Compounds J. Drug Delivery Sci. Technol. 2006, 16, 253-258 (Pubitemid 44386285)
44. Zavaleta, C.; de la Zerda, A.; Liu, Z.; Keren, S.; Cheng, Z.; Schipper, M.; Chen, X.; Dai, H.; Gambhir, S. S. Noninvasive Raman Spectroscopy in Living Mice for Evaluation of Tumor Targeting with Carbon Nanotubes Nano Lett. 2008, 8, 2800-2805
45. Luer, L.; Lanzani, G.; Crochet, J.; Hertel, T.; Holt, J.; Vardeny, Z. V. Ultrafast Dynamics in Metallic and Semiconducting Carbon Nanotubes Phys. Rev. B 2009, 80, 205411
46. Nelson, T. R.; Chaban, V. V.; Kalugin, O. N.; Prezhdo, O. V. Vibrational Energy Transfer between Carbon Nanotubes and Liquid Water: A Molecular Dynamics Study J. Phys. Chem. B 2010, 114, 4609-4614
47. Nelson, T. R.; Chaban, V. V.; Prezhdo, V. V.; Prezhdo, O. V. Vibrational Energy Transfer between Carbon Nanotubes and Nonaqueous Solvents: A Molecular Dynamics Study J. Phys. Chem. B 2011, 115, 5260-5267
48. Liu, Y. F.; Wang, H. F. Nanomedicine-Nanotechnology Tackles Tumours Nat. Nanotechnol. 2007, 2, 20-21
49. Ghosh, S.; Dutta, S.; Gomes, E.; Carroll, D.; D'Agostino, R.; Olson, J.; Guthold, M.; Gmeiner, W. H. Increased Heating Efficiency and Selective Thermal Ablation of Malignant Tissue with DNA-Encased Multiwalled Carbon Nanotubes ACS Nano 2009, 3, 2667-2673
50. Sherlock, S. P.; Tabakman, S. M.; Xie, L. M.; Dai, H. J. Photothermally Enhanced Drug Delivery by Ultrasmall Multifunctional FeCo/Graphitic Shell Nanocrystals ACS Nano 2011, 5, 1505-1512
51. Robinson, J. T.; Tabakman, S. M.; Liang, Y. Y.; Wang, H. L.; Casalongue, H. S.; Vinh, D.; Dai, H. J. Ultrasmall Reduced Graphene Oxide with High Near-Infrared Absorbance for Photothermal Therapy J. Am. Chem. Soc. 2011, 133, 6825-6831
52. Li, R. B.; Wu, R. A.; Zhao, L. A.; Hu, Z. Y.; Guo, S. J.; Pan, X. L.; Zou, H. F. Folate and Iron Difunctionalized Multiwall Carbon Nanotubes as Dual-Targeted Drug Nanocarrier to Cancer Cells Carbon 2011, 49, 1797-1805
53. Lisal, M.; Smith, W. R.; Nezbeda, I. Accurate Vapour-Liquid Equilibrium Calculations for Complex Systems Using the Reaction Gibbs Ensemble Monte Carlo Simulation Method Fluid Phase Equilib. 2001, 181, 127-146
54. Wick, C. D.; Schenter, G. K. Critical Comparison of Classical and Quantum Mechanical Treatments of the Phase Equilibria of Water J. Chem. Phys. 2006, 124, 114505
55. Chaban, V. Should Carbon Nanotubes Be Degasified before Filling? Chem. Phys. Lett. 2010, 500, 35-40
56. Hillebrenner, H.; Buyukserin, F.; Stewart, J. D.; Martin, C. R. Biofunctionalization and Capping of Template Synthesized Nanotubes J. Nanosci. Nanotechnol. 2007, 7, 2211-2221
57. Dumitrica, T.; Garcia, M. E.; Jeschke, H. O.; Yakobson, B. I. Selective Cap Opening in Carbon Nanotubes Driven by Laser-Induced Coherent Phonons Phys. Rev. Lett. 2004, 92, 117401
58. Kang, Y.; Liu, Y. C.; Wang, Q.; Shen, J. W.; Wu, T.; Guan, W. J. On the Spontaneous Encapsulation of Proteins in Carbon Nanotubes Biomaterials 2009, 30, 2807-2815
59. Yang, L. J.; Luo, R. Amber United-Atom Force Field Biophys. J. 2005, 88, 512a
60. Alexiadis, A.; Kassinos, S. Molecular Simulation of Water in Carbon Nanotubes Chem. Rev. 2008, 108, 5014-5034
61. Ferrario, M.; Tani, A. A Molecular-Dynamics Study of the TIP4P Model of Water Chem. Phys. Lett. 1985, 121, 182-186
62. Vega, C.; Abascal, J. L. F.; Nezbeda, I. Vapor-Liquid Equilibria from the Triple Point up to the Critical Point for the New Generation of TIP4P-like Models: TIP4P/Ew, TIP4P/2005, and TIP4P/Ice J. Chem. Phys. 2006, 125, 034503
63. Horn, H. W.; Swope, W. C.; Pitera, J. W. Characterization of the TIP4P-Ew Water Model: Vapor Pressure and Boiling Point J. Chem. Phys. 2005, 123, 194504
64. Vega, C.; Abascal, J. L. F. Relation between the Melting Temperature and the Temperature of Maximum Density for the Most Common Models of Water J. Chem. Phys. 2005, 123, 234505
65. Hess, B.; Kutzner, C.; van der Spoel, D.; Lindahl, E. Gromacs 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation J. Chem. Theory Comput. 2008, 4, 435-447
66. Bussi, G.; Donadio, D.; Parrinello, M. Canonical Sampling through Velocity Rescaling J. Chem. Phys. 2007, 126, 014101
67. Parrinello, M.; Rahman, A. Polymorphic Transitions in Single-Crystals: A New Molecular-Dynamics Method J. Appl. Phys. 1981, 52, 7182-7190 (Pubitemid 12456820)