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Volumn 1828, Issue 3, 2013, Pages 1094-1101

Sensing hydration and behavior of pyrene in POPC and POPC/cholesterol bilayers: A molecular dynamics study

Author keywords

Fluorescent membrane probe; Ham effect; Lipid bilayer; Molecular dynamics simulation; Py polarity scale; Pyrene

Indexed keywords

2 OLEOYL 1 PALMITOYLPHOSPHATIDYLCHOLINE; CHOLESTEROL; PHOSPHOLIPID; PYRENE;

EID: 84872105472     PISSN: 00052736     EISSN: 18792642     Source Type: Journal    
DOI: 10.1016/j.bbamem.2012.12.014     Document Type: Article
Times cited : (31)

References (49)
  • 1
    • 78650384605 scopus 로고    scopus 로고
    • Recent development in computer simulations of lipid bilayers
    • A.P. Lyubartsev, and A.L. Rabinovich Recent development in computer simulations of lipid bilayers Soft Matter 7 2011 25 39
    • (2011) Soft Matter , vol.7 , pp. 25-39
    • Lyubartsev, A.P.1    Rabinovich, A.L.2
  • 2
    • 77649156898 scopus 로고    scopus 로고
    • Fluorescent membrane probes' behavior in lipid bilayers: Insights from molecular dynamics simulations
    • L.M.S. Loura, and J.P. Prates Ramalho Fluorescent membrane probes' behavior in lipid bilayers: insights from molecular dynamics simulations Biophys. Rev. 1 2009 141 148
    • (2009) Biophys. Rev. , vol.1 , pp. 141-148
    • Loura, L.M.S.1    Prates Ramalho, J.P.2
  • 3
    • 79960821626 scopus 로고    scopus 로고
    • Recent developments in molecular dynamics simulations of fluorescent membrane probes
    • L.M.S. Loura, and J.P. Prates Ramalho Recent developments in molecular dynamics simulations of fluorescent membrane probes Molecules 16 2011 5437 5452
    • (2011) Molecules , vol.16 , pp. 5437-5452
    • Loura, L.M.S.1    Prates Ramalho, J.P.2
  • 4
    • 0036289240 scopus 로고    scopus 로고
    • Pyrene-labeled lipids as tools in membrane biophysics and cell biology
    • P. Somerharju Pyrene-labeled lipids as tools in membrane biophysics and cell biology Chem. Phys. Lipids 116 2002 57 74
    • (2002) Chem. Phys. Lipids , vol.116 , pp. 57-74
    • Somerharju, P.1
  • 5
    • 33747757594 scopus 로고    scopus 로고
    • Kinetics of bimolecular reactions in model bilayers and biological membranes. A critical review
    • E. Melo, and J. Martins Kinetics of bimolecular reactions in model bilayers and biological membranes. A critical review Biophys. Chem. 123 2006 77 94
    • (2006) Biophys. Chem. , vol.123 , pp. 77-94
    • Melo, E.1    Martins, J.2
  • 6
    • 18844455490 scopus 로고    scopus 로고
    • 2H-NMR study and molecular dynamics simulation of the location, alignment, and mobility of pyrene in POPC bilayers
    • 2H-NMR study and molecular dynamics simulation of the location, alignment, and mobility of pyrene in POPC bilayers Biophys. J. 88 2005 1818 1827
    • (2005) Biophys. J. , vol.88 , pp. 1818-1827
    • Hoff, B.1    Strandberg, E.2    Ulrich, A.S.3    Tieleman, D.P.4    Posten, C.5
  • 7
    • 0035142951 scopus 로고    scopus 로고
    • 10-PC and free pyrene in fluid DMPC bilayers
    • 10-PC and free pyrene in fluid DMPC bilayers Biophys. J. 80 2001 832 840
    • (2001) Biophys. J. , vol.80 , pp. 832-840
    • Martins, J.1    Melo, E.2
  • 9
    • 34248197909 scopus 로고    scopus 로고
    • Free pyrene probes in gel and fluid membranes: Perspective through atomistic simulations
    • J. Čurdová, P. Čapková, J. Plášek, J. Repáková, and I. Vattulainen Free pyrene probes in gel and fluid membranes: perspective through atomistic simulations J. Phys. Chem. B 111 2007 3640 3650
    • (2007) J. Phys. Chem. B , vol.111 , pp. 3640-3650
    • Čurdová, J.1    Čapková, P.2    Plášek, J.3    Repáková, J.4    Vattulainen, I.5
  • 10
    • 35848952766 scopus 로고    scopus 로고
    • d phases of binary phosphatidylcholine/cholesterol mixtures
    • d phases of binary phosphatidylcholine/cholesterol mixtures Biochim. Biophys. Acta 1768 2007 2914 2922
    • (2007) Biochim. Biophys. Acta , vol.1768 , pp. 2914-2922
    • Arrais, D.1    Martins, J.2
  • 11
    • 0023680049 scopus 로고
    • Micropolarities of lipid bilayers and micelles: 5. Localization of pyrene in small unilamellar phosphatidylcholine vesicles
    • G.P. L'Heureux, and M. Fragata Micropolarities of lipid bilayers and micelles: 5. Localization of pyrene in small unilamellar phosphatidylcholine vesicles Biophys. Chem. 30 1988 293 301
    • (1988) Biophys. Chem. , vol.30 , pp. 293-301
    • L'Heureux, G.P.1    Fragata, M.2
  • 12
    • 0012373127 scopus 로고
    • Nuclear magnetic resonance studies of lecithin bimolecular leaflets with incorporated fluorescent probes
    • F. Podo, and J.K. Blasie Nuclear magnetic resonance studies of lecithin bimolecular leaflets with incorporated fluorescent probes Proc. Natl. Acad. Sci. U. S. A. 74 1977 1032 1036
    • (1977) Proc. Natl. Acad. Sci. U. S. A. , vol.74 , pp. 1032-1036
    • Podo, F.1    Blasie, J.K.2
  • 13
    • 84871929110 scopus 로고    scopus 로고
    • Phospholipid/cholesterol binary mixtures: Polarity variations with composition and temperature
    • D. Arrais, and J. Martins Phospholipid/cholesterol binary mixtures: polarity variations with composition and temperature Eur. Biophys. J. 40 Suppl. 1 2011 195-195
    • (2011) Eur. Biophys. J. , vol.40 , Issue.SUPPL. 1 , pp. 195-195
    • Arrais, D.1    Martins, J.2
  • 15
    • 0035789518 scopus 로고    scopus 로고
    • GROMACS 3.0: A package for molecular simulation and trajectory analysis
    • E. Lindahl, B. Hess, and D. van der Spoel 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
  • 16
    • 0002775934 scopus 로고
    • Interaction models for water in relation to protein hydration
    • B. Pullman, Reidel Dordrecht, The Netherlands
    • H.J.C. Berendsen, J.P.M. Postma, W.F. van Gunsteren, and J. Hermans Interaction models for water in relation to protein hydration B. Pullman, Intermolecular Forces 1981 Reidel Dordrecht, The Netherlands 331 342
    • (1981) Intermolecular Forces , pp. 331-342
    • Berendsen, H.J.C.1    Postma, J.P.M.2    Van Gunsteren, W.F.3    Hermans, J.4
  • 17
    • 0030999097 scopus 로고    scopus 로고
    • Molecular dynamics simulations of a fluid bilayer of dipalmitoylphosphatidylcholine at full hydration, constant pressure, and constant temperature
    • O. Berger, O. Edholm, and F. Jahnig Molecular dynamics simulations of a fluid bilayer of dipalmitoylphosphatidylcholine 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    Jahnig, F.3
  • 20
    • 84986440341 scopus 로고
    • SETTLE: An analytical version of the SHAKE and RATTLE algorithms for rigid water models
    • S. Miyamoto, and P.A. Kollman SETTLE: an analytical version of the SHAKE and RATTLE algorithms for rigid water models J. Comput. Chem. 13 1992 952 962
    • (1992) J. Comput. Chem. , vol.13 , pp. 952-962
    • Miyamoto, S.1    Kollman, P.A.2
  • 22
    • 0001585978 scopus 로고    scopus 로고
    • Improving efficiency of large time-scale molecular dynamics simulations of hydrogen-rich systems
    • K.A. Feenstra, B. Hess, and H.J.C. Berendsen Improving efficiency of large time-scale molecular dynamics simulations of hydrogen-rich systems J. Comput. Chem. 20 1999 786 798
    • (1999) J. Comput. Chem. , vol.20 , pp. 786-798
    • Feenstra, K.A.1    Hess, B.2    Berendsen, H.J.C.3
  • 27
    • 77649190922 scopus 로고    scopus 로고
    • Structure and conformation of HIV fusion inhibitor peptide T-1249 in presence of model membranes: A molecular dynamics study
    • A.M.T.M. do Canto, A.J. Palace Carvalho, J.P. Prates Ramalho, and L.M.S. Loura Structure and conformation of HIV fusion inhibitor peptide T-1249 in presence of model membranes: a molecular dynamics study J. Mol. Struct. (THEOCHEM) 946 2010 119 124
    • (2010) J. Mol. Struct. (THEOCHEM) , vol.946 , pp. 119-124
    • Do Canto, A.M.T.M.1    Palace Carvalho, A.J.2    Prates Ramalho, J.P.3    Loura, L.M.S.4
  • 28
  • 30
    • 84860408645 scopus 로고    scopus 로고
    • Interaction of 7-nitrobenz-2-oxa-1,3-diazol-4-yl-labeled fatty amines with 1-palmitoyl,2-oleoyl-sn-glycero-3-phosphocholine bilayers: A molecular dynamics study
    • H.A.L. Filipe, M.J. Moreno, and L.M.S. Loura Interaction of 7-nitrobenz-2-oxa-1,3-diazol-4-yl-labeled fatty amines with 1-palmitoyl,2- oleoyl-sn-glycero-3-phosphocholine bilayers: a molecular dynamics study J. Phys. Chem. B 115 2011 10109 10119
    • (2011) J. Phys. Chem. B , vol.115 , pp. 10109-10119
    • Filipe, H.A.L.1    Moreno, M.J.2    Loura, L.M.S.3
  • 31
    • 36549102647 scopus 로고
    • Error estimates on averages of correlated data
    • H. Flyvbjerg, and H.G. Petersen Error estimates on averages of correlated data J. Chem. Phys. 91 1989 461 466
    • (1989) J. Chem. Phys. , vol.91 , pp. 461-466
    • Flyvbjerg, H.1    Petersen, H.G.2
  • 34
    • 0037381939 scopus 로고    scopus 로고
    • Molecular dynamics simulations of phospholipid bilayers with cholesterol
    • C. Hofsäß, E. Lindahl, and O. Edholm Molecular dynamics simulations of phospholipid bilayers with cholesterol Biophys. J. 84 2003 2192 2206
    • (2003) Biophys. J. , vol.84 , pp. 2192-2206
    • Hofsäß, C.1    Lindahl, E.2    Edholm, O.3
  • 35
    • 77953161754 scopus 로고    scopus 로고
    • A molecular view of the cholesterol condensing effect in DOPC lipid bilayers
    • M. Alwarawrah, J.A. Dai, and J.Y. Huang A molecular view of the cholesterol condensing effect in DOPC lipid bilayers J. Phys. Chem. B 114 2010 7516 7523
    • (2010) J. Phys. Chem. B , vol.114 , pp. 7516-7523
    • Alwarawrah, M.1    Dai, J.A.2    Huang, J.Y.3
  • 36
    • 0030043562 scopus 로고    scopus 로고
    • Surface areas and packing constraints in POPC/C(12)EO(n) membranes. A time-resolved fluorescence study
    • G. Lantzsch, H. Binder, H. Heerklotz, M. Wendling, and G. Klose Surface areas and packing constraints in POPC/C(12)EO(n) membranes. A time-resolved fluorescence study Biophys. Chem. 58 1996 289 302
    • (1996) Biophys. Chem. , vol.58 , pp. 289-302
    • Lantzsch, G.1    Binder, H.2    Heerklotz, H.3    Wendling, M.4    Klose, G.5
  • 37
    • 0002986647 scopus 로고    scopus 로고
    • Hydration and structural properties of mixed lipid/surfactant model membranes
    • B. Konig, U. Dietrich, and G. Klose Hydration and structural properties of mixed lipid/surfactant model membranes Langmuir 13 1997 525 532
    • (1997) Langmuir , vol.13 , pp. 525-532
    • Konig, B.1    Dietrich, U.2    Klose, G.3
  • 38
    • 0030876951 scopus 로고    scopus 로고
    • Phosphatidylcholine acyl unsaturation modulates the decrease in interfacial elasticity induced by cholesterol
    • J.M. Smaby, M.M. Momsen, H.L. Brockman, and R.E. Brown Phosphatidylcholine acyl unsaturation modulates the decrease in interfacial elasticity induced by cholesterol Biophys. J. 73 1997 1492 1505
    • (1997) Biophys. J. , vol.73 , pp. 1492-1505
    • Smaby, J.M.1    Momsen, M.M.2    Brockman, H.L.3    Brown, R.E.4
  • 40
    • 0346057941 scopus 로고    scopus 로고
    • Distribution of pentachlorophenol in phospholipid bilayers: A molecular dynamics study
    • P. Mukhopadhyay, H.J. Vogel, and D.P. Tieleman Distribution of pentachlorophenol in phospholipid bilayers: a molecular dynamics study Biophys. J. 86 2004 337 345
    • (2004) Biophys. J. , vol.86 , pp. 337-345
    • Mukhopadhyay, P.1    Vogel, H.J.2    Tieleman, D.P.3
  • 41
    • 65249095596 scopus 로고    scopus 로고
    • Interaction of ethanol with biological membranes: The formation of non-bilayer structures within the membrane interior and their significance
    • A.A. Gurtovenko, and J. Anwar Interaction of ethanol with biological membranes: the formation of non-bilayer structures within the membrane interior and their significance J. Phys. Chem. B 113 2009 1983 1992
    • (2009) J. Phys. Chem. B , vol.113 , pp. 1983-1992
    • Gurtovenko, A.A.1    Anwar, J.2
  • 42
    • 47349125098 scopus 로고    scopus 로고
    • Cholesterol packing around lipids with saturated and unsaturated chains: A simulation study
    • S.A. Pandit, S.W. Chiu, E. Jakobsson, A. Grama, and H.L. Scott Cholesterol packing around lipids with saturated and unsaturated chains: A simulation study Langmuir 24 2008 6858 6865
    • (2008) Langmuir , vol.24 , pp. 6858-6865
    • Pandit, S.A.1    Chiu, S.W.2    Jakobsson, E.3    Grama, A.4    Scott, H.L.5
  • 43
    • 0028929692 scopus 로고
    • Restatement of order parameters in biomembranes: Calculation of CC bond order parameters from CD quadrupolar splittings
    • J.P. Douliez, A. Leonard, and E.J. Dufourc Restatement of order parameters in biomembranes: calculation of CC bond order parameters from CD quadrupolar splittings Biophys. J. 68 1995 1727 1739
    • (1995) Biophys. J. , vol.68 , pp. 1727-1739
    • Douliez, J.P.1    Leonard, A.2    Dufourc, E.J.3
  • 44
    • 0031438285 scopus 로고    scopus 로고
    • A computer perspective of membranes: Molecular dynamics studies of lipid bilayer systems
    • D.P. Tieleman, S.J. Marrink, and H.J.C. Berendsen A computer perspective of membranes: molecular dynamics studies of lipid bilayer systems Biochim. Biophys. Acta 1331 1997 235 270
    • (1997) Biochim. Biophys. Acta , vol.1331 , pp. 235-270
    • Tieleman, D.P.1    Marrink, S.J.2    Berendsen, H.J.C.3
  • 46
    • 0017808625 scopus 로고
    • Molecular order in cis and trans unsaturated phospholipid bilayers
    • J. Seelig, and N. Waespesarcevic Molecular order in cis and trans unsaturated phospholipid bilayers Biochemistry 17 1978 3310 3315
    • (1978) Biochemistry , vol.17 , pp. 3310-3315
    • Seelig, J.1    Waespesarcevic, N.2
  • 49
    • 79955409906 scopus 로고    scopus 로고
    • Anisotropic solvent model of the lipid bilayer. 2. Energetics of insertion of small molecules, peptides and proteins in membranes
    • A.L. Lomize, I.D. Pogozheva, and H.I. Mosberg Anisotropic solvent model of the lipid bilayer. 2. Energetics of insertion of small molecules, peptides and proteins in membranes J. Chem. Inf. Model. 51 2011 930 946
    • (2011) J. Chem. Inf. Model. , vol.51 , pp. 930-946
    • Lomize, A.L.1    Pogozheva, I.D.2    Mosberg, H.I.3


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