Molecular-level changes of aqueous poly(N-isopropylacrylamide) in phase transition

I Juurinen; S Galambosi; Adina Anghelescu-Hakala; J Koskelo; V Honkimäki; K Hämäläinen; S Huotari; M Hakala

doi:10.1021/jp501913p

Molecular-level changes of aqueous poly(N-isopropylacrylamide) in phase transition

I Juurinen (Corresponding Author), S Galambosi, Adina Anghelescu-Hakala, J Koskelo, V Honkimäki, K Hämäläinen, S Huotari, M Hakala (Corresponding Author)

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Abstract

We report a Compton scattering study on the molecular-level structural changes of aqueous poly(N-isopropylacrylamide) (PNIPAM) across the conformational phase transition. PNIPAM is a thermoresponsive polymer that changes its conformation in water from the hydrophilic coil state to the collapsed hydrophobic globule state at 32 °C. Combined with density functional theory calculations, the Compton scattering experiments detect two type of changes in the phase transition. The amount of hydrogen bonds is found to reduce, and an elongation of the internal covalent bond lengths is observed. The elongation of the bonds indicates that not only the hydrogen bonding changes but there are other processes, most likely related to hydrophobic interaction, that should be taken into account in the phase transition.

Original language	English
Pages (from-to)	5518-5523
Number of pages	6
Journal	Journal of Physical Chemistry B
Volume	118
Issue number	20
DOIs	https://doi.org/10.1021/jp501913p
Publication status	Published - 2014
MoE publication type	A1 Journal article-refereed

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title = "Molecular-level changes of aqueous poly(N-isopropylacrylamide) in phase transition",

abstract = "We report a Compton scattering study on the molecular-level structural changes of aqueous poly(N-isopropylacrylamide) (PNIPAM) across the conformational phase transition. PNIPAM is a thermoresponsive polymer that changes its conformation in water from the hydrophilic coil state to the collapsed hydrophobic globule state at 32 °C. Combined with density functional theory calculations, the Compton scattering experiments detect two type of changes in the phase transition. The amount of hydrogen bonds is found to reduce, and an elongation of the internal covalent bond lengths is observed. The elongation of the bonds indicates that not only the hydrogen bonding changes but there are other processes, most likely related to hydrophobic interaction, that should be taken into account in the phase transition.",

author = "I Juurinen and S Galambosi and Adina Anghelescu-Hakala and J Koskelo and V Honkim{\"a}ki and K H{\"a}m{\"a}l{\"a}inen and S Huotari and M Hakala",

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journal = "Journal of Physical Chemistry B",

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T1 - Molecular-level changes of aqueous poly(N-isopropylacrylamide) in phase transition

AU - Juurinen, I

AU - Galambosi, S

AU - Anghelescu-Hakala, Adina

AU - Koskelo, J

AU - Honkimäki, V

AU - Hämäläinen, K

AU - Huotari, S

AU - Hakala, M

PY - 2014

Y1 - 2014

N2 - We report a Compton scattering study on the molecular-level structural changes of aqueous poly(N-isopropylacrylamide) (PNIPAM) across the conformational phase transition. PNIPAM is a thermoresponsive polymer that changes its conformation in water from the hydrophilic coil state to the collapsed hydrophobic globule state at 32 °C. Combined with density functional theory calculations, the Compton scattering experiments detect two type of changes in the phase transition. The amount of hydrogen bonds is found to reduce, and an elongation of the internal covalent bond lengths is observed. The elongation of the bonds indicates that not only the hydrogen bonding changes but there are other processes, most likely related to hydrophobic interaction, that should be taken into account in the phase transition.

AB - We report a Compton scattering study on the molecular-level structural changes of aqueous poly(N-isopropylacrylamide) (PNIPAM) across the conformational phase transition. PNIPAM is a thermoresponsive polymer that changes its conformation in water from the hydrophilic coil state to the collapsed hydrophobic globule state at 32 °C. Combined with density functional theory calculations, the Compton scattering experiments detect two type of changes in the phase transition. The amount of hydrogen bonds is found to reduce, and an elongation of the internal covalent bond lengths is observed. The elongation of the bonds indicates that not only the hydrogen bonding changes but there are other processes, most likely related to hydrophobic interaction, that should be taken into account in the phase transition.

U2 - 10.1021/jp501913p

DO - 10.1021/jp501913p

M3 - Article

SN - 1520-6106

VL - 118

SP - 5518

EP - 5523

JO - Journal of Physical Chemistry B

JF - Journal of Physical Chemistry B

IS - 20

ER -

Molecular-level changes of aqueous poly(N-isopropylacrylamide) in phase transition

Abstract

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