Superselective Adsorption of Multivalent Polymer Chains to a Surface with Receptors

Hao-zhi Huang; Yu-hao Chen; Wan-cheng Yu; Kai-fu Luo

doi:10.1063/1674-0068/29/cjcp1603060

Article Contents

Article Navigation > Chinese Journal of Chemical Physics > 2016 > 29(5): 564-570

Hao-zhi Huang, Yu-hao Chen, Wan-cheng Yu, Kai-fu Luo. Superselective Adsorption of Multivalent Polymer Chains to a Surface with Receptors[J]. Chinese Journal of Chemical Physics , 2016, 29(5): 564-570. doi: 10.1063/1674-0068/29/cjcp1603060

Citation:

Hao-zhi Huang, Yu-hao Chen, Wan-cheng Yu, Kai-fu Luo. Superselective Adsorption of Multivalent Polymer Chains to a Surface with Receptors[J]. Chinese Journal of Chemical Physics , 2016, 29(5): 564-570. doi: 10.1063/1674-0068/29/cjcp1603060

Superselective Adsorption of Multivalent Polymer Chains to a Surface with Receptors

doi: 10.1063/1674-0068/29/cjcp1603060

CAS Key Laboratory of Soft Matter Chemistry, Department of Polymer Science and Engineering, University of Science and Technology of China, Hefei 230026, China

Received Date: 2016-03-29
Rev Recd Date: 2016-05-17

Abstract

Multivalent polymer chains exhibit excellent prospect in biomedical applications by serving as therapeutic agents. Using three-dimensional (3D) Langevin dynamics simulations, we investigate adsorption behaviors of multivalent polymer chains to a surface with receptors. Multivalent polymer chains display superselective adsorption. Furthermore, the range of density of surface receptors at which a multivalent polymer chain displays a superselective behavior, narrows down for chains with higher density of ligands. Meanwhile, the optimal density of surface receptors where the highest superselectivity is achieved, decreases with increasing the density of ligands. Then, the conformational properties of bound multivalent chains are studied systematically. Interestingly, we find that the equilibrium radius of gyration R_g and its horizontal component have a maximum as a function of the density of surface receptors. The scaling exponents of R_g with the length of chain suggest that with increasing the density of surface receptors., the conformations of a bound multivalent polymer chain first fall in between those of a two-dimensional (2D) and a 3D chain, while it is slightly collapsed subsequently.
- Multivalent polymers,
- Langevin dynamics simulations,
- Superselective adsorption

References

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[2]	P. I. Kitov, J. M. Sadowska, G. Mulvey, G. D. Armstrong, H. Ling, N. S. Pannu, R. J. Read, and D. R. Bundle, Nature 403, 669 (2000).
[3]	A. C. Obermeyer, S. L. Capehart, J. B. Jarman, and M. B. Francis, Plos One 9, 100678 (2014).
[4]	S. Rinker, Y. Ke, Y. Liu, R. Chhabra, and H. Yan, Nat. Nanotech. 3, 418 (2008).
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[7]	N. Brabez, R. M. Lynch, L. P. Xu, R. J. Gillies, G. Chassaing, S. Lavielle, and V. J. Hruby, J. Med. Chem. 54, 7375 (2011).
[8]	A. Bandyopadhyay, R. L. Fine, S. Demento, L. K. Bockenstedt, and T. M. Fahmy, Biomaterials 32, 3094 (2011).
[9]	K. Krannig and H. Schlaad, Soft Matter 10, 4228 (2014).
[10]	H. Connaris, E. A. Govorkova, Y. Ligertwood, B. M. Dutia, L. Yang, S. Tauber, M. A. Taylor, N. Alias, R. Hagan, A. A. Nash, R. G. Webster, and G. L. Taylor, Proc. Natl. Acad. Sci. USA 111, 6401 (2014).
[11]	A. Schroeder, D. A. Heller, M. M. Winslow, J. E. Dahlman, G. W. Pratt, R. Langer, T. Jacks, and D. G. Anderson, Nat. Rev. Cancer 12, 39 (2012).
[12]	J. Vonnemann, C. Sieben, C. Wol, K. Ludwig, C. Böttcher, A. Herrmann, and R. Haag, Nanoscale 6, 2353 (2014).
[13]	C. Yang, M. Cao, H. Liu, Y. He, J. Xu, Y. Du, Y. Liu, W. Wang, L. Cui, J. Hu, and F. Gao, J. Biol. Chem. 287, 43094 (2012).
[14]	J. Lesley, V. C. Hascall, M. Tammi, and R. Hyman, J. Biol. Chem. 275, 26967 (2000).
[15]	J. E. Gestwicki, C. W. Cairo, L. E. Strong, K. A. Oetjen, and L. L. Kiessling, J. Am. Chem. Soc. 124, 14922 (2002).
[16]	M. Kanai, K. H. Mortell, and L. L. Kiessling, J. Am. Chem. Soc. 119, 9931 (1997).
[17]	C. W. Cairo, J. E. Gestwicki, M. Kanai, and L. L. Kiessling, J. Am. Chem. Soc. 124, 1615 (2002).
[18]	T. A. Shewmake, F. J. Solis, R. J. Gillies, and M. R. Caplan, Biomacromolecules 9, 3057 (2008).
[19]	K. Godula and C. R. Bertozzi, J. Am. Chem. Soc. 134, 15732 (2012).
[20]	P. I. Kitov and D. R. Bundle, J. Am. Chem. Soc. 125, 16271 (2003).
[21]	D. J. Diestler and E. W. Knapp, Phys. Rev. Lett. 100, 178101 (2008).
[22]	S.Wang and E. E. Dormidontova, Phys. Rev. Lett. 109, 238102 (2012).
[23]	J. Huskens, A. Mulder, T. Auletta, C. A. Nijhuis, M. J. W. Ludden, and D. N. Reinhoudt, J. Am. Chem. Soc. 126, 6784 (2004).
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[25]	J. D. Badjić, S. J. Cantrill, and J. F. Stoddart, J. Am. Chem. Soc. 126, 2288 (2004).
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[27]	P. M. Wolny, S. Banerji, C. Gounou, A. R. Brisson, and A. J. Day, J. Biol. Chem. 285, 30170 (2010).
[28]	F. J. Martinez-Veracoechea and D. Frenkel, Proc. Natl. Acad. Sci. USA 108, 10963 (2011).
[29]	B. E. Collins and J. C. Paulson, Curr. Opin. Chem. Biol. 8, 617 (2004).
[30]	P. M. Morse, Phys. Rev. 34, 57 (1929).
[31]	D. Chandler, Introduction to Modern Statistical Mechanics, New York: Oxford University Press, USA, (1987).
[32]	D. L. Ermak and H. Buckholz, J. Comput. Phys. 35, 169 (1980).
[33]	M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids, New York: Oxford University, (1987).
[34]	A. Conway, T. Vazin, D. P. Spelke, N. A. Rode, K. E. Healy, R. S. Kane, and D. V. Schaffer, Nat. Nanotech. 8, 831 (2013).
[35]	N. Horan, L. Yan, H. Isobe, G. M. Whitesides, and D. Kahne, Proc. Natl. Acad. Sci. USA 96, 11782 (1999).
[36]	V. Kudryashov, P. W. Glunz, L. J. Williams, S. Hintermann, S. J. Danishefsky, and K. O. Lloyd, Proc. Natl. Acad. Sci. USA 98, 3264 (2001).
[37]	G. V. Dubacheva, T. Curk, B. M. Mognetti, R. Auzély-Velty, D. Frenkel, and R. P. Richter, J. Am. Chem. Soc. 136, 1722 (2014).
[38]	G. V. Dubacheva, A. V. D. Heyden, P. Dumy, O. Kaftan, R. Auzély-Velty, L. Coche-Guerente, and P. Labbé, Langmuir 26, 13976 (2010).
[39]	R. Descas, J. U. Sommer, and A. Blumen, J. Chem. Phys. 124, 094701 (2006).
[40]	P. G. de Gennes, Scaling Concepts in Polymer Physics, New York: Cornell University Press, Ithaca, (1979).
[41]	J. Sleeman, W. Rudy, M. Hofmann, J. Moll, P. Herrlich, and H. Ponta, Polymers at Interfaces, London: Chapman Hall, (1993).
[42]	W. Reisnera, N. B. Larsend, H. Flyvbjerg, J. O. Tegenfeldtc, and A. Kristensenb, Proc. Natl. Acad. Sci. USA 106, 79 (2009).

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Superselective Adsorption of Multivalent Polymer Chains to a Surface with Receptors

CAS Key Laboratory of Soft Matter Chemistry, Department of Polymer Science and Engineering, University of Science and Technology of China, Hefei 230026, China

Received Date: 2016-03-29

Rev Recd Date: 2016-05-17

Key words:

Abstract: Multivalent polymer chains exhibit excellent prospect in biomedical applications by serving as therapeutic agents. Using three-dimensional (3D) Langevin dynamics simulations, we investigate adsorption behaviors of multivalent polymer chains to a surface with receptors. Multivalent polymer chains display superselective adsorption. Furthermore, the range of density of surface receptors at which a multivalent polymer chain displays a superselective behavior, narrows down for chains with higher density of ligands. Meanwhile, the optimal density of surface receptors where the highest superselectivity is achieved, decreases with increasing the density of ligands. Then, the conformational properties of bound multivalent chains are studied systematically. Interestingly, we find that the equilibrium radius of gyration R_g and its horizontal component have a maximum as a function of the density of surface receptors. The scaling exponents of R_g with the length of chain suggest that with increasing the density of surface receptors., the conformations of a bound multivalent polymer chain first fall in between those of a two-dimensional (2D) and a 3D chain, while it is slightly collapsed subsequently.

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Reference (42)

[1]	M. D. Disney, J. Zheng, T. M. Swager, and P. H. Seeberger, J. Am. Chem. Soc. 126, 13343 (2004).
[2]	P. I. Kitov, J. M. Sadowska, G. Mulvey, G. D. Armstrong, H. Ling, N. S. Pannu, R. J. Read, and D. R. Bundle, Nature 403, 669 (2000).
[3]	A. C. Obermeyer, S. L. Capehart, J. B. Jarman, and M. B. Francis, Plos One 9, 100678 (2014).
[4]	S. Rinker, Y. Ke, Y. Liu, R. Chhabra, and H. Yan, Nat. Nanotech. 3, 418 (2008).
[5]	M. Mammen, S. Choi, and G. M. Whitesides, Angew. Chem. Int. Ed. 37, 2754 (1998).
[6]	C. Fasting, C. A. Schalley, M.Weber, O. Seitz, S. Hecht, B. Koksch, J. Dernedde, C. Graf, E. Knapp, and R. Haag, Angew. Chem. Int. Ed. 51, 10472 (2012).
[7]	N. Brabez, R. M. Lynch, L. P. Xu, R. J. Gillies, G. Chassaing, S. Lavielle, and V. J. Hruby, J. Med. Chem. 54, 7375 (2011).
[8]	A. Bandyopadhyay, R. L. Fine, S. Demento, L. K. Bockenstedt, and T. M. Fahmy, Biomaterials 32, 3094 (2011).
[9]	K. Krannig and H. Schlaad, Soft Matter 10, 4228 (2014).
[10]	H. Connaris, E. A. Govorkova, Y. Ligertwood, B. M. Dutia, L. Yang, S. Tauber, M. A. Taylor, N. Alias, R. Hagan, A. A. Nash, R. G. Webster, and G. L. Taylor, Proc. Natl. Acad. Sci. USA 111, 6401 (2014).
[11]	A. Schroeder, D. A. Heller, M. M. Winslow, J. E. Dahlman, G. W. Pratt, R. Langer, T. Jacks, and D. G. Anderson, Nat. Rev. Cancer 12, 39 (2012).
[12]	J. Vonnemann, C. Sieben, C. Wol, K. Ludwig, C. Böttcher, A. Herrmann, and R. Haag, Nanoscale 6, 2353 (2014).
[13]	C. Yang, M. Cao, H. Liu, Y. He, J. Xu, Y. Du, Y. Liu, W. Wang, L. Cui, J. Hu, and F. Gao, J. Biol. Chem. 287, 43094 (2012).
[14]	J. Lesley, V. C. Hascall, M. Tammi, and R. Hyman, J. Biol. Chem. 275, 26967 (2000).
[15]	J. E. Gestwicki, C. W. Cairo, L. E. Strong, K. A. Oetjen, and L. L. Kiessling, J. Am. Chem. Soc. 124, 14922 (2002).
[16]	M. Kanai, K. H. Mortell, and L. L. Kiessling, J. Am. Chem. Soc. 119, 9931 (1997).
[17]	C. W. Cairo, J. E. Gestwicki, M. Kanai, and L. L. Kiessling, J. Am. Chem. Soc. 124, 1615 (2002).
[18]	T. A. Shewmake, F. J. Solis, R. J. Gillies, and M. R. Caplan, Biomacromolecules 9, 3057 (2008).
[19]	K. Godula and C. R. Bertozzi, J. Am. Chem. Soc. 134, 15732 (2012).
[20]	P. I. Kitov and D. R. Bundle, J. Am. Chem. Soc. 125, 16271 (2003).
[21]	D. J. Diestler and E. W. Knapp, Phys. Rev. Lett. 100, 178101 (2008).
[22]	S.Wang and E. E. Dormidontova, Phys. Rev. Lett. 109, 238102 (2012).
[23]	J. Huskens, A. Mulder, T. Auletta, C. A. Nijhuis, M. J. W. Ludden, and D. N. Reinhoudt, J. Am. Chem. Soc. 126, 6784 (2004).
[24]	V. M. Krishnamurthy, V. Semetey, P. J. Bracher, N. Shen, and G. M. Whitesides, J. Am. Chem. Soc. 129, 1312 (2007).
[25]	J. D. Badjić, S. J. Cantrill, and J. F. Stoddart, J. Am. Chem. Soc. 126, 2288 (2004).
[26]	E. Migliorini, D. Thakar, R. Sadir, T. Pleiner, F. Baleux, H. Lortat-Jacob, L. Coche-Guerente, and R. P. Richter, Biomaterials 35, 8903 (2014).
[27]	P. M. Wolny, S. Banerji, C. Gounou, A. R. Brisson, and A. J. Day, J. Biol. Chem. 285, 30170 (2010).
[28]	F. J. Martinez-Veracoechea and D. Frenkel, Proc. Natl. Acad. Sci. USA 108, 10963 (2011).
[29]	B. E. Collins and J. C. Paulson, Curr. Opin. Chem. Biol. 8, 617 (2004).
[30]	P. M. Morse, Phys. Rev. 34, 57 (1929).
[31]	D. Chandler, Introduction to Modern Statistical Mechanics, New York: Oxford University Press, USA, (1987).
[32]	D. L. Ermak and H. Buckholz, J. Comput. Phys. 35, 169 (1980).
[33]	M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids, New York: Oxford University, (1987).
[34]	A. Conway, T. Vazin, D. P. Spelke, N. A. Rode, K. E. Healy, R. S. Kane, and D. V. Schaffer, Nat. Nanotech. 8, 831 (2013).
[35]	N. Horan, L. Yan, H. Isobe, G. M. Whitesides, and D. Kahne, Proc. Natl. Acad. Sci. USA 96, 11782 (1999).
[36]	V. Kudryashov, P. W. Glunz, L. J. Williams, S. Hintermann, S. J. Danishefsky, and K. O. Lloyd, Proc. Natl. Acad. Sci. USA 98, 3264 (2001).
[37]	G. V. Dubacheva, T. Curk, B. M. Mognetti, R. Auzély-Velty, D. Frenkel, and R. P. Richter, J. Am. Chem. Soc. 136, 1722 (2014).
[38]	G. V. Dubacheva, A. V. D. Heyden, P. Dumy, O. Kaftan, R. Auzély-Velty, L. Coche-Guerente, and P. Labbé, Langmuir 26, 13976 (2010).
[39]	R. Descas, J. U. Sommer, and A. Blumen, J. Chem. Phys. 124, 094701 (2006).
[40]	P. G. de Gennes, Scaling Concepts in Polymer Physics, New York: Cornell University Press, Ithaca, (1979).
[41]	J. Sleeman, W. Rudy, M. Hofmann, J. Moll, P. Herrlich, and H. Ponta, Polymers at Interfaces, London: Chapman Hall, (1993).
[42]	W. Reisnera, N. B. Larsend, H. Flyvbjerg, J. O. Tegenfeldtc, and A. Kristensenb, Proc. Natl. Acad. Sci. USA 106, 79 (2009).

Superselective Adsorption of Multivalent Polymer Chains to a Surface with Receptors

doi: 10.1063/1674-0068/29/cjcp1603060

Abstract

References

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