Page 27 - 精细化工2019年第9期

第 9 期 张记刚，等: 表面活性剂自组装的分子动力学模拟进展 ·1755·

and Engineering Aspects, 2016, 494: 74-80. [31] Sun Xiaofeng(孙晓峰), Li Hongguang(李洪光). Carbon quantum
[12] Ziserman L, Abezgauz L, Ramon O, et al. Origins of the viscosity dot-doped worm-like micelles[J]. Daily Chemical Industry(日用化学
peak in wormlike micellar solutions. 1. Mixed catanionic surfactants. 工业), 2018, 48(9): 483-488.
A cryo-transmission electron microscopy study[J]. Langmuir, 2009, [32] Sangwai A V, Sureshkumar R. Coarse-grained molecular dynamics
25(18): 10483-10489. simulations of the sphere to rod transition in surfactant micelles[J].
[13] Croce V, Cosgrove T, Maitland G, et al. Rheology, cryogenic Langmuir, 2011, 27(11): 6628-6638.
transmission electron spectroscopy, and small-angle neutron [33] Sangwai A V, Sureshkumar R. Binary interactions and salt-induced
scattering of highly viscoelastic wormlike micellar solutions[J]. coalescence of spherical micelles of cationic surfactants from molecular
Langmuir, 2003, 19(20): 8536-8541. dynamics simulations[J]. Langmuir, 2012, 28(2): 1127-1135.
[14] Berendsen H J C, Postma J P M, van Gunsteren W F, et al. Molecular [34] Dhakal S, Sureshkumar R. Topology, length scales, and energetics of
dynamics with coupling to an external bath[J]. Journal of Chemical surfactant micelles[J]. Journal of Chemical Physics, 2015, 143(2):
Physics, 1984, 81(8): 3684-3690. 024905.
[15] Sun H. Compass: an ab initio force-field optimized for condensed- [35] Velinova M, Sengupta D, Tadjer A V, et al. Sphere-to-rod transitions
phase applications-overview with details on alkane and benzene of nonionic surfactant micelles in aqueous solution modeled by
compounds[J]. Journal of Physical Chemistry B, 1998, 102(38): molecular dynamics simulations[J]. Langmuir, 2011, 27(23): 14071-
7338-7364. 14077.
[16] Marrink S J, Risselada H J, Yefimov S, et al. The martini force field: [36] Touve M A, Figg C A, Wright D B, et al. Polymerization-induced
coarse grained model for biomolecular simulations[J]. Journal of self-assembly of micelles observed by liquid cell transmission
Physical Chemistry B, 2007, 111(27): 7812-7824. electron microscopy[J]. ACS Central Science, 2018, 4(5): 543-547.
[17] Aoyagi T, Sawa F, Shoji T, et al. A general-purpose coarse-grained [37] Dhakal S, Sureshkumar R. Anomalous diffusion and stress relaxation
molecular dynamics program[J]. Computer Physics Communications, in surfactant micelles[J]. Physical Review E, 2017, 96(1): 012605.
2002, 145(2): 267-279. [38] Marrink S J, Mark A E. Molecular dynamics simulation of the formation,
[18] Groot R D, Warren P B. Dissipative particle dynamics: Bridging the structure, and dynamics of small phospholipid vesicles[J]. Journal of
gap between atomistic and mesoscopic simulation[J]. Journal of the American Chemical Society, 2003, 125(49): 15233-15242.
Chemical Physics, 1997, 107(11): 4423-4435. [39] Arai N, Yoshimoto Y, Yasuoka K, et al. Self-assembly behaviours of
[19] Smit B, Esselink K, Hilbers Pa J, et al. Computer simulations of primitive and modern lipid membrane solutions: a coarse-grained
surfactant self-assembly[J]. Langmuir, 1993, 9(1): 9-11. molecular simulation study[J]. Physical Chemistry Chemical Physics,
[20] Danov K D, Kralchevsky P A, Ananthapadmanabhan K P. Micelle– 2016, 18(28): 19426-19432.
monomer equilibria in solutions of ionic surfactants and in ionic– [40] Chng C P. Effect of simulation temperature on phospholipid bilayer-
nonionic mixtures: A generalized phase separation model[J]. Advances vesicle transition studied by coarse-grained molecular dynamics
in Colloid and Interface Science, 2014, 206(2): 17-45. simulations[J]. Soft Matter, 2013, 9(30): 7294-7301.
[21] Tang X, Koenig P H, Larson R G. Molecular dynamics simulations of [41] Janke J J, Bennett W F, Tieleman D P. Oleic acid phase behavior
sodium dodecyl sulfate micelles in water-the effect of the force field from molecular dynamics simulations[J]. Langmuir, 2014, 30(35):
[J]. Journal of Physical Chemistry B, 2014, 118(14): 3864-3880. 10661-10667.
[22] Long J A, Rankin B M, Ben-Amotz D. Micelle structure and [42] Wang P, Ma Y, Liu Z, et al. Vesicle formation of catanionic mixtures
hydrophobic hydration[J]. Journal of the American Chemical Society, of CTAC/SDS induced by ratio: a coarse-grained molecular dynamic
2015, 137(33): 10809-10815. simulation study[J]. RSC Advances, 2016, 6(16): 13442-13449.
[23] Ritter E, Yordanova D, Gerlach T, et al. Molecular dynamics [43] Wang P, Pei S, Wang M, et al. Coarse-grained molecular dynamics
simulations of various micelles to predict micelle water partition study on the self-assembly of Gemini surfactants: the effect of spacer
equilibria with cosmomic: influence of micelle size and structure[J]. length[J]. Physical Chemistry Chemical Physics, 2017, 19(6): 4462-
Fluid Phase Equilibria, 2016, 422(25): 43-55. 4468.
[24] Sammalkorpi M, Karttunen M, Haataja M. Ionic surfactant aggregates [44] Kalluri R. The biology and function of exosomes in cancer[J].
in saline solutions: sodium dodecyl sulfate (SDS) in the presence of Journal of Clinical Investigation, 2016, 126(4): 1208-1215.
excess sodium chloride (NaCl) or calcium chloride (CaCl 2)[J]. [45] Sezgin E, Levental I, Mayor S, et al. The mystery of membrane
Journal of Physical Chemistry B, 2009, 113(17): 5863-5870. organization: composition, regulation and roles of lipid rafts[J].
[25] Kuo M Y, Yang H C, Hua C Y, et al. Computer simulation of ionic Nature Reviews Molecular Cell Biology, 2017, 18(6): 361-374.
and nonionic mixed surfactants in aqueous solution[J]. Chem Phys [46] Mazur F, Bally M, Städler B, et al. Liposomes and lipid bilayers in
Chem, 2004, 5(4): 575-580. biosensors[J]. Advances in Colloid and Interface Science, 2017,
[26] Wang S, Larson R G. Coarse-grained molecular dynamics simulation 249(5): 88-99.
of self-assembly and surface adsorption of ionic surfactants using an [47] Singh P. SPR biosensors: Historical perspectives and current
implicit water model[J]. Langmuir, 2015, 31(4): 1262-1271. challenges[J]. Sensors and Actuators B: Chemical, 2016, 229:
[27] Levine B G, Lebard D N, Devane R, et al. Micellization studied by 110-130.
GPU-accelerated coarse-grained molecular dynamics[J]. Journal of [48] Osaki T, Takeuchi S. Artificial cell membrane systems for biosensing
Chemical Theory and Computation, 2011, 7(12): 4135-4145. applications[J]. Analytical Chemistry, 2016, 89(1): 216-231.
[28] Karaborni S, Esselink K, Hilberts P A J, et al. Simulating the [49] Shinoda W, Devane R, Klein M L. Multi-property fitting and
self-assembly of Gemini (dimeric) surfactants[J]. Science, 1994, parameterization of a coarse grained model for aqueous surfactants
266(14): 254-256. [J]. Molecular Simulation, 2007, 33(1/2): 27-36.
[29] Arai N, Yasuoka K, Masubuchi Y. Spontaneous self-assembly [50] Shelley J C, Shelley M Y, Reeder R C, et al. A coarse grain model for
process for threadlike micelles[J]. Journal of Chemical Physics, phospholipid simulations[J]. Journal of Physical Chemistry B, 2001,
2007, 126(24): 244905. 105(19): 4464-4470.
[30] Wang P, Pei S, Wang M, et al. Study on the transformation from [51] Shelley J C, Shelley M Y, Reeder R C, et al. Simulations of
linear to branched wormlike micelles: An insight from molecular phospholipids using a coarse grain model[J]. Journal of Physical
dynamics simulation[J]. Journal of Colloid and Interface Science, Chemistry B, 2001, 105(40): 9785-9792.
2017, 494(15): 47-53. [52] Marrink S J, De Vries A H, Mark A E. Coarse grained model for