Guidelines for the design of magnetic nanorobots to cross the blood-brain barrier

IEEE Transactions on Robotics

Volumn 30, Issue 1, 2014, Pages 81-92

  Hamdi, Mustapha ^a   Ferreira, Antoine ^a  

^a Ecole Nationale Superieure d'Ingenieurs de Bourges   (France)

Author keywords

Drug delivery system; Magnetic steering; Molecular dynamics (MD); Nanorobotics; Robotics design

Indexed keywords

BINDING ENERGY; BLOOD; DESIGN; DRUG DELIVERY; MICROCIRCULATION; MOLECULAR DYNAMICS; NANOCAPSULES; SUPERPARAMAGNETISM;

COMPUTATIONAL SIMULATION; DRUG DELIVERY SYSTEM; ENDOTHELIAL BARRIERS; GOVERNING PARAMETERS; MAGNETIC NANOCAPSULES; MAGNETIC STEERING; MOLECULAR DYNAMICS SIMULATIONS; NON-SPECIFIC INTERACTIONS;

NANOROBOTICS;

EID: 84894502941     PISSN: 15523098     EISSN: None     Source Type: Journal    
DOI: 10.1109/TRO.2013.2291616     Document Type: Article

References (48)

1. M. Al-Haik and Y. Hussaini, "Molecular dynamics simulation ofmagnetic field induced orientation of nanotube-polymer composite," J. Appl. Phys., vol. 45, pp. 8984-8987, 2006. (Pubitemid 47253183)
2. A.Albanese, P. Tang, andW. Chan, "The effect of nanoparticle size, shape, and surface chemistry on biological systems," Annu. Rev. Biomed. Eng., vol. 14, pp. 1-16, 2012.
3. L. Arcese, M. Fruchard, and A. Ferreira, "Endovascular magneticallyguided robots: Navigation modeling and optimization," IEEE Trans. Biomed. Eng., vol. 59, no. 4, pp. 977-987, Apr. 2012.
4. G. Bao and R. Bao, "Shedding light on the dynamics of endocytosis and viral budding," Proc. Nat. Acad. Sci., vol. 102, no. 29, pp. 9997-9998, 2006. (Pubitemid 41023314)
5. R. Bawa, "Nanoparticle-based therapeutics in humans: A survey," Nanotechnol. Law Bus., vol. 5, pp. 135-155, 2008.
6. G. Bell, "Models for the specific adhesion of cells to cells," Science, vol. 200, pp. 618-627, 1978.
7. K. Berk Yesin, K. Vollmers, and B. J. Nelson, "Modeling and control of untethered biomicrorobots in a fuidic environment using electromagnetic fields," Int. J. Robotics Res., vol. 25, no. 5-6, pp. 527-536, May/Jun. 2006. (Pubitemid 43735587)
8. J. A. Champion and S. Mitragotri, "Role of target geometry in phagocytosis," Proc. Nat. Acad. Sci., vol. 103, no. 13, pp. 4930-4934, 2006.
9. P.Decuzzi andM. Ferrari, "The adhesive strength of nonspherical particles mediated by specific interactions," Biomaterials, vol. 27, pp. 5307-5314, 2006. (Pubitemid 44080296)
10. P. Decuzzi and M. Ferrari, "The receptor-mediated endocytosis of nonspherical particles," Biophys. J., vol. 94, pp. 3790-3797, 2008.
11. M. Ferrari and P. Decuzzi, "Design maps for nanoparticles targeting the diseased microvasculature," Biomaterials, vol. 29, pp. 377-384, 2008. (Pubitemid 350081047)
12. H. Gao, W. Shi, and L. B. Freund, "Mechanics of receptor-mediated endocytosis," Proc. Nat. Acad. Sci., vol. 102, no. 27, pp. 9469-9474, 2005. (Pubitemid 40981705)
13. W. M. Gao, "Steered molecular dynamics study of titin i1 domain unfolding," Biophys. J., vol. 83, pp. 3435-3445, 2002.
14. A. Goldmann, R. Cox, and H. Brenner, "Slow viscous motion of a sphere parallel to a plane wall ii Couette flow," Chem. Eng. Sci., vol. 22, pp. 653-660, 1967.
15. J. R. Griffiths, "Are cancer cells acidic?" Brit. J. Cancer, vol. 64, pp. 425-427, 1991.
16. D. Hays, "Electrostatic adhesion of non-uniformly charged dielectric sphere," Int. Phys. Conf. ser., vol. 118, pp. 223-228, 1991.
17. S. Hofinger, M. Melle-Franco, T. Gallo, A. Cantelli, andM. Calvaresi, "A computational analysis of the insertion of carbon nanotubes into cellular membranes," Biomaterials, vol. 32, pp. 7079-7085, 2011.
18. K. Iimura, S.Watanabe, M. Suzuki,M. Hirota, and K. Higashitani, "Simulation of entrainment of agglomerates from plate surfaces by shear flows," Chem. Eng. Sci., vol. 64, pp. 1455-1461, 2009.
19. B. Isralewitz, M. Gao, and K. Schulten, "Steered molecular dynamics and mechanical functions of proteins," Curr. Opin. Struct. Biol., vol. 11, pp. 224-230, 2001. (Pubitemid 32289426)
20. W. Jorgensen, J. Chandrasekhar, J. Madura, R. Impey, and M. Klein, "Comparison of simple potential functions for simulating liquid water," J. Chem. Phys., vol. 79, 926, pp. 1-7, 1983.
21. V. Kalra, S. Mendez, F. Escobedo, and Y.-L. Joo, "Coarse-grained molecular dynamics simulation on the placement of nanoparticles within symmetric diblock copolymers under shear flow," J. Chem. Physics, vol. 128, 128, 164909, pp. 1-11, 2008.
22. K. Kostarelos, L. Lacerda, and G. Pastorin, "Cellular uptake of functionalized carbon nanotubes is independent of functional group and cellular type," Nat. Nanotechnol., vol. 2, pp. 108-113, 2007. (Pubitemid 46230832)
23. T. Krasia-Christoforou, "Superparamagnetic hybrid micelles, based on iron oxide nanoparticles and well-defined diblock copolymers possessing beta-ketoester functionalities," Biomacromolecules, vol. 10, pp. 2662-2671, 2009.
24. S. Kraszewski, A. Bianco,M. Tarek, and C. Ramseyer, "Insertion of short amino-functionalized single-walled carbon nanotubes into phospholipid bilayer occurs by passive diffusion," PLoS ONE, vol. 7, no. 7, pp. 1-8, 2012.
25. E. Lee, K. Na, and Y. Bae, "Polymeric micelle for tumor ph and folatemediated targeting," J. Controll. Release, vol. 91, pp. 103-113, 2003. (Pubitemid 37288881)
26. S.-Y. Lee, M. Ferrari, and P. Decuzzi, "Shaping nano-/micro- particles for enhanced vascular interaction in laminar flows," Nanotechnol., vol. 20, no. 49, p. 495101, 2009.
27. S. Lenaghan,Y.Wang, T. Xi,N. Fukuda, T. Tarn,W. Hamel, andM. Zhang, "Grand challenges in bioengineered nanorobotics for cancer therapy," IEEE Trans. Biomed. Eng., vol. 60, no. 3, pp. 667-673, 2013.
28. C. Lopez, S. Nielsen, P. Moore, and M. Klein, "Understanding nature's design for nanosyringe," Proc. Nat. Acad. Sci., vol. 101, pp. 4431-4434, 2004.
29. J. A. MacKerell, N. Banavali, and N. Foloppe, "Development and current status of the Charmm force field for nucleic acids," Biopolymers, vol. 56, pp. 257-265, 2001. (Pubitemid 34105873)
30. A. Makarucha, N. Todorova, and I.Yarovsky, "Nanomaterials in biological environment: A review of computer modelling studies," Eur. Biophys. J. Biophys. Lett., vol. 40, pp. 103-115, 2010.
31. S. Martel, M. Mohammadi, O. Felfoul, Z. Lu, and P. Pouponneau, "Flagellated magnetotactic bacteria as controlled MRI-trackable propulsion and steering systems for medical nanorobots operating in the human microvasculature," Int. J. Robot. Res., vol. 28, no. 4, pp. 571-582, Apr. 2009.
32. J.-B. Mathieu, G. Beaudoin, and S. Martel, "Method of propulsion of a ferromagnetic core in the cardiovascular system through magnetic gradients generated by an MRI system," IEEE Trans. Biomed. Eng., vol. 53, no. 2, pp. 292-299, Feb. 2006. (Pubitemid 43168160)
33. J.-B. Mathieu and S. Martel, "Magnetic microparticle steering within the constraints of an MRI system: Proof of concept of a novel targeting approach," Biomed. Microdev., vol. 9, no. 6, pp. 801-808, 2007. (Pubitemid 350020674)
34. L. Monticelli, E. Salonen, P. Ke, and I. Vattulainen, "Effects of carbon nanoparticles on lipid membranes: A molecular simulation perspective," Soft Matter, vol. 5, pp. 4433-4445, 2008.
35. M. Nelson,W. Humphrey, A. Gursoy, A. Dalke, L. Kalé, R. D. Skeel, and K. Schulten. "NAMD-A parallel, object-oriented molecular dynamics program," J. Supercomputing App., vol. 10, pp. 251-268, 1996.
36. D. Pantarotto, R. Singh, D. McCarthy, M. Erhardt, J.-P. Briand, M. Prato, K. Kostarelos, and A. Bianco, "Functionalized carbon nanotubes for plasmid DNA gene delivery," Angew. Chem. Int. Ed, vol. 43, pp. 5242-5246, 2004. (Pubitemid 39382552)
37. P. Papaphilippou, T. Turcu, and R. Krasia-Christoforou, "Synthesis and characterization of water-dispersible, superparamagnetic single-wall carbon nanotubes decorated with iron oxide nanoparticles and well-defined chelating diblock copolymers," J. Polymer Sci. B, Polymer Phys., vol. 49, pp. 1389-1396, 2011.
38. S. Park, F. Khalili, E. Tajkhorshid, and K. Schulten, "Free energy calculation from steered molecular dynamics simulations using Jarzynski's equality," J. Chem. Phys., vol. 119, pp. 3559-3566, 2003.
39. K. E. Peyer, F. Qiu, L. Zhang, and B. J. Nelson, "Movement of artificial bacterial flagella in heterogeneous viscous environments at the microscale," in Proc. IEEE/RSJ Int. Conf. Intell. Robots Syst., Oct. 2012.
40. J. Piper, R. Swerlick, and C. Zhu, "Determining force dependence of twodimensional receptor-ligand binding affinity by centrifugation," Biophys. J., vol. 74, pp. 492-513, 1998. (Pubitemid 28041777)
41. X. Shi, A. von dem Bussche, R. Hurt, A. Kane, and H. Gao, "Cell entry of one-dimensional nanomaterials occurs by tip recognition and rotation," Nat. Nanotech., vol. 6, pp. 714-719, 2011.
42. X. Shi, Y. Kong, and H. Gao, "Coarse grained molecular dynamics and theoretical studies of carbon nanotubes entering cell membrane," Acta Mechanica Sinica, vol. 24, pp. 161-169, 2008.
43. S. J. Stuart, A. B. Tutein, and J. A. Harrison, "A reactive potential for hydrocarbons with intermolecular interactions," J. Chem. Phys., vol. 112, pp. 6472-6486, 2000.
44. S.-I. Takeda, F. Mishima, S. Fujimoto, Y. Izumi, and S. Nishijima, "Development of magnetically targeted drug delivery system using superconducting magnet," J. Magnet. Magnet. Mater., vol. 311, pp. 367-371, 2007. (Pubitemid 46401053)
45. P. Vartholomeos and Mavroidis, "Aggregations in fluid environments for MRI-guided drug delivery," IEEE Trans. Biomed Eng., vol. 59, no. 11, pp. 3028-3038, Nov. 2012.
46. P.Vartholomeos and C.Mavroidis, "Simulation platform for self-assembly structures in MRI-guided nanorobotic drug delivery systems," in Proc. IEEE. Int. Conf. Robot. Autom., Anchorage, AK, USA, May 3-8, 2010, pp. 5594-5600.
47. E. Wallace and M. Sansom, "Blocking of carbon nanotube based nanoinjectors by lipids: A simulation study," Nano Lett., vol. 8, pp. 2751-2756, 2008.
48. K. Yang and Y.Ma, "Computer simulation of the translocation of nanoparticles with different shapes across a lipid bilayer," Soft Matter, vol. 5, pp. 579-583, 2010.