146
Views
5
CrossRef citations to date
0
Altmetric
Original Articles

Non-adiabatic dynamics of interfacial systems: a case study of a nanoparticle penetration into a lipid bilayer

, &
Pages 525-536 | Received 01 Feb 2011, Accepted 23 Feb 2011, Published online: 08 Jun 2011

References

  • Gardiner , G.W. 1983 . Handbook of Stochastic Methods for Physics, Chemistry, and the Natural Sciences , Berlin : Springer-Verlag .
  • Faccioli , P. , Sega , M. , Pederiva , F. and Orland , H. 2006 . Dominant pathways in protein folding . Phys. Rev. Lett. , 97 108101
  • Sega , M. , Faccioli , P. , Pederiva , F. , Garberoglio , G. and Orland , H. 2007 . Quantitative protein dynamics from dominant folding pathways . Phys. Rev. Lett. , 99 118102
  • Autieri , E. , Faccioli , P. , Sega , M. , Pederiva , F. and Orland , H. 2009 . Dominant reaction pathways in high-dimensional systems . J. Chem. Phys. , 130 064106
  • Gupta , A. , Chauhan , A. and Kopelevich , D.I. 2008 . Molecular transport across fluid interfaces: Coupling between solute dynamics and interface fluctuations . Phys. Rev. E , 78 041605
  • Ahn , Y.N. , Gupta , A. , Chauhan , A. and Kopelevich , D.I. (2011) . Molecular transport through surfactant-covered oil–water interfaces: Role of physical properties of solutes and surfactants in creating energy barriers for transport . Langmuir , 27 : 2420 – 2436 .
  • Lopez , C.F. , Nielsen , S.O. , Moore , P.B. and Klein , M.L. 2004 . Understanding nature's design for a nanosyringe . Proc. Natl Acad. Sci. USA , 101 : 4431 – 4434 .
  • Wallace , E.J. and Sansom , M.S.P. 2008 . Blocking of carbon nanotube based nanoinjectors by lipids: A simulation study . Nano Lett. , 8 : 2751 – 2756 .
  • Monticelli , L. , Salonen , E. , Ke , P.C. and Vattulainen , I. 2009 . Effects of carbon nanoparticles on lipid membranes: A molecular simulation perspective . Soft Matter , 5 : 4433 – 4445 .
  • Qiao , R. , Roberts , A.P. , Mount , A.S. , Klaine , S.J. and Ke , P.C. 2007 . Translocation of C60 and its derivatives across a lipid bilayer . Nano Lett. , 7 : 614 – 619 .
  • Bedrov , D. , Smith , G.D. , Davande , H. and Li , L. 2008 . Passive transport of C60 fullerenes through a lipid membrane: A molecular dynamics simulation study . J. Phys. Chem. B , 112 : 2078 – 2084 .
  • Wong-Ekkabut , J. , Baoukina , S. , Triampo , W. , Tang , I.M. , Tieleman , D.P. and Monticelli , L. 2008 . Computer simulation study of fullerene translocation through lipid membranes . Nat. Nanotechnol. , 3 : 363 – 368 .
  • Kopelevich , D.I. , Bonzongo , J.C. , Tasseff , R.A. , Gao , J. , Ban , Y.M. and Bitton , G. 2008 . “ Potential toxicity of fullerenes and molecular modeling of their transport across lipid membranes ” . In Nanoscience and Nanotechnology: Environmental and Health Impacts , Edited by: Grassian , V.H. 235 – 260 . Hoboken, NJ : Wiley .
  • D'Rozario , R.S.G. , Wee , C.L. , Wallace , E.J. and Sansom , M.S.P. 2009 . The interaction of C60 and its derivatives with a lipid bilayer via molecular dynamics simulations . Nanotechnology , 20 115102
  • Marrink , S.J. and Berendsen , H.J.C. 1994 . Simulation of water transport through a lipid membrane . J. Phys. Chem. , 98 : 4155 – 4168 .
  • Marrink , S.J. and Berendsen , H.J.C. 1996 . Permeation process of small molecules across lipid membranes studied by molecular dynamics simulations . J. Phys. Chem. , 100 : 16729 – 16738 .
  • Ulander , J. and Haymet , A.D.J. 2003 . Permeation across hydrated DPPC lipid bilayers: Simulation of the titrable amphiphilic drug valproic acid . Biophys. J. , 85 : 3475
  • Marrink , S.J. , Risselada , H.J. , Yefimov , S. , Tieleman , D.P. and de Vries , A.H. 2007 . The MARTINI force field: Coarse grained model for biomolecular simulations . J. Phys. Chem. B , 111 : 7812 – 7824 .
  • Hess , B. , Kutzner , C. , van der Spoel , D. and Lindahl , E. 2008 . GROMACS 4: Algorithms for highly efficient, load-balanced, and scalable molecular simulation . J. Chem. Theory Comput. , 4 : 435 – 447 .
  • Marrink , S.J. , Vriesde , A.H. and Mark , A.E. 2004 . Coarse grained model for semiquantitative lipid simulations . J. Phys. Chem. B , 108 : 750 – 760 .
  • Hess , B. 2008 . P-LINCS: A parallel linear constraint solver for molecular simulation . J. Chem. Theory Comput. , 4 : 116 – 122 .
  • Nosé , S. 1984 . A molecular dynamics method for simulations in the canonical ensemble . Mol. Phys. , 52 : 255 – 268 .
  • Hoover , W.G. 1985 . Canonical dynamics: Equilibrium phase–space distributions . Phys. Rev. A , 31 : 1695 – 1697 .
  • Parrinello , M. and Rahman , A. 1981 . Polymorphic transitions in single crystals: A new molecular dynamics method . J. Appl. Phys. , 52 : 7182 – 7190 .
  • Nosé , S. and Klein , M.L. 1983 . Constant pressure molecular dynamics for molecular systems . Mol. Phys. , 50 : 1055 – 1076 .
  • Roux , B. and Karplus , M. 1991 . Ion transport in a gramicidin-like channel: Dynamics and mobility . J. Phys. Chem. , 95 : 4856 – 4868 .
  • Ryckaert , J.P. , Ciccotti , G. and Berendsen , H.J.C. 1977 . Numerical integration of the Cartesian equations of motion of a system with constraints: Molecular dynamics of n-alkanes . J. Comp. Phys. , 23 : 327 – 341 .
  • Livadaru , L. and Kovalenko , A. 2006 . Fundamental mechanism of translocation across liquidlike membranes: Toward control over nanoparticle behavior . Nano Lett. , 6 : 78 – 83 .
  • Goetz , R. , Gompper , G. and Lipowsky , R. 1999 . Mobility and elasticity of self-assembled membranes . Phys. Rev. Lett. , 82 : 221 – 224 .
  • Lindahl , E. and Edholm , O. 2000 . Mesoscopic undulations and thickness fluctuations in lipid bilayers from molecular dynamics simulations . Biophys. J. , 79 : 426 – 433 .
  • Brannigan , G. and Brown , F.L.H. 2006 . A consistent model for thermal fluctuations and protein-induced deformations in lipid bilayers . Biophys. J. , 90 : 1501 – 1520 .
  • May , E.R. , Narang , A. and Kopelevich , D.I. 2007 . Role of molecular tilt in thermal fluctuations of lipid membranes . Phys. Rev. E , 76 021913
  • Helfrich , W. 1973 . Elastic properties of lipid bilayers: Theory and possible experiments . Z. Naturforsch. [C] , 28 : 693 – 703 .
  • Hamm , M. and Kozlov , M. 2000 . Elastic energy of tilt and bending of fluid membranes . Eur. Phys. J. E , 3 : 323 – 335 .
  • Spurlin , T.A. and Gewirth , A.A. 2007 . Effect of C60 on solid supported lipid bilayers . Nano Lett. , 7 : 531 – 535 .
  • Chaichian , M. and Demichev , A. 2001 . Path Integrals in Physics , Vol. 1 , Bristol and Philadelphia, PA : Institute of Physics Publishing .
  • Benjamin , I. 1993 . Mechanism dynamics of ion transfer across a liquid–liquid interface . Science , 261 : 1558 – 1560 .
  • Kornyshev , A.A. , Kuznetsov , A.M. and Urbakh , M. 2002 . Coupled ion-interface dynamics and ion transfer across the interface of two immiscible liquids . J. Chem. Phys. , 117 : 6766 – 6779 .

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.