不同pH环境下二价离子对聚电解质链的影响

doi:10.3976/j.issn.1002-4026.2019.04.013

Abstract

Abstract: In this study, the effect of divalent counterions on the conformational change of the semi-flexible polyelectrolyte chains was investigated at different pH based on Langevin’s dynamics. Polyelectrolyte is represented by a coarse-grained bead spring model, with the radius of gyration (Rg) remaining almost constant at pH-pK>0. Rg reduces and the polyelectrolyte chain shrinks as the value of pH-pK decreases. Meanwhile, in the experiment, the atomic force microscopy images of the DNA mediated by Mg²⁺ were obtained in different pH environments to denote that the DNA remained in a free and loose state in neutral and weakly acidic environments. At pH<4, i.e., strong acidity, DNA was gradually condensed into a spherical shape and stabilized. Further, the experimental result agrees with the simulation results.

Key words: Langevin’s dynamics, counter ion, polyelectrolyte, pH, DNA

CLC Number:

LI Shu-hang, ZHU Ze-dong, XU Zi-yan, YANG Guang-can. Effect of divalent ions on the polyelectrolyte chains at different pH[J].Shandong Science, 2019, 32(4): 94-100.

References 19

1	THOMAS T, THOMAS T J. Polyamines in cell growth and cell death:Molecular mechanisms and therapeutic applications[J]. Cellular and Molecular Life Sciences, 2001, 58(2):244-258. doi: 10.1007/PL00000852
2	JANMEY P A, SLOCHOWER D R, WANG Y H, et al. Polyelectrolyte properties of filamentous biopolymers and their consequences in biological fluids[J]. Soft Matter, 2014, 10(10):1439-1449. doi: 10.1039/c3sm50854d
3	WONG G C L, POLLACK L. Electrostatics of strongly charged biological polymers: Ion-mediated interactions and self-organization in nucleic acids and proteins[J]. Annual Review of Physical Chemistry, 2010, 61(1):171-189. doi: 10.1146/annurev.physchem.58.032806.104436
4	MANNING G S. Limiting laws and counterion condensation in polyelectrolyte solutions I. Colligative properties[J].Journal of Chemical Physics, 1969, 51:924-933. doi: 10.1063/1.1672157
5	MANNING G S. Counterion condensation theory constructed from different models [J]. Physics A: Statistical Mechanics and its Applications, 1996,231(1/2/3):236-253. doi: 10.1016/0378-4371(95)00452-1
6	MANNING G S. The critical onset of counterion condensation:A survey of its experimental and theoretical basis[J]. Physical Chemistry Chemical Physics, 1996, 100(6):909-922. doi: 10.1002/bbpc.19961000637
7	KATCHALSKY A . Polyelectrolytes and their biological interactions[J]. Biophysical Journal, 1964, 4(1):9-41. doi: 10.1016/S0006-3495(64)86924-1
8	OU Z Y,MUTHUKUMAR M.Langevin dynamics of semiflexible polyelec-trolytes:Rod-toroid-globule-coil structures and counterion distribution[J].Journal of Chemical Physics, 2005, 123(7):74905-74913. doi: 10.1063/1.1940054
9	HOFZUMAHAUS C, HEBBEKER P, SCHNEIDER S. Monte Carlo simulations of weak polyelectrolyte microgels: pH-dependence of conformation and ionization[J]. Soft Matter, 2018, 14(20): 4087-4100. doi: 10.1039/C7SM02528A
10	STEVENS M J, KREMER K. The nature of flexible linear polyelectrolytes in salt free solution: A molecular dynamics study[J]. Journal of Chemical Physics, 1995, 103(4):1669-1690. doi: 10.1063/1.470698
11	WINKLER R G, GOLD M, REINEKER P. Collapse of polyelectrolyte macromolecules by counterion condensation and ion pair formation: a molecular dynamics simulation study[J]. Physical Review Letters, 1998, 80(17):3731-3734. doi: 10.1103/PhysRevLett.80.3731
12	YETHIRAJ A,SHEW C Y . Structure of polyelectrolyte solutions[J]. Physical Review Letters, 1996, 77(18):3937-3940. doi: 10.1103/physrevlett.77.3937
13	YETHIRAJ A. Conformational properties and static structure factor of polyelectrolyte solutions[J]. Physical Review Letters, 1997, 78(19):3789-3792. doi: 10.1103/PhysRevLett.78.3789
14	STEVENS M J . Simple simulations of DNA condensation[J]. Biophysical Journal, 2001, 80(1):130-139. doi: 10.1016/S0006-3495(01)76000-6
15	MADSHUS I H. Regulation of intracellular pH in eukaryotic cells[J]. Biochemical Journal, 1988, 250(1):1-8. doi: 10.1042/bj2500001
16	ZHOU K J, LIU H M, ZHANG S R, et al . Multicolored pH-tunable and activatable fluorescence nanoplatform responsive to physiologic pH stimuli[J]. Journal of the American Chemical Society, 2012, 134(18):7803-7811. doi: 10.1021/ja300176w
17	GALLAGHER F A, KETTUNEN M I, DAY S E, et al . Magnetic resonance imaging of pH in vivo using hyperpolarized 13C-labelled bicarbonate[J]. Nature 2008, 453(7197):940-943. doi: 10.1038/nature07017
18	MODI S, NIZAK C, SURANA S, et al. Two DNA nanomachines map pH changes along intersecting endocytic pathways inside the same cell[J]. Nature, Nanotechnology, 2013, 8(6):459-467. doi: 10.1038/nnano.2013.92
19	REED C E, REED W F. Monte Carlo study of titration of linear polyelectrolytes[J].The Journal of Chemical Physics, 1992,96(2):1609-1620. doi: 10.1063/1.462145

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Effect of divalent ions on the polyelectrolyte chains at different pH

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