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20:9997–10010
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behavior of grafted thermo-responsive PNIPAAm brushes. Soft Matter 12:3093–3102
217. Min SH, Kwak SK Kim BS (2015) Atomistic simulation for coil-to-globule transition of
poly(2-dimethylaminoethyl methacrylate). Soft Matter 11:2423–2433
218. Samsonova O, Glinca S, Biela A, Pfeiffer C, Dayyoub E, Sahin D, Klebe G, Kissel T (2013)
The use of isothermal titration calorimetry and molecular dynamics to show variability in
DNA transfection performance. Acta Biomater 9:4994–5002
219. Gangemi F, Longhi G, Abbate S, Lebon F, Cordone R, Ghilardi GP, Fornili SL (2008)
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
112:11896–11906
220. Tamai Longhi Y, Tanaka H, Nakanishi K (1996) Molecular dynamics study of polymer–
water interaction in hydrogels. 2. Hydrogen-bond dynamics. Macromolecules 29:6761–6769
221. Caykara T, Kiper S, Demirel G (2006) Network parameters and volume phase transition
behavior of poly(N-isopropylacrylamide) hydrogels. J Appl Polym Sci 101:1756–1762
222. Tucker AK, Stevens MJ (2012) Study of the polymer length dependence of the single chain
transition temperature in syndiotactic poly(N-isopropylacrylamide) oligomers in water.
Macromolecules 45:6697–6703
223. Shan J, Zhao Y, Granqvist N, Tenhu H (2009) Thermoresponsive properties of Nisopropylacrylamide oligomer brushes grafted to gold nanoparticles: effects of molar mass
and gold core size. Macromolecules 42:2696–2701
224. Deshmukh SA, Kamath G, Suthar KJ, Mancini DC, Sankaranarayanan SKRS (2014)
Non-equilibrium effects evidenced by vibrational spectra during the coil-to-globule
transition in poly(N-isopropylacrylamide) subjected to an ultrafast heating–cooling cycle.
Soft Matter 10:1462–1480
225. Paradossi G, Chiessi E (2017) Tacticity-dependent interchain interactions of poly(Nisopropylacrylamide) in water: toward the molecular dynamics simulation of a thermoresponsive microgel. Gels 3:13
226. Abbott LJ, Tucker AK, Stevens MJ (2015) Single chain structure of a poly(Nisopropylacrylamide) surfactant in water. J Phys Chem B 119:3837–3845
227. Du H, Wickramasinghe R, Qian X (2010) Effects of salt on the lower critical solution
temperature of poly (N-isopropylacrylamide). J Phys Chem B 114:16594–16604
228. Han X, Feng J, Dong F, Zhang X, Liu H, Hu Y (2014) Thermo-/pH-responsive behaviours
of base-rich diblock polyampholytes in aqueous solution: experiment and simulation. Mol
Phys 112:2046–2057
229. Kai K, Diannan L, Zheng L (2012) Temperature-triggered protein adsorption and desorption
on temperature-responsive PNIPAAm-grafted-silica: molecular dynamics simulation and
experimental validation. Chin J Chem Eng 20:284–293
230. Lin H-C, Hsieh B-Z, Lin Y-L, Sheng Y-J, Lin J-J (2012) Effect of grafting architecture on
the surfactant-like behavior of clay-poly(NiPAAm) nanohybrids. J Coll Interface Sci
387:106–114
231. Wang L, Zhao X, Zhang Y, Zhang W, Ren T, Chen Z, Wang F, Yang H (2015) Fabrication
of intelligent poly(N-isopropylacrylamide)/silver nanoparticle composite films with dynamic
surface-enhanced Raman scattering effect. RSC Adv 5:40437–40443
270
M. Kozanecki et al.
structures of poly(vinyl methyl ether). Chin J Polym Sci 34:1396–1410
214. Tavagnacco L, Zaccarelli E, Chiessi E (2018) On the molecular origin of the cooperative
coil-to-globule transition of poly(N-isopropylacrylamide) in water. Phys Chem Chem Phys
20:9997–10010
215. Walter J, Ermatchkov V, Vrabec J, Hasse H (2010) Molecular dynamics and experimental
study of conformation change of poly(N-isopropylacrylamide) hydrogels in water. Fluid
Phase Equilib 296:164–172
216. Bhandary M, Benkova Cordeiro MN, Singh JK (2016) Molecular dynamics study of wetting
behavior of grafted thermo-responsive PNIPAAm brushes. Soft Matter 12:3093–3102
217. Min SH, Kwak SK Kim BS (2015) Atomistic simulation for coil-to-globule transition of
poly(2-dimethylaminoethyl methacrylate). Soft Matter 11:2423–2433
218. Samsonova O, Glinca S, Biela A, Pfeiffer C, Dayyoub E, Sahin D, Klebe G, Kissel T (2013)
The use of isothermal titration calorimetry and molecular dynamics to show variability in
DNA transfection performance. Acta Biomater 9:4994–5002
219. Gangemi F, Longhi G, Abbate S, Lebon F, Cordone R, Ghilardi GP, Fornili SL (2008)
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
112:11896–11906
220. Tamai Longhi Y, Tanaka H, Nakanishi K (1996) Molecular dynamics study of polymer–
water interaction in hydrogels. 2. Hydrogen-bond dynamics. Macromolecules 29:6761–6769
221. Caykara T, Kiper S, Demirel G (2006) Network parameters and volume phase transition
behavior of poly(N-isopropylacrylamide) hydrogels. J Appl Polym Sci 101:1756–1762
222. Tucker AK, Stevens MJ (2012) Study of the polymer length dependence of the single chain
transition temperature in syndiotactic poly(N-isopropylacrylamide) oligomers in water.
Macromolecules 45:6697–6703
223. Shan J, Zhao Y, Granqvist N, Tenhu H (2009) Thermoresponsive properties of Nisopropylacrylamide oligomer brushes grafted to gold nanoparticles: effects of molar mass
and gold core size. Macromolecules 42:2696–2701
224. Deshmukh SA, Kamath G, Suthar KJ, Mancini DC, Sankaranarayanan SKRS (2014)
Non-equilibrium effects evidenced by vibrational spectra during the coil-to-globule
transition in poly(N-isopropylacrylamide) subjected to an ultrafast heating–cooling cycle.
Soft Matter 10:1462–1480
225. Paradossi G, Chiessi E (2017) Tacticity-dependent interchain interactions of poly(Nisopropylacrylamide) in water: toward the molecular dynamics simulation of a thermoresponsive microgel. Gels 3:13
226. Abbott LJ, Tucker AK, Stevens MJ (2015) Single chain structure of a poly(Nisopropylacrylamide) surfactant in water. J Phys Chem B 119:3837–3845
227. Du H, Wickramasinghe R, Qian X (2010) Effects of salt on the lower critical solution
temperature of poly (N-isopropylacrylamide). J Phys Chem B 114:16594–16604
228. Han X, Feng J, Dong F, Zhang X, Liu H, Hu Y (2014) Thermo-/pH-responsive behaviours
of base-rich diblock polyampholytes in aqueous solution: experiment and simulation. Mol
Phys 112:2046–2057
229. Kai K, Diannan L, Zheng L (2012) Temperature-triggered protein adsorption and desorption
on temperature-responsive PNIPAAm-grafted-silica: molecular dynamics simulation and
experimental validation. Chin J Chem Eng 20:284–293
230. Lin H-C, Hsieh B-Z, Lin Y-L, Sheng Y-J, Lin J-J (2012) Effect of grafting architecture on
the surfactant-like behavior of clay-poly(NiPAAm) nanohybrids. J Coll Interface Sci
387:106–114
231. Wang L, Zhao X, Zhang Y, Zhang W, Ren T, Chen Z, Wang F, Yang H (2015) Fabrication
of intelligent poly(N-isopropylacrylamide)/silver nanoparticle composite films with dynamic
surface-enhanced Raman scattering effect. RSC Adv 5:40437–40443
270
M. Kozanecki et al.