Molecular dynamics simulations of rupture in lipid bilayers

Experimental Biology and Medicine

Volumn 235, Issue 2, 2010, Pages 181-188

  Tomasini, Michael D ^a   Rinaldi, Carlos ^b   Tomassone, M Silvina ^c  

^a RUTGERS UNIVERSITY   (United States)

^b UNIVERSITY OF PUERTO RICO   (Puerto Rico)

^c The State University of New Jersey   (United States)

Author keywords

Lipid bilayer; Magnetic fluid hyperthermia; Molecular dynamics simulation; Shear stress

Indexed keywords

DIPALMITOYLPHOSPHATIDYLCHOLINE; NANOPARTICLE;

ARTICLE; CELL MEMBRANE; LIPID BILAYER; LIPID COMPOSITION; MEMBRANE RUPTURE; MOLECULAR DYNAMICS; SHEAR STRESS; SIMULATION; SURFACE TENSION;

1,2-DIPALMITOYLPHOSPHATIDYLCHOLINE; CELL MEMBRANE; FERROSOFERRIC OXIDE; HUMANS; LIPID BILAYERS; MAGNETIC FIELD THERAPY; MODELS, BIOLOGICAL; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; NANOTECHNOLOGY; NEOPLASMS; PARTICLE SIZE; STRESS, MECHANICAL; SURFACE TENSION;

EID: 77649156366     PISSN: 15353702     EISSN: 15353699     Source Type: Journal    
DOI: 10.1258/ebm.2009.009187     Document Type: Article

References (35)

1. Ferrari M. Cancer nanotechnology: opportunities and challenges. Nat Rev Cancer 2005;5:161-71
2. Jordan A, Scholtz R, Wust P, Fähling H, Felix R. Magnetic fluid hyperthermia (MFH): cancer treatment with AC magnetic field induced excitation of biocompatible superparamagnetic nanoparticles. J Magn Magn Mater 1999;201:413-9
3. Jordan A, Scholtz R, Wust P, Schirra P, Schiestel T, Schmidt H, Felix R. Endocytosis of dextran and silan-coated magnetite nanoparticles and the effect of intracellular hyperthermia on human mammary carcinoma cells in vitro. J Magn Magn Mater 1999;194:185-96
4. Johannsen M, Thiesen B, Jordan A, Taymoorian K, Gneveckow U, Waldöfner N, Scholtz R, Kock M, Lein M, Jung K, Loening SA. Magnetic fluid hyperthermia (MFH) reduces prostate cancer growth in the orthotopic dunning R3327 rat model. Prostate 2005;64:283-92
5. Halbreich A, Groman EV, Raison D, Bouchaud C, Paturance S. Damage to the protein synthesizing apparatus in mouse liver in vivo by magnetocytolysis in the presence of hepatospecific magnetic nanoparticles. J Magn Magn Mater 2002;248:276-85
6. Tieleman DP, Marrink SJ, Berendsen HJC. A computer perspective of membranes: molecular dynamics studies of lipid bilayer systems. Biochim Biophys Acta 1997;1331:235-70
7. Feller SE. Molecular dynamics simulation of lipid bilayers. Curr Opin Colloid Interface Sci 2000;5:217-23
8. Wang ZJ, Frenkel D. Pore nucleation in mechanically stretched bilayer membranes. J Chem Phys 2005;122:234711
9. Tolpekina TV, den Otter WK, Briels WJ. Nucleation free energy of pore formation in an amphiphilic bilayer studied by molecular dynamics simulations. J Chem Phys 2004;121:12060
10. Tieleman DP, Leontiadou H, Mark AE, Marrink SJ. Simulation of pore formation in lipid bilayers by mechanical stress and electric fields. J Am Chem Soc 2002;125:6382-3
11. Leontiadou H, Mark AE, Marrink SJ. Molecular dynamics simulations of hydrophilic pores in lipid bilayers. Biophys J 2004;86:2156-64
12. Evans E, Heinrich H. Dynamics strength of fluid membranes. C R Phys 2003;4:265-74
13. Groot RD, Rabone KL. Mesoscopic simulation of cell membrane damage, morphology change, and rupture by nonionic surfactants. Biophys J 2001;81:725-36
14. Groot RD, Warren PB. Dissipative particle dynamics: bridging the gap between atomistic and mesoscopic simulation. J Chem Phys 1997;107:4423-35
15. Needham D, Nunn RS. Elastic deformation and failure of lipid bilayer membranes containing cholesterol. Biophys J 1990;58:997-1009
16. Olbrich K, Rawicz W, Needham D, Evans E. Water permeability and mechanical strength of polyunsaturated lipid bilayers. Biophys J 2000;79:321-7
17. Evans E, Heinrich V, Lugwig F, Rawicz W. Dynamic tension spectroscopy and strength of biomembranes. Biophys J 2003;85:2342-50
18. Heinrich V, Rawicz W. Automated, high-resolution micropipette aspiration reveals new insight into the physical properties of fluid membranes. Langmuir 2005;21:1962-71
19. Rawicz W, Smith BA, McIntosh TJ, Simon SA, Evans E. Elasticity, strength, and water permeability of bilayers that contain raft microdomain-forming lipids. Biophys J 2008;94:4725-36
20. Discher BM, Won YY, Ege DS, Lee JCM, Bates FS, Discher DE, Hammer DA. Polymersomes: tough vesicles made from diblock copolymers. Science 1999;284:1143-6
21. Blood PD, Ayton GS, Voth GA. Probing the molecular-scale lipid bilayer response to shear flow using nonequilibrium molecular dynamics. J Phys Chem 2005;109:18673-9
22. Shkulipa SA, den Otter WK, Briels WJ. Surface viscosity, diffusion, and intermonolayer friction: simulating sheared amphiphilic bilayers. Biophys J 2005;89:823-9
23. Allen MP, Tildesley DJ. Computer Simulation of Liquids. Oxford, UK: Oxford University Press, 1987
24. Lindahl E, Hess B, van der Spoel D. GROMACS 3.0: a package for molecular simulation and trajectory analysis. J Mol Model 2001;7:306-17
25. Berger O, Edholm E, Jähnig F. Molecular dynamics simulation of a fluid bilayer of dipalmitoylphosphatidylcholine at full hydration, constant pressure, and constant temperature. Biophys J 1997;72:2002-13
26. Jorgensen WL, Madura JD, Swenson CJ. Optimized intermolecular potential functions for liquid hydrocarbons. J Am Chem Soc 1984;106:6638-46
27. Berendsen HJC, Postma JPM, van Gunsteren WF, Hermans J. Interaction models for water in relation to protein hydration. In: Pullman B, Dordrecht R, eds. Intermolecular Forces. Dordrecht, Holland: Reidel, 1981:331-42
28. Essmann U, Perera L, Berkowitz ML, Darden T, Lee H, Pedersen LGJ. A smooth particle mesh Ewald routine. J Chem Phys 1995;103:8577-93
29. Tieleman DP. Biocomputing at the University of Calgary, 2006. See http://moose.bio.ucalgary.ca (last accessed 17 August 2009)
30. Berendsen HJC, Postma JPM, van Gunsteren WF, Di Nola A, Haak JR. Molecular dynamics with coupling to an external bath. J Chem Phys 1984;81:3684-90
31. Rowlinson JS, Windom B. Molecular Theory of Capillarity. Oxford, UK: Oxford University Press, 1982
32. Chiu SW, Clark M, Balaji V, Subramaniam S, Scott HL, Jakobsson E. Incorporation of surface tension into molecular dynamics simulation of an interface: a fluid phase lipid bilayer membrane. Biophys J 1995;69:1230-45
33. Marrink SJ, Mark AE. Effect of undulations on surface tension in simulation bilayers. J Chem Phys 2001;105:6122-7
34. Jakubovics JP. Magnetism and Magnetic Materials. London: Institute of Metals, 1987
35. Kaneko Y, Tokoro H, Nakabayashi T, Adachi M, Fujii S. Magnetic beads with high saturation magnetization. IEEE Trans Magn 2007;43:2424-6