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 Td 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.

Proteinlike dynamical transition of hydrated polymer chains / Tavagnacco, L.; Zanatta, M.; Buratti, E.; Rosi, B.; Frick, B.; Natali, F.; Ollivier, J.; Chiessi, E.; Bertoldo, M.; Zaccarelli, E.; Orecchini, A.. - In: PHYSICAL REVIEW RESEARCH. - ISSN 2643-1564. - ELETTRONICO. - 3:1(2021), pp. 013191.1-013191.11. [10.1103/PhysRevResearch.3.013191]

Proteinlike dynamical transition of hydrated polymer chains

Zanatta, M.;
2021

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 Td 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.
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Tavagnacco, L.; Zanatta, M.; Buratti, E.; Rosi, B.; Frick, B.; Natali, F.; Ollivier, J.; Chiessi, E.; Bertoldo, M.; Zaccarelli, E.; Orecchini, A.
Proteinlike dynamical transition of hydrated polymer chains / Tavagnacco, L.; Zanatta, M.; Buratti, E.; Rosi, B.; Frick, B.; Natali, F.; Ollivier, J.; Chiessi, E.; Bertoldo, M.; Zaccarelli, E.; Orecchini, A.. - In: PHYSICAL REVIEW RESEARCH. - ISSN 2643-1564. - ELETTRONICO. - 3:1(2021), pp. 013191.1-013191.11. [10.1103/PhysRevResearch.3.013191]
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/11572/295826
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