Multi-component modeling of quasielastic neutron scattering from phospholipid membranes

Journal of Chemical Physics

Volumn 140, Issue 17, 2014, Pages

  Wanderlingh, U ^a   D'Angelo, G ^a   Branca, C ^a   Conti Nibali, V ^b   Trimarchi, A ^a   Rifici, S ^a   Finocchiaro, D ^a   Crupi, C ^c   Ollivier, J ^d   Middendorf, H D ^e  

^a UNIVERSITY OF MESSINA   (Italy)

^b RUHR UNIVERSITY BOCHUM   (Germany)

^c IPCF   (Italy)

^d INSTITUT LAUE LANGEVIN   (France)

^e UNIVERSITY OF OXFORD   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; CHAINS; NEUTRON SCATTERING;

DYNAMICAL PROCESS; HYDROGEN DYNAMICS; MOLECULAR MOTIONS; MULTI-COMPONENT MODELING; PHOSPHOLIPID MEMBRANE; PHOSPHOLIPID MOLECULES; QUASI ELASTIC NEUTRON SCATTERING; UNIAXIAL ROTATION;

PHOSPHOLIPIDS;

CARBON; DIMYRISTOYLPHOSPHATIDYLCHOLINE; LIPID BILAYER; PHOSPHOLIPID;

CHEMISTRY; CONFORMATION; DIFFUSION; LIPID BILAYER; MEMBRANE; NEUTRON DIFFRACTION;

CARBON; DIFFUSION; DIMYRISTOYLPHOSPHATIDYLCHOLINE; LIPID BILAYERS; MEMBRANES; MOLECULAR CONFORMATION; NEUTRON DIFFRACTION; PHOSPHOLIPIDS;

EID: 84900000251     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4872167     Document Type: Article

References (58)

1. M. Bloom, E. Evans, and O. G. Mouritsen, " Physical properties of the fluid lipid-bilayer component of cell membranes: A perspective," Q. Rev. Biophys. 24, 293-397 (1991). 10.1017/S0033583500003735
2. Structure and Dynamics of Membranes, 1st ed., edited by L. Sackmann (North Holland, 1995).
3. J. F. Nagle and S. Tristram-Nagle, " Structure of lipid bilayers," Biochim. Biophys. Acta 1469, 159-195 (2000). 10.1016/S0304-4157(00)00016-2
4. Lipid Bilayers: Structure and Interactions, Biological and Medical Physics, Biomedical Engineering, edited by J. Katsaras and T. Gutberlet (Springer-Verlag, Berlin, 2001).
5. D. P. Tieleman and H. J. C. Berendsen, " Molecular dynamics simulations of a fully hydrated dipalmitoylphosphatidylcholine bilayer with different macroscopic boundary conditions and parameters," J. Chem. Phys. 105, 4871-4880 (1996). 10.1063/1.472323
6. S. E. Feller, " Molecular dynamics simulations of lipid bilayers," Curr. Opin. Colloid Interface Sci. 5, 217-223 (2000). 10.1016/S1359-0294(00)00058-3
7. L. Saiz and M. L. Klein, " Computer simulation studies of model biological membranes," Acc. Chem. Res. 35, 482-489 (2002). 10.1021/ar010167c
8. The Structure of Biological Membranes, edited by P. L. Yeagle (CRC Press, NJ, 2004).
9. H. I. Petrache, S. W. Dodd, and M. F. Brown, " Area per lipid and acyl length distributions in fluid phosphatidylcholines determined by 2h nmr spectroscopy," Biophys. J. 79, 3172-3192 (2000). 10.1016/S0006-3495(00) 76551-9
10. N. Kučerka, S. Tristram-Nagle, and J. Nagle, " Structure of fully hydrated fluid phase lipid bilayers with monounsaturated chains," J. Membr. Biol. 208, 193-202 (2006). 10.1007/s00232-005-7006-8
11. C. E. Miller, J. Majewski, E. B. Watkins, D. J. Mulder, T. Gog, and T. L. Kuhl, " Probing the local order of single phospholipid membranes using grazing incidence x-ray diffraction," Phys. Rev. Lett. 100, 058103 (2008). 10.1103/PhysRevLett.100.058103
12. L. Saiz and M. L. Klein, " Structural properties of a highly polyunsaturated lipid bilayer from molecular dynamics simulations," Biophys. J. 81, 204-216 (2001). 10.1016/S0006-3495(01)75692-5
13. H. I. Petrache, K. Tu, and J. F. Nagle, " Analysis of simulated nmr order parameters for lipid bilayer structure determination," Biophys. J. 76, 2479-2487 (1999). 10.1016/S0006-3495(99)77403-5
14. S. König, T. M. Bayerl, G. Coddens, D. Richter, and E. Sackmann, " Hydration dependence of chain dynamics and local diffusion in l-alpha-dipalmitoylphosphtidylcholine multilayers studied by incoherent quasi-elastic neutron scattering," Biophys. J. 68, 1871-1880 (1995). 10.1016/S0006-3495(95)80364-4
15. E. Lindahl and O. Edholm, " Mesoscopic undulations and thickness fluctuations in lipid bilayers from molecular dynamics simulations," Biophys. J. 79, 426-433 (2000). 10.1016/S0006-3495(00)76304-1
16. W. Pfeiffer, T. Henkel, E. Sackmann, W. Knoll, and D. Richter, " Local dynamics of lipid bilayers studied by incoherent quasi-elastic neutron scattering," Europhys. Lett. 8, 201 (1989). 10.1209/0295-5075/8/2/016
17. M. Trapp, T. Gutberlet, F. Juranyi, T. Unruh, B. Demé, M. Tehei, and J. Peters, " Hydration dependent studies of highly aligned multilayer lipid membranes by neutron scattering," J. Chem. Phys. 133, 164505 (2010). 10.1063/1.3495973
18. S. H. Chen, C. Y. Liao, H. W. Huang, T. M. Weiss, M. C. Bellisent-Funel, and F. Sette, " Collective dynamics in fully hydrated phospholipid bilayers studied by inelastic x-ray scattering," Phys. Rev. Lett. 86, 740-743 (2001). 10.1103/PhysRevLett.86.740
19. 13 c nuclear magnetic resonance relaxation data as a function of frequency and temperature," J. Chem. Phys. 107, 10288-10310 (1997). 10.1063/1.474169
20. B. Klösgen, C. Reichle, S. Kohlsmann, and K. D. Kramer, " Dielectric spectroscopy as a sensor of membrane headgroup mobility and hydration," Biophys. J. 71, 3251-3260 (1996). 10.1016/S0006-3495(96)79518-8
21. R. Hirn, T. M. Bayerl, J. O. Radler, and E. Sackmann, " Collective membrane motions of high and low amplitude, studied by dynamic light scattering and micro-interferometry," Faraday Discuss. 111, 17-30 (1999). 10.1039/a807883a
22. S. König, W. Pfeiffer, T. Bayerl, D. Richter, and E. Sackmann, " Molecular dynamics of lipid bilayers studied by incoherent quasi-elastic neutron scattering," J. Phys. II 2, 1589-1615 (1992). 10.1051/jp2:1992100
23. S. König and E. Sackmann, " Molecular and collective dynamics of lipid bilayers," Curr. Opin. Colloid Interface Sci. 1, 78-82 (1996). 10.1016/S1359-0294(96)80047-1
24. U. Wanderlingh, G. D'Angelo, V. Nibali, M. Gonzalez, C. Crupi, and C. Mondelli, J. Phys.: Condens. Matter 20, 104214 (2008). 10.1088/0953-8984/20/10/ 104214
25. G. D'Angelo, U. Wanderlingh, V. Nibali, C. Crupi, C. Corsaro, and G. Di Marco, " Physical study of dynamics in fully hydrated phospholipid bilayers," Philos. Mag. 88, 4033-4046 (2008). 10.1080/14786430802609651
26. S. Busch, C. Smuda, L. C. Pardo, and T. Unruh, " Molecular mechanism of long-range diffusion in phospholipid membranes studied by quasielastic neutron scattering," J. Am. Chem. Soc. 132, 3232-3233 (2010). 10.1021/ja907581s
27. C. L. Armstrong, M. Trapp, J. Peters, T. Seydel, and M. C. Rheinstadter, " Short range ballistic motion in fluid lipid bilayers studied by quasi-elastic neutron scattering," Soft Matter 7, 8358-8362 (2011). 10.1039/c1sm05691c
28. J. Fitter, R. Lechner, G. Büld, and N. Dencher, " Internal molecular motions of bacteriorhodopsin: Hydration-induced flexibility studied by quasielastic incoherent neutron scattering using oriented purple membranes," Proc. Natl. Acad. Sci. U.S.A. 93, 7600-7605 (1996). 10.1073/pnas.93.15.7600
29. Neutrons Scattering in Biology; Techniques and Applications, edited by J. Fitter, T. Gutberlet and J. Katsaras (Springer Publications, 2006).
30. J. Colmenero and A. Arbe, " Recent progress on polymer dynamics by neutron scattering: From simple polymers to complex materials," J. Polym. Sci., Part B: Polym. Phys. 51, 87-113 (2013). 10.1002/polb.23178
31. A. Paciaroni, V. C. Nibali, A. Orecchini, C. Petrillo, M. Haertlein, M. Moulin, M. Tarek, G. D'Angelo, and F. Sacchetti, " Vibrational excitations of proteins and their hydration water in the far-infrared range," Chem. Phys. 424, 80-83 (2013). 10.1016/j.chemphys.2013.05.013
32. J.-C. Perrin, S. Lyonnard, and F. Volino, " Quasielastic neutron scattering study of water dynamics in hydrated nafion membranes," J. Phys. Chem. C 111, 3393-3404 (2007). 10.1021/jp065039q
33. K. J. Hallock, K. Henzler Wildman, D.-K. Lee, and A. Ramamoorthy, " An innovative procedure using a sublimable solid to align lipid bilayers for solid-state nmr studies," Biophys. J. 82, 2499-2503 (2002). 10.1016/S0006-3495(02)75592-6
34. Y. Gerelli, V. G. Sakai, J. Ollivier, and A. Deriu, " Conformational and segmental dynamics in lipid-based vesicles," Soft Matter 7, 3929-3935 (2011). 10.1039/c0sm01301c
35. J. Teixeira, M.-C. Bellissent-Funel, S. H. Chen, and A. J. Dianoux, " Experimental determination of the nature of diffusive motions of water molecules at low temperatures," Phys. Rev. A 31, 1913-1917 (1985). 10.1103/PhysRevA.31.1913
36. G. H. Vineyard, " Scattering of slow neutrons by a liquid," Phys. Rev. 110, 999-1010 (1958). 10.1103/PhysRev.110.999
37. A. Kusmin, R. E. Lechner, and W. Saenger, " Quasielastic small-angle neutron scattering from heavy water solutions of cyclodextrins," J. Chem. Phys. 134, 024518 (2011). 10.1063/1.3518367
38. See supplementary material at http://dx.doi.org/10.1063/1.4872167 E-JCPSA6-140-090416 for detail on calculation of water contribution to the scattered intensity and for the approximation used to derive physical quantities from the fitted parameters.
39. R. Lechner and S. Longeville, Neutron Scattering in Biology (Springer, 2006), pp. 309-397.
40. M. Bee, Quasielastic Neutron Scattering (Adam Hilger, Bristol, 1988).
41. M. Bee, " Localized and long-range diffusion in condensed matter: State of the art of qens studies and future prospects," Chem. Phys. 292, 121-141 (2003). 10.1016/S0301-0104(03)00257-X
42. F. Volino, A. J. Dianoux, and H. Hervet, " Neutron quasi-elastic scattering study of rotational motions in the smectic c, h and vi phases of terephtal-bis-butyl-aniline (tbba)," J. Phys. Colloques 37, C3-55 C3-64 (1976). 10.1051/jphyscol:1976308
43. A. J. Dianoux, F. Volino, and H. Hervet, " Incoherent scattering law for neutron quasi-elastic scattering in liquid crystals," Mol. Phys. 30, 1181-1194 (1975). 10.1080/00268977500102721
44. T. Pradeep, S. Mitra, A. S. Nair, and R. Mukhopadhyay, " Dynamics of alkyl chains in monolayer-protected Au and Ag clusters and silver thiolates: A comprehensive quasielastic neutron scattering investigation," J. Phys. Chem. B 108, 7012-7020 (2004). 10.1021/jp0369950
45. P. Yeagle, The Membranes of Cells (Academic Press, San Diego, CA, 1993), pp. 118-120.
46. L. Lepore, J. Ellena, and D. Cafiso, " Comparison of the lipid acyl chain dynamics between small and large unilamellar vesicles," Biophys. J. 61, 767-775 (1992). 10.1016/S0006-3495(92)81881-7
47. M. Luckey, Membrane Structural Biology (Cambridge, University Press, 2008).
48. R. B. Gennis, Biomembranes: Molecular Structure and Function (Springer-Verlag, New York, 1989), p. 53.
49. A. Dianoux, M. Pineri, and F. Volino, " Neutron incoherent scattering law for restricted diffusion inside a volume with an anisotropic shape," Mol. Phys. 46, 129-137 (1982). 10.1080/00268978200101121
50. W. Pfeiffer, G. Schlossbauer, W. Knoll, B. Farago, A. Steyer, and E. Sackmann, " Ultracold neutron scattering study of local lipid mobility in bilayer membranes," J. Phys. France 49, 1077-1082 (1988). 10.1051/jphys:019880049070107700
51. J. Tabony and B. Perly, " Quasielastic neutron scattering measurements of fast local translational diffusion of lipid molecules in phospholipid bilayers," Biochim. Biophys. Acta 1063, 67-72 (1991). 10.1016/0005-2736(91)90354-B
52. W. L. C. Vaz, R. M. Clegg, and D. Hallmann, " Translational diffusion of lipids in liquid crystalline phase phosphatidylcholine multibilayers: A comparison of experiment with theory," Biochemistry 24, 781-786 (1985). 10.1021/bi00324a037
53. H. Wennerstrom and G. Lindblom, " Biological and model membranes studied by nuclear magnetic resonance of spin one half nuclei," Q. Rev. Biophys. 10, 67-96 (1977). 10.1017/S0033583500000147
54. A.-L. Kuo and C. G. Wade, " Lipid lateral diffusion by pulsed nuclear magnetic resonance," Biochemistry 18, 2300-2308 (1979). 10.1021/bi00578a026
55. Y. K. Shin, U. Ewert, D. E. Budil, and J. H. Freed, " Microscopic versus macroscopic diffusion in model membranes by electron spin resonance spectral-spatial imaging," Biophys. J. 59, 950-957 (1991). 10.1016/S0006-3495(91)82310-4
56. E. Falck, T. Róg, M. Karttunen, and I. Vattulainen, " Lateral diffusion in lipid membranes through collective flows," J. Am. Chem. Soc. 130, 44-45 (2008). 10.1021/ja7103558
57. T. Apajalahti, P. Niemela, P. N. Govindan, M. S. Miettinen, E. Salonen, S.-J. Marrink, and I. Vattulainen, " Concerted diffusion of lipids in raft-like membranes," Faraday Discuss. 144, 411-430 (2010). 10.1039/b901487j
58. H. Middendorf, Neutron Scattering in Biology (Springer, 2006), pp. 435-460.