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In this paper we use an off-lattice bead-spring model to study the behaviors of polymer chain confined in an infinite cylinder by Monte Carlo simulations. Our simulation results show that when the bending energy b increases in the presence of the adsorption energy of the inner-surface of cylinder, the polymer chain is first randomly attracted on the inner surface of cylinder, and then gradually takes on helix structure, and finally is stretched into the rod-like structure. In order to understand the process of structure transition of polymer chain, we calculate the average of number of helical turns per chain Nt, the average percentage Ph of beads of helical structure per chain and the energy fluctuations with different values of bending energy b. The confined semirigid chain can form helical structure with the appropriate bending energy and the proper radius of cylinder. This study can help us understand the conformational behaviors of biopolymers in confined space.
[1] Guan Z Q, Xue Y P, Lin H, He G L,Wu C X 2006 Acta Phys. Sin.55 460 (in Chinese) [关治强, 薛岩频, 林海, 何贵丽, 吴晨旭 2006 55 460]
[2] Jiang S C, Zhang L X, Xia A G, Chen H P 2009 Acta Phys. Sin.59 4337 (in Chinese) [江绍钏, 章林溪, 夏阿根, 陈宏平 2010 59 4337]
[3] Jiang S C, Zhang L X, Xia A G, Chen H P, Cheng J 2010 Chin.Phys. B 19 018106
[4] Wang Y, Xie Y J, Yang H Y, Zhang X Y 2010 Chin. J. Chem.Phys. 23 313
[5] Snir Y, Kamien R 2005 Science 307 1067
[6] Han Y, Zhao L,Ying J Y 2007 Adv. Mat. 19 2454
[7] Gurevitch I, Srebnik S 2007 Chem. Phys. Lett. 444 96
[8] Gurevitch I, Srebnik S 2008 J. Chem. Phys. 128 144901
[9] Morrison G, Thirumalai D 2009 Phys. Rev. E 79 011924
[10] Angelescu D G, Linse P, Nguyen T T, Bruinsma R F 2008 Eur.Phys. J. E 25 323
[11] Yang Z Y, Zhang D, Zhang L X, Chen H P, Rehman A, Liang H J2011 Soft Matter 7 6836
[12] Zhang D, Yang Z Y,Wen X H, Xiang Z H, He L L, Ran S Y, ZhangL X, Liang H J 2011 J. Phys. Chem. B 115 14333
[13] Nakano T, Okamoto Y 2001 Chem. Rev. 101 4013
[14] Kruse K, Joanny J F, Jülicher F, Prost J, Sekimoto K 2004 Phys.Rev. Lett. 92 078101
[15] Metropolis N, Rosenbluth A W, Rosenbluth M N, Teller A H,Teller E 1953 J. Chem. Phys. 21 1087
[16] Odijk T 1993 Macromolecules 26 6897
[17] Burkhardt T W 1997 J. Phys. A 30 L167
[18] Lamura A, Burkhardt T W, Gompper G 2004 Phys. Rev. E 70051804
[19] Su J Y, Zhang L X, Liang H J 2008 J. Chem. Phys. 129 044905
[20] Zhou Y, Hall C K, Karplus M 1996 Phys. Rev. Lett. 77 2822
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[1] Guan Z Q, Xue Y P, Lin H, He G L,Wu C X 2006 Acta Phys. Sin.55 460 (in Chinese) [关治强, 薛岩频, 林海, 何贵丽, 吴晨旭 2006 55 460]
[2] Jiang S C, Zhang L X, Xia A G, Chen H P 2009 Acta Phys. Sin.59 4337 (in Chinese) [江绍钏, 章林溪, 夏阿根, 陈宏平 2010 59 4337]
[3] Jiang S C, Zhang L X, Xia A G, Chen H P, Cheng J 2010 Chin.Phys. B 19 018106
[4] Wang Y, Xie Y J, Yang H Y, Zhang X Y 2010 Chin. J. Chem.Phys. 23 313
[5] Snir Y, Kamien R 2005 Science 307 1067
[6] Han Y, Zhao L,Ying J Y 2007 Adv. Mat. 19 2454
[7] Gurevitch I, Srebnik S 2007 Chem. Phys. Lett. 444 96
[8] Gurevitch I, Srebnik S 2008 J. Chem. Phys. 128 144901
[9] Morrison G, Thirumalai D 2009 Phys. Rev. E 79 011924
[10] Angelescu D G, Linse P, Nguyen T T, Bruinsma R F 2008 Eur.Phys. J. E 25 323
[11] Yang Z Y, Zhang D, Zhang L X, Chen H P, Rehman A, Liang H J2011 Soft Matter 7 6836
[12] Zhang D, Yang Z Y,Wen X H, Xiang Z H, He L L, Ran S Y, ZhangL X, Liang H J 2011 J. Phys. Chem. B 115 14333
[13] Nakano T, Okamoto Y 2001 Chem. Rev. 101 4013
[14] Kruse K, Joanny J F, Jülicher F, Prost J, Sekimoto K 2004 Phys.Rev. Lett. 92 078101
[15] Metropolis N, Rosenbluth A W, Rosenbluth M N, Teller A H,Teller E 1953 J. Chem. Phys. 21 1087
[16] Odijk T 1993 Macromolecules 26 6897
[17] Burkhardt T W 1997 J. Phys. A 30 L167
[18] Lamura A, Burkhardt T W, Gompper G 2004 Phys. Rev. E 70051804
[19] Su J Y, Zhang L X, Liang H J 2008 J. Chem. Phys. 129 044905
[20] Zhou Y, Hall C K, Karplus M 1996 Phys. Rev. Lett. 77 2822
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