Molecular modeling of responsive polymer films

AIChE Journal

Volumn 56, Issue 8, 2010, Pages 1952-1959

  Tagliazucchi, Mario ^a   Calvo, Ernesto J ^a   Szleifer, Igal ^b  

^a UNIVERSIDAD DE BUENOS AIRES   (Argentina)

^b Northwestern University   (United States)

Author keywords

Charge regulation; Domain formation; Molecular theories; Switchable surfaces

Indexed keywords

EID: 77958549698     PISSN: 00011541     EISSN: 15475905     Source Type: Journal    
DOI: 10.1002/aic.12317     Document Type: Article

References (40)

1. Cohen Stuart MA, Huck WTS, Genzer J, Müller M, Ober C, Stamm M, Sukhorukov GB, Szleifer I, Tsukruk VV, Urban M, Winnik F, Zauscher S, Luzinov I, Minok S. Emerging applications of stimuli-responsive polymer materials. Nature Mater. 2010;9(2):101-113.
2. Russell TP. Surface-responsive materials. Science. 2002; 297(5583):964-967.
3. Wu T, Genzer J, Gong P, Szleifer I, Vlcek P, Subr V. Behavior of surface-anchored poly(acrylic acid) brushes with grafting density gradients on solid substrates. In: Brittain B, Advincula R, Caster K, eds. Polymer Brushes. Weinheim, Germany: Wiley-VCH; 2004:287-315.
4. Israëls R, Leermakers FAM, Fleer GJ. On the theory of grafted weak polyacids. Macromolecules. 1994;27(11): 3087-3093.
5. Lahann J, Mitragotri S, Tran TN, Kaido H, Sundaram J, Choi IS, Hoffer S, Somorjai GA, Langer R. A reversibly switching surface. Science. 2003;299(5605):371-374.
6. Yameen B, Ali M, Neumann R, Ensinger W, Knoll W, Azzaroni O. Synthetic proton-gated ion channels via single solid-state nanochannels modified with responsive polymer brushes. Nano Lett. 2009;9(7):2788-2793.
7. Tam TK, Ornatska M, Pita M, Minko S, Katz E. Polymer brush-modified electrode with switchable and tunable redox activity for bioelectronic applications. J Phys Chem C. 2008;112:8438-8445.
8. Zhai L, Nolte AJ, Cohen RE, Rubner M. pH-Gated porosity transitions of polyelectrolyte multilayers in confined geometries and their application as tunable Bragg reflectors. Macromolecules. 2004;37:6113-6123.
9. Zhou F, Shu W, Welland ME, Huck WTS. Highly reversible and multi-stage cantilever actuation driven by polyelectrolyte brushes. J Am Chem Soc. 2006;128(16): 5326-5327.
10. Ebara M, Yamato M, Aoyagi T, Kikuchi A, Sakai K, Okano T. Temperature-responsive cell culture surfaces enable "on-off" affinity control between cell integrins and RGDS ligands. Biomacromolecules. 2004;5(2):505-510.
11. Oishi M, Hayashi H, Iijima M, Nagasaki Y. Endosomal release and intracellular delivery of anticancer drugs using pH-sensitive PEGylated nanogels. J Mater Chem. 2007;17(35):3720-3725.
12. Hiller J, Mendelsohn JD, Rubner MF. Reversibly erasable nanoporous anti-reflection coatings from polyelectrolyte multilayers. Nature Mater. 2002;1(1):59-63.
13. Christian DA, Tian A, Ellenbroek WG, Levental I, Rajagopal K, Janmey PA, Liu AJ, Baumgart T, Discher DE. Spotted vesicles, striped micelles and Janus assemblies induced by ligand binding. Nature Mater. 2009;8(10): 843-849.
14. Schomburg D, Schomburg I, Chang A. Springer Handbook of Enzymes. Berlin: Springer Verlag; 2009.
15. Chen J, Brooks Iii CL, Khandogin J. Recent advances in implicit solvent-based methods for biomolecular simulations. Curr Opin Struct Biol. 2008;18(2):140-148.
16. Panagiotopoulos AZ. Charge correlation effects on ionization of weak polyelectrolytes. J Phys Condens Matter. 2009;21:424113.
17. Wenning L, Müller M, Binder K. How does the pattern of grafting points influence the structure of one-component and mixed polymer brushes? Europhys Lett. 2005;71(4):639-645.
18. Carrillo JMY, Dobrynin AV. Morphologies of planar polyelectrolyte brushes in a poor solvent: Molecular dynamics simulations and scaling analysis. Langmuir. 2009;25(22):13158-13168.
19. Zhulina EB, Singh C, Balazs AC. Forming patterned films with tethered diblock copolymers. Macromolecules. 1996;29(19):6338-6348.
20. Mendez S, Curro JG, McCoy JD, Lopez GP. Computational modeling of the temperature-induced structural changes of tethered poly(N-isopropylacrylamide) with self-consistent field theory. Macromolecules. 2005; 38(1):174-181.
21. Nap R, Gong P, Szleifer I. Weak polyelectrolytes tethered to surfaces: effect of geometry, acid-base equilibrium and electrical permittivity. J Polym Sci Part B. 2006;44:2638-2662.
22. Tagliazucchi M, Calvo EJ, Szleifer I. Molecular theory of chemically modified electrodes by redox polyelectrolytes under equilibrium conditions: Comparison with experiment. J Phys Chem C. 2008;112(2):458-471.
23. Tagliazucchi M, De La Cruz MO, Szleifer I. Self-organization of grafted polyelectrolyte layers via the coupling of chemical equilibrium and physical interactions. Procf Nat Acad Sci USA. 2010;107(12):5300-5305.
24. Ben-Shaul A, Szleifer I, Gelbart WM. Statistical thermodynamics of amphiphile chains in micelles. Proc Nat Acad Sci USA. 1984;81:4601-4605.
25. Flexer V, Forzani ES, Calvo EJ, Ludueña SJ, Pietrasanta LI. Structure and thickness dependence of "molecular wiring" in nanostructured enzyme multilayers. Anal Chem. 2006;78(2):399-407.
26. Szamocki R, Flexer V, Levin L, Forchiasin F, Calvo EJ. Oxygen cathode based on a layer-by-layer selfassembled laccase and osmium redox mediator. Electrochim Acta. 2009;54(7):1970-1977.
27. Tagliazucchi M, Calvo EJ, Szleifer I. Redox and acidbase coupling in ultrathin polyelectrolyte films. Langmuir. 2008;24(6):2869-2877.
28. Tagliazucchi M, Calvo EJ, Szleifer I. A molecular theory of chemically modified electrodes with selfassembled redox polyelectrolye thin films: Reversible cyclic voltammetry. Electrochim Acta. 2008;53(23): 6740-6752.
29. Doblhofer K, Vorotyntsev M. Fundamentals. In: Lyons MEG, ed. Electroactive Polymer Electrochemistry. New York: Plenum; 1994:375.
30. Tagliazucchi M, Williams FJ, Calvo EJ. Effect of acidbase equilibria on the Donnan potential of layer-by-layer redox polyelectrolyte multilayers. J Phys Chem B. 2007;111:8105-8113.
31. Schmaljohann D. Thermo-and pH-responsive polymers in drug delivery. Adv Drug Delivery Rev. 2006;58: 1655-1670.
32. Yoshida M, Lahann J. Smart nanomaterials. ACS Nano. 2008;2(6):1101-1107.
33. Flory PJ. Principles of Polymer Chemistry. Ithaca, NY: Cornell University Press; 1953.
34. Netz RR, Andelman D. Neutral and charged polymers at interfaces. Phys Rep. 2003;380:1-95.
35. de Gennes P-G. Scaling Concepts in Polymer Physics. Ithaca, NY: Cornell University Press; 1979.
36. Williams DRM. Grafted polymers in bad solvents: octopus surface micelles. J Phys II. 1993;3:1313-1318.
37. Santer S, Kopyshev A, Donges J, Yang H-K, Ruhe J. Dynamically reconfigurable polymer films: Impact on nanomotion Adv Mater. 2006;18:2359-2362.
38. Pattanayek SK, Pham TT, Pereira GG. Morphological structures formed by grafted polymers in poor solvents. J Chem Phys. 2005;122(21):214908(1)-214908(14).
39. Yin Y, Sun P, Li B, Chen T, Jin Q, Ding D, Shi A-C. A simulated annealing study of diblock copolymer brushes in selective solvents. Macromolecules. 2007;40(14): 5161-5170.
40. Gong P, Genzer J, Szleifer I. Phase behavior and charge regulation of weak polyelectrolyte grafted layers. Phys Rev Lett. 2007;98(1):018302-018304.