Combining elastic incoherent neutron scattering experiments at different resolutions with molecular dynamics simulations, we report the observation of a proteinlike dynamical transition in linear chains of poly(N-isopropylacrylamide). We identify the onset of the transition at a temperature T-d of about 225 K. Due to a global fit procedure, we find quantitative agreement between measured and calculated polymer mean-squared displacements at all temperatures and time resolutions. Our results confirm the generality of the dynamical transition in macromolecular systems in aqueous environments, independently of the internal polymer topology.

Tavagnacco, L., Zanatta, M., Buratti, E., Rosi, B., Frick, B., Natali, F., et al. (2021). Proteinlike dynamical transition of hydrated polymer chains. PHYSICAL REVIEW RESEARCH, 3(1) [10.1103/PhysRevResearch.3.013191].

Proteinlike dynamical transition of hydrated polymer chains

Chiessi, E;
2021-01-01

Abstract

Combining elastic incoherent neutron scattering experiments at different resolutions with molecular dynamics simulations, we report the observation of a proteinlike dynamical transition in linear chains of poly(N-isopropylacrylamide). We identify the onset of the transition at a temperature T-d of about 225 K. Due to a global fit procedure, we find quantitative agreement between measured and calculated polymer mean-squared displacements at all temperatures and time resolutions. Our results confirm the generality of the dynamical transition in macromolecular systems in aqueous environments, independently of the internal polymer topology.
2021
Pubblicato
Rilevanza internazionale
Articolo
Esperti anonimi
Settore CHIM/02 - CHIMICA FISICA
English
Con Impact Factor ISI
polymer dynamics; molecular dynamics simulation; PNIPAM
Tavagnacco, L., Zanatta, M., Buratti, E., Rosi, B., Frick, B., Natali, F., et al. (2021). Proteinlike dynamical transition of hydrated polymer chains. PHYSICAL REVIEW RESEARCH, 3(1) [10.1103/PhysRevResearch.3.013191].
Tavagnacco, L; Zanatta, M; Buratti, E; Rosi, B; Frick, B; Natali, F; Ollivier, J; Chiessi, E; Bertoldo, M; Zaccarelli, E; Orecchini, A
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/2108/280375
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