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Volumn 138, Issue 3, 2008, Pages 67-77

Molecular dynamics simulations of lung surfactant lipid monolayers

Author keywords

DPPC; Isotherm; POPA; POPC; POPG

Indexed keywords

DIPALMITOYLPHOSPHATIDYLCHOLINE; LIPID; LUNG SURFACTANT; PHOSPHATE; SATURATED FATTY ACID; SURFACTANT PROTEIN A; WATER;

EID: 55549106085     PISSN: 03014622     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bpc.2008.08.006     Document Type: Article
Times cited : (51)

References (56)
  • 2
    • 0023101415 scopus 로고
    • Lung surfactant: how it does and does not work
    • Bangham A.D. Lung surfactant: how it does and does not work. Lung 165 (1987) 17-25
    • (1987) Lung , vol.165 , pp. 17-25
    • Bangham, A.D.1
  • 3
    • 0031740674 scopus 로고    scopus 로고
    • Pulmonary surfactant: functions and molecular composition
    • Goerke J. Pulmonary surfactant: functions and molecular composition. Biochim. Biophys. Acta 1408 (1998) 79-89
    • (1998) Biochim. Biophys. Acta , vol.1408 , pp. 79-89
    • Goerke, J.1
  • 4
    • 0015403914 scopus 로고
    • Surface active materials from dog lung. II. Composition and physiological correlations
    • King R.J., and Clements J.A. Surface active materials from dog lung. II. Composition and physiological correlations. Am. J. Physiol. 223 (1972) 715-726
    • (1972) Am. J. Physiol. , vol.223 , pp. 715-726
    • King, R.J.1    Clements, J.A.2
  • 5
    • 0015400688 scopus 로고
    • Surface active materials from dog lung. 3. Thermal analysis
    • King R.J., and Clements J.A. Surface active materials from dog lung. 3. Thermal analysis. Am. J. Physiol. 223 (1972) 727-733
    • (1972) Am. J. Physiol. , vol.223 , pp. 727-733
    • King, R.J.1    Clements, J.A.2
  • 8
    • 0018676576 scopus 로고
    • Pulmonary surface film stability and composition
    • Hildebran J., Goerke J., and Clements J. Pulmonary surface film stability and composition. J. Appl. Physiol. 47 (1979) 604-611
    • (1979) J. Appl. Physiol. , vol.47 , pp. 604-611
    • Hildebran, J.1    Goerke, J.2    Clements, J.3
  • 9
    • 0019491445 scopus 로고
    • Lipid fluidity in lung surfactant: monolayers of saturated and unsaturated lecithins
    • Hawco M., Davis P., and Keough K. Lipid fluidity in lung surfactant: monolayers of saturated and unsaturated lecithins. J. Appl. Physiol. 51 (1981) 509-515
    • (1981) J. Appl. Physiol. , vol.51 , pp. 509-515
    • Hawco, M.1    Davis, P.2    Keough, K.3
  • 10
    • 0019792950 scopus 로고
    • Temperature dependence of dipalmitoyl phosphatidylcholine monolayer stability
    • Goerke J., and Gonzales J. Temperature dependence of dipalmitoyl phosphatidylcholine monolayer stability. J. Appl. Physiol. X (1981) 1108-1114
    • (1981) J. Appl. Physiol. , vol.X , pp. 1108-1114
    • Goerke, J.1    Gonzales, J.2
  • 11
    • 0032791063 scopus 로고    scopus 로고
    • Pulmonary surfactant in health and human lung diseases: state of the art
    • Griese M. Pulmonary surfactant in health and human lung diseases: state of the art. Eur. Respir. J. 13 (1999) 1455-1476
    • (1999) Eur. Respir. J. , vol.13 , pp. 1455-1476
    • Griese, M.1
  • 12
    • 0031048168 scopus 로고    scopus 로고
    • The role of pulmonary surfactant in obstructive airways disease
    • Hohlfeld J., Fabel H., and Hamm H. The role of pulmonary surfactant in obstructive airways disease. Eur. Respir. J. 10 (1997) 482-491
    • (1997) Eur. Respir. J. , vol.10 , pp. 482-491
    • Hohlfeld, J.1    Fabel, H.2    Hamm, H.3
  • 13
    • 0031354553 scopus 로고    scopus 로고
    • A close look at domain formation in DPPC monolayers
    • McConlogue C., and Vanderlick T. A close look at domain formation in DPPC monolayers. Langmuir 26 (1997) 7158-7164
    • (1997) Langmuir , vol.26 , pp. 7158-7164
    • McConlogue, C.1    Vanderlick, T.2
  • 15
    • 33646169476 scopus 로고    scopus 로고
    • Chain dancing, super-cool surfactant and heavy breathing: membranes, rafts and phase transitions
    • Nag K. (Ed), Taylor and Francis group, Boca Raton, Florida, Ch
    • Nag K., Vidyasankar S., Panda A.K., and Harbottle R.R. Chain dancing, super-cool surfactant and heavy breathing: membranes, rafts and phase transitions. In: Nag K. (Ed). Lung Surfactant Function and Disorder (2005), Taylor and Francis group, Boca Raton, Florida, Ch 145-152
    • (2005) Lung Surfactant Function and Disorder , pp. 145-152
    • Nag, K.1    Vidyasankar, S.2    Panda, A.K.3    Harbottle, R.R.4
  • 18
    • 0034805274 scopus 로고    scopus 로고
    • Discrepancy between phase behavior of lung surfactant phospholipids and the classical model of surfactant function
    • Piknova B., Schief W.R., Vogel V., Discher B.M., and Hall S.B. Discrepancy between phase behavior of lung surfactant phospholipids and the classical model of surfactant function. Biophys. J. 81 (2001) 2172-2180
    • (2001) Biophys. J. , vol.81 , pp. 2172-2180
    • Piknova, B.1    Schief, W.R.2    Vogel, V.3    Discher, B.M.4    Hall, S.B.5
  • 19
  • 21
    • 0033114650 scopus 로고    scopus 로고
    • Structure and phase transitions in Langmuir monolayers
    • Kaganer V.M., Möhwald H., and Dutta P. Structure and phase transitions in Langmuir monolayers. Rev. Mod. Phys. 71 (1999) 779
    • (1999) Rev. Mod. Phys. , vol.71 , pp. 779
    • Kaganer, V.M.1    Möhwald, H.2    Dutta, P.3
  • 22
    • 0028256158 scopus 로고
    • The main transition of dipalmitoylphosphatidyl-choline monolayers: a liquid expanded to solid condensed high order transformation
    • Denicourt N., Tancrède P., and Teissié J. The main transition of dipalmitoylphosphatidyl-choline monolayers: a liquid expanded to solid condensed high order transformation. Biophys. Chem. 49 (1994) 153-162
    • (1994) Biophys. Chem. , vol.49 , pp. 153-162
    • Denicourt, N.1    Tancrède, P.2    Teissié, J.3
  • 23
    • 0027997604 scopus 로고
    • Conformational changes of the lecithin headgroup in monolayers at the air/water interface
    • Brumm T., Naumann C., Sackmann E., and Rennie A. Conformational changes of the lecithin headgroup in monolayers at the air/water interface. Eur. Biophys. J. 23 4 (1994) 289-295
    • (1994) Eur. Biophys. J. , vol.23 , Issue.4 , pp. 289-295
    • Brumm, T.1    Naumann, C.2    Sackmann, E.3    Rennie, A.4
  • 24
    • 0036212690 scopus 로고    scopus 로고
    • Simulations of zwitterionic and anionic phospho-lipid monolayers
    • Kaznessis Y.N., Kim S., and Larson R.G. Simulations of zwitterionic and anionic phospho-lipid monolayers. Biophys. J. 82 (2002) 1731-1742
    • (2002) Biophys. J. , vol.82 , pp. 1731-1742
    • Kaznessis, Y.N.1    Kim, S.2    Larson, R.G.3
  • 25
    • 0036384267 scopus 로고    scopus 로고
    • Specific mode of interaction between components of model pulmonary surfactants using computer simulations
    • Kaznessis Y.N., Kim S., and Larson R.G. Specific mode of interaction between components of model pulmonary surfactants using computer simulations. J. Mol. Biol. 322 (2002) 569-582
    • (2002) J. Mol. Biol. , vol.322 , pp. 569-582
    • Kaznessis, Y.N.1    Kim, S.2    Larson, R.G.3
  • 26
    • 0348197881 scopus 로고    scopus 로고
    • Molecular dynamics investigations of lipid Langmuir monolayers using a coarse-grain model
    • Nielsen S., Lopez C., Moore P., Shelley J., and Klein M.L. Molecular dynamics investigations of lipid Langmuir monolayers using a coarse-grain model. J. Phys. Chem. B 107 50 (2003) 13911-13917
    • (2003) J. Phys. Chem. B , vol.107 , Issue.50 , pp. 13911-13917
    • Nielsen, S.1    Lopez, C.2    Moore, P.3    Shelley, J.4    Klein, M.L.5
  • 27
    • 36849085363 scopus 로고    scopus 로고
    • The molecular mechanism of monolayer-bilayer transformations of lung surfactant from molecular dynamics simulations
    • Baoukina S., Monticelli L., Amrein M., and Tieleman D.P. The molecular mechanism of monolayer-bilayer transformations of lung surfactant from molecular dynamics simulations. Biophys. J. 93 (2007) 3775-3782
    • (2007) Biophys. J. , vol.93 , pp. 3775-3782
    • Baoukina, S.1    Monticelli, L.2    Amrein, M.3    Tieleman, D.P.4
  • 28
    • 55549131988 scopus 로고
    • Interaction between dipalmitoylphosphatidylglycerol and phosphatidylcholine and calcium
    • Nag K., Rich N., and Keough K. Interaction between dipalmitoylphosphatidylglycerol and phosphatidylcholine and calcium. Thin Solid Films 74 (1994) 2983-2995
    • (1994) Thin Solid Films , vol.74 , pp. 2983-2995
    • Nag, K.1    Rich, N.2    Keough, K.3
  • 29
    • 52049111368 scopus 로고    scopus 로고
    • Y.Y. Zuo, R.A. Veldhuizen, A.W. Neumann, N.O. Petersen, F. Possmayer, Current perspectives in pulmonary surfactant - inhibition, enhancement and evaluation, Biochim. Biophys. Acta. [Apr 8 2008, Electronic publication ahead of print].
    • Y.Y. Zuo, R.A. Veldhuizen, A.W. Neumann, N.O. Petersen, F. Possmayer, Current perspectives in pulmonary surfactant - inhibition, enhancement and evaluation, Biochim. Biophys. Acta. [Apr 8 2008, Electronic publication ahead of print].
  • 30
    • 0031880829 scopus 로고    scopus 로고
    • Adhesion forces of lipids in a phospho-lipid membrane studied by molecular dynamics simulations
    • Marrink S.J., Berger O., Tieleman P., and Jähnig F. Adhesion forces of lipids in a phospho-lipid membrane studied by molecular dynamics simulations. Biophys. J. 74 (1998) 931-943
    • (1998) Biophys. J. , vol.74 , pp. 931-943
    • Marrink, S.J.1    Berger, O.2    Tieleman, P.3    Jähnig, F.4
  • 31
    • 0032998180 scopus 로고    scopus 로고
    • Surface binding of alamethicin stabilizes its helical structure: molecular dynamics simulations
    • Tieleman D.P., Berendsen H.J., and Sansom M.S. Surface binding of alamethicin stabilizes its helical structure: molecular dynamics simulations. Biophys. J. 76 (1999) 3186-3191
    • (1999) Biophys. J. , vol.76 , pp. 3186-3191
    • Tieleman, D.P.1    Berendsen, H.J.2    Sansom, M.S.3
  • 32
    • 55549091167 scopus 로고    scopus 로고
    • P. Tieleman, Structures and Topologies, 15 August 2006, 2 July 2008, http://moose.bio.u-calgary.ca/index.php?page=Structures_and_Topologies.
    • P. Tieleman, Structures and Topologies, 15 August 2006, 2 July 2008, http://moose.bio.u-calgary.ca/index.php?page=Structures_and_Topologies.
  • 33
    • 33846846337 scopus 로고    scopus 로고
    • Atomic-scale structure and electrostatics of anionic palmitoyloleoylphosphatidylglycerol lipid bilayers with Na+ counterions
    • Zhao W., Rög T., Gurtovenko A.A., Vattulainen I., and Karttunen M. Atomic-scale structure and electrostatics of anionic palmitoyloleoylphosphatidylglycerol lipid bilayers with Na+ counterions. Biophys. J. 92 (2007) 1114-1124
    • (2007) Biophys. J. , vol.92 , pp. 1114-1124
    • Zhao, W.1    Rög, T.2    Gurtovenko, A.A.3    Vattulainen, I.4    Karttunen, M.5
  • 34
    • 55549148494 scopus 로고    scopus 로고
    • M. Karttunen, Software, simulation parameters, force fields..., 22 November 2007, 2 July 2008, http://www.apmaths.uwo.ca/~mkarttu//downloads.shtml.
    • M. Karttunen, Software, simulation parameters, force fields..., 22 November 2007, 2 July 2008, http://www.apmaths.uwo.ca/~mkarttu//downloads.shtml.
  • 36
    • 0035789518 scopus 로고    scopus 로고
    • GROMACS 3.0: a package for molecular simulation and trajectory analysis
    • Lindahl E., Hess B., and van der Spoel D. GROMACS 3.0: a package for molecular simulation and trajectory analysis. J. Mol. Model. 7 (2001) 306-317
    • (2001) J. Mol. Model. , vol.7 , pp. 306-317
    • Lindahl, E.1    Hess, B.2    van der Spoel, D.3
  • 38
    • 33745630723 scopus 로고    scopus 로고
    • Membrane protein simulations with a united-atom lipid and all-atom protein model: lipid-protein interactions, side chain transfer free energies and model proteins
    • Tieleman D.P., MacCallum J.L., Ash W.L., Kandt C., Xu Z., and Monticelli L. Membrane protein simulations with a united-atom lipid and all-atom protein model: lipid-protein interactions, side chain transfer free energies and model proteins. J. Phys., Condens. Matter 18 (2006) S1221-S1234
    • (2006) J. Phys., Condens. Matter , vol.18
    • Tieleman, D.P.1    MacCallum, J.L.2    Ash, W.L.3    Kandt, C.4    Xu, Z.5    Monticelli, L.6
  • 39
    • 0030999097 scopus 로고    scopus 로고
    • Molecular dynamics simulations of a fluid bilayer of di-palmitoylphosphatidylcholine at full hydration, constant pressure, and constant temperature
    • Berger O., Edholm O., and Jähnig F. Molecular dynamics simulations of a fluid bilayer of di-palmitoylphosphatidylcholine at full hydration, constant pressure, and constant temperature. Biophys. J. 72 (1997) 2002-2013
    • (1997) Biophys. J. , vol.72 , pp. 2002-2013
    • Berger, O.1    Edholm, O.2    Jähnig, F.3
  • 40
    • 55549139876 scopus 로고    scopus 로고
    • W. F. van Gunsteren, and H. J. C. Berendsen, Groningen Molecular Simulation (GRO-MOS) Library Manual. Biomos BV Nijenborgh 4, 9747 AG Groningen (University of Groningen), The Netherlands 1987.
    • W. F. van Gunsteren, and H. J. C. Berendsen, Groningen Molecular Simulation (GRO-MOS) Library Manual. Biomos BV Nijenborgh 4, 9747 AG Groningen (University of Groningen), The Netherlands 1987.
  • 43
    • 0000202909 scopus 로고    scopus 로고
    • Ewald summation for systems with slab geometry
    • Yeh I., and Berkowitz M. Ewald summation for systems with slab geometry. J. Chem. Phys. 111 (1999) 3155-3162
    • (1999) J. Chem. Phys. , vol.111 , pp. 3155-3162
    • Yeh, I.1    Berkowitz, M.2
  • 44
    • 0000388705 scopus 로고    scopus 로고
    • LINCS: a linear constraint solver for molecular simulations
    • Hess B., Bekker H., Berendsen H., and Fraaije J. LINCS: a linear constraint solver for molecular simulations. J. Comp. Chem. 18 (1997) 1463-1472
    • (1997) J. Comp. Chem. , vol.18 , pp. 1463-1472
    • Hess, B.1    Bekker, H.2    Berendsen, H.3    Fraaije, J.4
  • 45
    • 84986440341 scopus 로고
    • Settle: an analytical version of the SHAKE and RATTLE algorithm for rigid water models
    • Miyamoto S., and Kollman P. Settle: an analytical version of the SHAKE and RATTLE algorithm for rigid water models. J. Comp. Chem. 13 (1992) 952-962
    • (1992) J. Comp. Chem. , vol.13 , pp. 952-962
    • Miyamoto, S.1    Kollman, P.2
  • 49
    • 0001713953 scopus 로고    scopus 로고
    • Surface properties of water clusters: a molecular dynamics study
    • Zakharov V., Brodskaya E., and Laaksonen A. Surface properties of water clusters: a molecular dynamics study. Mol. Phys. 95 (1998) 203-209
    • (1998) Mol. Phys. , vol.95 , pp. 203-209
    • Zakharov, V.1    Brodskaya, E.2    Laaksonen, A.3
  • 51
    • 0032787326 scopus 로고    scopus 로고
    • Persistence of phase coexistence in disaturated phos-phatidylcholine monolayers at high surface pressures
    • Crane J.M., Putz G., and Hall S.B. Persistence of phase coexistence in disaturated phos-phatidylcholine monolayers at high surface pressures. Biophys. J. 77 (1999) 3134-3143
    • (1999) Biophys. J. , vol.77 , pp. 3134-3143
    • Crane, J.M.1    Putz, G.2    Hall, S.B.3
  • 52
    • 0017945764 scopus 로고
    • Polymorphoism of phospholipid monolayers
    • Albrecht G., G. H, and Sackmann E. Polymorphoism of phospholipid monolayers. J. Physique 39 (1978) 301
    • (1978) J. Physique , vol.39 , pp. 301
    • Albrecht, G.1    G. H2    Sackmann, E.3
  • 53
    • 0000232665 scopus 로고
    • Stable ridges in a collapsing monolayer
    • H. R. Stable ridges in a collapsing monolayer. Nature 281 (1979) 287-289
    • (1979) Nature , vol.281 , pp. 287-289
    • H., R.1
  • 55
    • 0034225910 scopus 로고    scopus 로고
    • The ground-state phase behavior of model Langmuir monolayers
    • Opps S. The ground-state phase behavior of model Langmuir monolayers. J. Chem. Phys. 113 (2000) 339-348
    • (2000) J. Chem. Phys. , vol.113 , pp. 339-348
    • Opps, S.1
  • 56
    • 34548065978 scopus 로고    scopus 로고
    • Simulation studies of pore and domain formation in a phospholipid monolayer
    • Knecht V., Müller M., Bonn M., Marrink S.-J., and Mark A.E. Simulation studies of pore and domain formation in a phospholipid monolayer. J. Chem. Phys. 122 (2005) 024704
    • (2005) J. Chem. Phys. , vol.122 , pp. 024704
    • Knecht, V.1    Müller, M.2    Bonn, M.3    Marrink, S.-J.4    Mark, A.E.5


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