Cononsolvency of poly-N-isopropyl acrylamide (PNIPAM): Microgels versus linear chains and macrogels

Current Opinion in Colloid and Interface Science

Volumn 19, Issue 2, 2014, Pages 84-94

  Scherzinger, Christine ^a   Schwarz, Annett ^a   Bardow, André ^a   Leonhard, Kai ^a   Richtering, Walter ^a  

^a RWTH AACHEN UNIVERSITY   (Germany)

Author keywords

Computer simulation; Cononsolvency; Methanol; Microgels; Poly N isopropyl acryl amide

Indexed keywords

CHAINS; COMPUTER SIMULATION; METHANOL; MIXTURES; MOLECULAR DYNAMICS; ORGANIC SOLVENTS;

ACRYL AMIDES; CONONSOLVENCY; EXPERIMENTAL APPROACHES; MICRO-GELS; MOLECULAR DYNAMICS SIMULATIONS; POLY-N-ISOPROPYL ACRYLAMIDE; QUANTUM-MECHANICAL CALCULATION; WATER/METHANOL MIXTURE;

GELS;

METHANOL; POLY(N ISOPROPYLACRYLAMIDE); SOLVENT; WATER;

CONONSOLVENCY; CROSS LINKING; DIFFERENTIAL SCANNING CALORIMETRY; ELECTRON SPIN RESONANCE; GEL; INFRARED SPECTROSCOPY; LIGHT SCATTERING; MACROGEL; MOLECULAR DYNAMICS; MOLECULAR WEIGHT; PHASE TRANSITION; QUANTUM MECHANICS; REVIEW; SOLVENT EFFECT; TEMPERATURE; TEMPERATURE DEPENDENCE; THEORETICAL MODEL; THEORETICAL STUDY; TURBIDIMETRY;

EID: 84901982744     PISSN: 13590294     EISSN: 18790399     Source Type: Journal    
DOI: 10.1016/j.cocis.2014.03.011     Document Type: Review

References (120)

1. Pelton R. Temperature-sensitive aqueous microgels. Adv Colloid Interface Sci 2000, 85:1-33.
2. Ward M.A., Georgiou T.K. Thermoresponsive polymers for biomedical applications. Polymer 2011, 3(3):1215-1242.
3. Liu R., Fraylich M., Saunders B.R. Thermoresponsive copolymers: from fundamental studies to applications. Colloid Polym Sci 2009, 287:627-643.
4. Al-Manasir N., Zhu K., Kjoniksen A.-L., Knudsen K.D., Karlsson G.r., Nyström B. Effects of temperature and pH on the contraction and aggregation of microgels in aqueous suspensions. J Phys Chem B 2009, 113(32):11115-11123.
5. Schild H.G. Poly(N-iospropylacylamide): experiment, theory and application. Prog Polym Sci 1992, 17(2):163-249.
6. Stieger M., Richtering W., Pedersen J.S., Lindner P. Small-angle neutron scattering study of structural changes in temperature sensitive microgel colloids. J Chem Phys 2004, 120:6197-6206.
7. Heskins M., Guillet J.E. Solution properties of poly(N-isopropylacrylamide). J Macromol Sci A 1968, 2(8):1441-1455.
8. Pelton R., Chibante P. Preparation of aqueous latices with N-isopropylacrylamide. Colloids Surf 1986, 20(3):247-256.
9. Poschlad K., Enders S. Thermodynamics of aqueous solutions containing poly (N-isopropylacrylamide). J Chem Thermodyn 2011, 43(3):262-269.
10. Afroze F., Nies E., Berghmans H. Phase transitions in the system poly(N-isopropylacrylamide)/water and swelling behaviour of the corresponding networks. J Mol Struct 2000, 554(1):55-68.
11. Arleth L., Xia X., Hjelm R.P., Wu J., Hu Z. Volume transition and internal structures of small poly(N-isopropylacrylamide) microgels. J Polym Sci B 2005, 43(7):849-860.
12. Maeda Y., Higuchi T., Ikeda I. FTIR spectroscopic and calorimetric studies of the phase transitions of N-isopropylacrylamide copolymers in water. Langmuir 2001, 17:7535-7539.
13. Lechner M.D., Gehrke K., Nordmeier E.H. Thermoynamik von Polymerlösungen. Makromolekulare Chemie 2003, vol. 3:178-235. Birkhäuser Verlag, [Auflage].
14. Berndt I., Popescu C., Wortmann F.J., Richtering W. Mechanics versus thermodynamics: swelling in multiple-temperature-sensitive core-shell microgels. Angew Chem Int Ed 2006, 45(7):1081-1085.
15. Amiya T., Hirokawa Y., Hirose Y., Li Y., Tanaka T. Reentrant phase transition of N-isopropylacrylamide gels in mixed solvents. J Chem Phys 1987, 86(4):2375-2379.
16. Lessard D.G., Ousalem M., Zhu X.X. Effect of the molecular weight on the lower critical solution temperature of poly(N, Ndiethylacrylamide) in aqueous solutions. Can J Chem 1870-1874, 2001:79.
17. Estève A., Bail A., Landa G., Dkhissi A., Brut M., Rouhani M.D., et al. A new insight into the understanding of the collapsed form of poly(N-isopropylacrylamide) molecules. Chem Phys 2007, 340:12-16.
18. Tanaka F., Koga T., Kojima H., Xue N., Winnik F.M. Preferential adsorption and co-nonsolvency of thermoresponsive polymers in mixed solvents of water/methanol. Macromolecules 2011, 44:2978-2989.
19. Xu J., Ye J., Liu S. Synthesis of well-defined cyclic poly(N-isopropylacrylamide) via click chemistry and its unique thermal phase transition behavior. Macromolecules 2007, 40(25):9103-9110.
20. Katsumoto Y., Kubosaki N. Tacticity effects on the phase diagram for poly(N-isopropylacrylamide) in water. Macromolecules 2008, 41(15):5955-5956.
21. Ray B., Okamoto Y., Kamigaito M., Sawamoto M., Seno K.-i., Kanaoka S., et al. Effect of tacticity of poly(N-isopropylacrylamide) on the phase separation temperature of its aqueous solutions. Polym J 2005, 37(3):234-237.
22. Autieri E., Chiessi E., Lonardi A., Paradossi G., Sega M. Conformation and dynamics of poly(N-isopropyl acrylamide) trimers in water: a molecular dynamics and metadynamics simulation study. J Phys Chem B 2011, 115(19):5827-5839.
23. Satokawa Y., Shikata T., Tanaka F., Qiu X.-P., Winnik F.M. Hydration and dynamic behavior of a cyclic poly(N-isopropylacrylamide) in aqueous solution: effects of the polymer chain topology. Macromolecules 2009, 42:1400-1403.
24. Sun S., Wu P. Tailoring the morphology of branched poly(N-isopropylacrylamide) via self-condensing atom-transfer radical copolymerization and its unique self-assembly behavior in alcohol. Soft Matter 2011, 7:7526-7531.
25. Lietor-Santos J.J., Gasser U., Vavrin R., Hu Z.B., Fernandez-Nieves A. Structural changes of poly(N-isopropylacrylamide)-based microgels induced by hydrostatic pressure and temperature studied by small angle neutron scattering. J Chem Phys 2010, 133(3):034901-1-034901-6.
26. Pühse M., Keerl M., Scherzinger C., Richtering W., Winter R. Influence of pressure on the state of poly(N-isopropylacrylamide) and poly(N, N-diethylacrylamide) derived polymers in aqueous solution as probed by FTIR-spectroscopy. Polymer 2010, 51:3653-3659.
27. Grobelny S., Hofmann C.H., Erlkamp M., Plamper F.A., Richtering W., Winter R. Conformational changes upon high pressure induced hydration of poly(N-isopropylacrylamide) microgels. Soft Matter 2013, 9(25):5862-5866.
28. Jones C.D., Lyon L.A. Synthesis and characterization of multiresponsive core-shell microgels. Macromolecules 2000, 33:8301-8306.
29. Richtering W., Pich A. The special behaviours of responsive core-shell nanogels. Soft Matter 2012, 8(45):11423-11430.
30. Mardles E.W.J. Study of the solvents of some cellulose esters. J Soc Chem Ind Trans 1923, 42(13):T127-T142.
31. Winnik F.M., Ringsdorf H., Venzmer J. Methanol-water as a co-nonsolvent system for poly(N-isopropylacrylamide). Macromolecules 1990, 23(8):2415-2416.
32. Schild H.G., Muthukumar M., Tirrell D.A. Cononsolvency in mixed aqueous solutions of poly(N-isopropylacrylamide). Macromolecules 1991, 24:948-952.
33. Crowther H.M., Vincent B. Swelling behavior of poly-N-isopropylacrylamide microgel particles in alcoholic solutions. Colloid Polym Sci 1998, 276:46-51.
34. Maeda Y., Sakamoto J., Wang S.-y., Mizuno Y. Lower critical solution temperature behavior of poly(N-(2-ethoxyethyl)acrylamide) as compared with poly(N-isopropylacrylamide). J Phys Chem B 2009, 113:12456-12461.
35. Walter J., Sehet J., Vrabec J., Hasse H. Molecular dynamics and experimental study of conformation change of poly(N-isoporopylacrylamide) hydrogels in mixtures of water and methanol. J Phys Chem B 2012, 116:5251-5259.
36. Ottaviani M.F., Winnik F.M., Bossmann S.H., Turro N.J. Phase separation of poly(N-isopropylacrylamide) in mixtures of water and methanol: a spectroscopic study of the phase-transition process with a polymer tagged with a fluorescent dye and a spin label. Helv Chim Acta 2001, 84:2476-2492.
37. Tao C.-T., Young T.-H. Phase behavior of poly(N-isopropylacrylamide) in water-methanol cononsolvent mixtures and its relevance to membrane formation. Polymer 2005, 46:10077-10084.
38. Liu M., Bian F., Sheng F. FTIR study on molecular structure of poly(N-isopropylacrylamide) in mixed solvent of methanol and water. Eur Polym J 2005, 41:283-291.
39. Tanaka F., Koga T., Winnik F.M. Temperature-responsive polymers in mixed solvents: competitive hydrogen bonds cause cononsolvency. Phys Rev Lett 2008, 101:028302-1-028302-4.
40. Mahdavi H., Sadeghzadeh M., Qazvini N.T. Phase behavior study of poly(N-tertbutylacrylamide-co-acrylamide) in the mixture of water-methanol: the role of polymer-nonsolvent second-order interactions. J Polym Sci 2009, 47(5):455-462.
41. Pagonis K., Bokias G. Upper critical solution temperature-type cononsolvency of poly(N, N-dimethylacrylamide) in water-organic solvent mixtures. Polymer 2004, 45:2149-2153.
42. Orakdogen N., Okay O. Reentrant conformation transition in poly(N, N-dimethylacrylamide) hydrogels in water-organic solvent mixtures. Polymer 2006, 47(2):561.
43. Saunders B.R., Crowther H.M., Vincent B. Poly[(methyl methacrylate)-co-(methacrylic acid)] microgel particles: swelling control using pH, cononsolvency, and osmotic deswelling. Macromolecules 1997, 30(3):482-487.
44. Maeda Y., Nakamura T., Ikeda I. Change in solvation of poly(N, N-diethylacrylamide) during phase transition in aqueous solutions as observed by IR spectroscopy. Macromolecules 2002, 35(27):10172-10177.
45. Maeda Y., Yamabe M. A unique phase behavior of random copolymer of N-isopropylacrylamide and N, N-diethylacrylamide in water. Polymer 2009, 50:519-523.
46. Zhang G., Wu C. The water/methanol complexation induced reentrant coil-to-globule-to-coil transition of individual homopolymer chains in extremely dilute solution. J Am Chem Soc 2001, 123(7):1376-1380.
47. Chee C.K., Hunt B.J., Rimmer S., Soutar I., Swanson L. Time-resolved fluorescence anisotropy studies of the cononsolvency of poly(N-isopropyl acrylamide) in mixtures of methanol and water. Soft Matter 2010, 7:1176-1184.
48. Sui X., Chen Q., Hempenius M.A., Vancso G.J. Probing the collapse dynamics of poly(N-isopropylacrylamide) brushes by AFM: effects of co-nonsolvency and grafting densities. Small 2011, 7(10):1440-1447.
49. Pang X., Wang K., Cui S. Single-chain mechanics of poly(N-isopropyl-acrylamide) in the water/methanol mixed solvent. Polymer 2013, 54(14):3737-3743.
50. Hirotsu S. Phase transition of a polymer gel in pure and mixed solvent media. J Physical Soc Japan 1987, 56(1):233-242.
51. Wang F., Shi Y., Luo S., Chen Y., Zhao J. Conformational transition of poly(N-isopropylacrylamide) single chains in its cononsolvency process: a study by fluorescence correlation spectroscopy and scaling analysis. Macromolecules 2012, 45:9196-9204.
52. Hüther A., Xu X., Maurer G. Swelling of n-isopropyl acrylamide hydrogels in water and aqueous solutions of ethanol and acetone. Fluid Phase Equilib 2004, 219(2):231-244.
53. Hirotsu S., Okajima T., Yamamoto T. Anomalous aggregation pattern observed on gels in mixed solvent. Macromolecules 1995, 28(3):775-777.
54. Zhu P.W., Napper D. Volume phase transitions of poly(N-isopropylacrylamide) latex particles in mixed water-N, N-dimethylformamide solutions. Chem Phys Lett 1996, 256:51-56.
55. Zhu P.W., Napper D. Light scattering studies of poly(N-isopropylacrylamide) microgel particles in mixed water-acetic acid solvents. Macromol Chem Phys 1950-1955, 1999:200.
56. Dalkas G., Pagonis K., Bokias G. Control of the lower critical solution temperature-type cononsolvency properties of poly(N-isopropylacrylamide) in water-dioxane mixtures through copolymerisation with acrylamide. Polymer 2006, 47:243.
57. Yamauchi H., Maeda Y. LCST and UCST behavior of poly(N-isopropylacrylamide) in DMSO/water mixed solvents studied by IR and micro-Raman spectroscopy. J Phys Chem B 2007, 111:12964-12968.
58. Kurnia J.C., Birgersson E., Mujumdar A.S., Tay S.P., Yew Y.K., Li H. Phenomenological model for coupled alcohol and temperature sensitive hydrogels. Int J Appl Mech 2011, 3(2):279-298.
59. Kojima H., Tanaka F. Cooperative hydration induces discontinuous volume phase transition of cross-linked poly(N-isopropylacrylamide) gels in water. Macromolecules 2010, 43:5103-5113.
60. Kojima H., Tanaka F. Reentrant volume phase transition of cross-linked poly(N-isopropylacrylamide) gels in mixed solvents of water/methanol. Soft Matter 2012, 8:3010-3020.
61. Kojima H., Tanaka F., Scherzinger C., Richtering W. Temperature dependent phase behaviour of PNIPAM microgels in mixed water/methanol solvents. J Polym Sci B Polym Phys 2013, 51(14):1100-1111.
62. Oliveira É.D., Silva A.F.S., Freitas R.F.S. Contributions to the thermodynamics of polymer hydrogel systems. Polymer 2004, 45(4):1287-1293.
63. Pang J., Yang H., Ma J., Cheng R. Solvation behaviors of N-isopropylacrylamide in water/methanol mixtures revealed by molecular dynamics simulations. J Phys Chem B 2010, 114(26):8652-8658.
64. Mukherji D., Kremer K. Coil-globule-coil transition of PNIPAm in aqueous methanol: coupling all-atom simulations to semi-grand canonical coarse-grained reservoir. Macromolecules 2013, 46:9158-9163.
65. Meng E.C., Kollman P.A. Molecular dynamics studies of the properties of water around simple organic solutes. J Phys Chem 1996, 100(27):11460-11470.
66. Fidler J., Rodger P.M. Solvation structure around aqueous alcohols. J Phys Chem B 1999, 103(36):7695-7703.
67. Dixit S., Crain J., Poon W.C.K., Finney J.L., Soper A.K. Molecular segregation observed in a concentrated alcohol-water solution. Nature 2002, 416:829-832.
68. González-Salgado D., Nezbeda I. Excess properties of aqueous mixtures of methanol: simulation versus experiment. Fluid Phase Equilib 2006, 240:161-166.
69. Pascal T.A., Goddard W.A. Hydrophobic segregation, phase transitions and the anomalous thermodynamics of water/methanol mixtures. J Phys Chem B 2012, 116(47):13905-13912.
70. Baysal B.M., Karasz F.E. Coil-globule collapse in flexible macromolecules. Macromol Theory Simul 2003, 12(9):627-646.
71. Wu S., Li H., Chen J.P., Lam K.Y. Modeling investigation of hydrogel volume transition. Macromol Theory Simul 2004, 13(1):13-29.
72. Saunders J.R., Abu-Salih S., Khaleque T., Hanula S., Moussa W. Modeling theories of intelligent hydrogel polymers. J Comput Theor Nanosci 2008, 5(10):1942-1960.
73. Kosovan Intelligent hydrogels-progress in colloid and polymer science 2013, vol. 140:205. Springer. G. Sadowski, W. Richtering (Eds.).
74. Winnik F.M., Ottaviani M.F., Bossmann S.H., Garcia-Garibay M., Turro N.J. Cononsolvency of poly(N-isopropylacrylamide) in mixed water-methanol solutions: a look at spin-labeled polymers. Macromolecules 1992, 25:6007.
75. Sun S., Wu P. Role of water/methanol clustering dynamics on thermosensitivity of poly(N-isopropylacrylamide) from spectral and calorimetric insights. Macromolecules 2010, 43:9501-9510.
76. Katsumoto Y., Tanaka T., Ihara K., Koyama M., Ozaki Y. Contribution of Intramolecular CO°°°°°HN hydrogen bonding to the solvent-induced reentrant phase separation of poly(N-isopropylacrylamide). J Phys Chem B 2007, 111:12730-12737.
77. Maeda Y., Higuchi T., Ikeda I. Change in hydration state during the coil-globule transition of aqueous solutions of poly(N-isopropylacrylamide) as evidenced by FTIR spectroscopy. Langmuir 2000, 16(19):7503-7509.
78. Percot A., Zhu X.X., Lafleur M. A simple FTIR spectroscopic method for the determination of the lower critical solution temperature of N-isopropylacrylamide copolymers and related hydrogels. J Polym Sci B 2000, 38(7):907-915.
79. Hirotsu S. Critical points of the volume phase transition in N-isopropylacrylamide gels. J Chem Phys 1988, 88(1):427-431.
80. 1H MAS NMR studies of the phase separation of poly(N-isopropylacrylamide) gel in binary solvents. Langmuir 2009, 25(10):5898-5902.
81. 3 Lewis acid. Langmuir 2010, 26(9):6775-6782.
82. Hofmann C.H., Grobelny S., Erlkamp M., Winter R., Richtering W. Influence of high-pressure on cononsolvency of poly(N-isopropylacrylamide) nanogels in water/methanol mixtures. Polymer 2014, 10.1016/j.polymer.2014.03.006.
83. Ebeling B., Eggers S., Hendrich M., Nitschke A., Vana P. Flipping the pressure- and temperature-dependent cloud-point behavior in the cononsolvency system of poly(N-isopropylacrylamide) in water and ethanol. Macromolecules 2014, 47(4):1462-1469.
84. Richter D., Monkenbusch M., Arbe A. Neutron spin echo in polymer systems. Adv Polym Sci 2005, 174:1-221.
85. Gernandt J., Fenning G., Richtering W., Hanson P. A model describing the internal structure of core/shell hydrogels. Soft Matter 2011, 7:10327-10338.
86. Koizumi S., Monkenbusch M., Richter D., Schwahn D., Farago B. Concentration fluctuations in polymer gel investigated by neutron scattering: static inhomogeneity in swollen gel. J Chem Phys 2004, 121(24):12721-12731.
87. Scherzinger C., Holderer O., Richter D., Richtering W. Polymer dynamics in responsive microgels: influence of cononsolvency and microgel architecture. Phys Chem Chem Phys 2012, 14:2762-2766.
88. Zhu P.W., Napper D.H. Coil-to-globule type transitions and swelling of poly(N-isopropylacrylamide) and poly(acrylamide) at latex interfaces in alcohol-water mixtures. J Colloid Interface Sci 1996, 177(2):343-352.
89. Scherzinger C., Lindner P., Keerl M., Richtering W. Cononsolvency of poly(N, N-diethylacrylamide) (PDEAAM) and poly(N-isopropylacrylamide) (PNIPAM) based microgels in water/methanol mixtures: copolymer vs. core-shell microgel. Macromolecules 2010, 43:6829-6834.
90. Hofmann C.H., Plamper F.A., Scherzinger C., Hietala S., Richtering W. Cononsolvency revisited: solvent entrapment by N-isopropylacrylamide and N, N-diethylacrylamide microgels in different water/methanol mixtures. Macromolecules 2013, 46:523-532.
91. Wang T.G., Liu G., Zhang G., Craig V. Insights into ion specificity in water-methanol mixtures via the reentrant behaviour of polymer. Langmuir 1893-1899, 2012:28.
92. López-León T., Bastos-González D., Ortega-Vinuesa J.L., Elaissari A. Salt effects in the cononsolvency of poly(N-isopropylacrylamide) microgels. ChemPhysChem 2010, 11:188-194.
93. Costa R.O.R., Freitas R.F.S. Phase behavior of poly(N-isopropylacrylamide) in binary aqueous solutions. Polymer 2002, 42(22):5879-5885.
94. Winnik F.M., Ottaviani M.F., Bossmann S.H., Pan W., Garcia-Garibay M., Turro N.J. Cononsolvency of poly(N-isopropylacrylamide): a look at spin-labeled polymers in mixtures of water and tetrahydrofuran. Macromolecules 1993, 26(17):4577-4585.
95. Hao J., Cheng H., Butler P., Zhang L., Han C.C. Origin of cononsolvency, based on the structure of tetrahydrofuran-water mixture. J Chem Phys 2010, 132:154902-01-154902-09.
96. Young T.-H., Chuang W.-Y. Thermodynamic analysis on the cononsolvency of poly (vinyl alcohol) in water-DMSO mixtures through the ternary interaction parameter. J Membr Sci 2002, 210(2):349-359.
97. Biermann U.M., Mikosch W., Dorfmüller T., Eimer W. Comparison of solvent and probe reorientation in polyacrylamide gels. J Phys Chem 1996, 100:1705-1710.
98. Edmondson S., Nguyen N.T., lewis A.L., Armes S.P. Co-nonsolvency effects for surface-initiated poly(2-(methacryloyloxy)ethyl phosphorylcholine) brushes in alcohol/water mixtures. Langmuir 2010, 26(10):7216-7626.
99. Alenichev I., Hanykova L., Ilavsky M. Swelling and mechanical behavior of ionized poly(acrylamide-co-N, N'-diethylacrylamide) gels in water/acetone mixtures and in water at various temperatures. Polym Bull 2007, 58:575-586.
100. Furuncuoǧlu Özaltin T., Deǧirmenci I., Aviyente V., Atilgan C., De Sterck B., Van Speybroeck V., et al. Controlling the tacticity in the polymerization of N-isopropylacrylamide: a computational study. Polymer 2011, 52(24):5503-5512.
101. Walter J., Ermatchkov V., Vrabec J., Hasse H. Molecular dynamics and experimental study of conformation change of poly(N-isopropylacrylamide) hydrogels in water. Fluid Phase Equilib 2010, 296(2):164-172.
102. Pang J., Cheng R., Yang H.U., Ma J. Understanding different LCST levels of poly(n-alkylacrylamide)s by molecular dynamics simulations and quantum mechanics calculations. J Theor Comput Chem 2011, 10(03):359-370.
103. Lee S.G., Pascal T.A., Koh W., Brunello G.F., Goddard W.A., Jang S.S. Deswelling mechanisms of surface-grafted poly(NIPAAm) brush: molecular dynamics simulation approach. J Phys Chem C 2012, 116(30):15974-15985.
104. Alaghemandi M., Spohr E. Molecular dynamics investigation of the thermo-responsive polymer poly(N-isopropylacrylamide). Macromol Theory Simul 2012, 21(2):106-112.
105. Deshmukh S.A., Sankaranarayanan S., Suthar K., Mancini D.C. Role of solvation dynamics and local ordering of water in inducing conformational transitions in poly(N-isopropylacrylamide) oligomers through the LCST. J Phys Chem B 2012, 116(9):2651-2663.
106. Deshmukh S.A., Sankaranarayanan S., Mancini D.C. Vibrational spectra of proximal water in a thermo-sensitive polymer undergoing conformational transition across the lower critical solution temperature. J Phys Chem B 2012, 116(18):5501-5515.
107. Deshmukh S.A., Sankaranarayanan S., Mancini D.C. Atomic scale characterization of the conformational dynamics of a thermo-sensitive and a non-thermo-sensitive oligomer using vibrational spectra obtained from molecular dynamics. Polymer 2012, 53(6):1306-1320.
108. Deshmukh S.A., Li Z., Kamath G., Suthar K.J., Sankaranarayanan S., Mancini D.C. Atomistic insights into solvation dynamics and conformational transformation in thermo-sensitive and non-thermo-sensitive oligomers. Polymer 2013, 54(1):210-222.
109. Tönsing T., Oldiges C. Molecular dynamic simulation study on structure of water in crosslinked poly(N-isopropylacrylamide) hydrogels. Phys Chem Chem Phys 2001, 3(24):5542-5549.
110. Deshmukh S., Mooney D.A., McDermott T., Kulkarni S., MacElroy J.M.D. Molecular modeling of thermo-responsive hydrogels: observation of lower critical solution temperature. Soft Matter 2009, 5(7):1514-1521.
111. Francis R., Jijil C.P., Prabhu C.A., Suresh C.H. Synthesis of poly(N-isopropylacrylamide) copolymer containing anhydride and imide comonomers - a theoretical study on reversal of LCST. Polymer 2007, 48(22):6707-6718.
112. Chiessi E., Lonardi A., Paradossi G. Toward modeling thermoresponsive polymer networks: a molecular dynamics simulation study of N-isopropyl acrylamide co-oligomers. J Phys Chem B 2010, 114(25):8301-8312.
113. Gangemi F., Longhi G., Abbate S., Lebon F., Cordone R., Ghilardi G.P., et al. Molecular dynamics simulation of aqueous solutions of 26-unit segments of p(NIPAAm) and of p(NIPAAm) "doped" with amino acid based comonomers. J Phys Chem B 2008, 112(38):11896-11906.
114. Tanaka F., Koga T., Kojima H., Winnik F.M. Temperature- and tension-induced coil-globule transition of poly(N-isopropylacrylamide) chains in water and mixed solvent of water/methanol. Macromolecules 2009, 42:1321-1330.
115. Arndt M.C., Sadowski G. Modeling poly(N-isopropylacrylamide) hydrogels in water/alcohol mixtures with PC-SAFT. Macromolecules 2012, 45:6686-6696.
116. Arndt M.C., Sadowski G. Intelligent hydrogels. Prog Colloid Polym Sci 2013, 140:175.
117. Du H.B., Wickramasinghe R., Qian X.H. Effects of salt on the lower critical solution temperature of poly (N-isopropylacrylamide). J Phys Chem B 2010, 114(49):16594-16604.
118. Ninni L., Ermatchkov V., Hasse H., Maurer G. Swelling equilibrium of hydrogels of (N-isopropyl acrylamide plus anionic and cationic comonomers) in aqueous solutions of sodium chloride: experimental results and modeling. Fluid Phase Equilib 2013, 337:137-149.
119. Mann B.A.F., Kremer K., Lenz O., Holm C. Hydrogels in poor solvents: a molecular dynamics study. Macromol Theory Simul 2011, 20(8):721-734.
120. Polotsky A.A., Plamper F.A., Borisov O.V. Collapse-to-swelling transitions in pH- and thermoresponsive microgels in aqueous dispersions: the thermodynamic theory. Macromolecules 2013, 46(21):8702-8709.