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)

    Research output: Contribution to journalArticleScientificpeer-review

    10 Citations (Scopus)

    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 languageEnglish
    Pages (from-to)5518-5523
    Number of pages6
    JournalThe Journal of Physical Chemistry B
    Volume118
    Issue number20
    DOIs
    Publication statusPublished - 2014
    MoE publication typeA1 Journal article-refereed

    Fingerprint

    Compton scattering
    Phase transitions
    elongation
    Elongation
    Hydrogen bonds
    Covalent bonds
    globules
    Chemical bonds
    covalent bonds
    Bond length
    scattering
    Density functional theory
    Conformations
    Polymers
    coils
    hydrogen bonds
    density functional theory
    Water
    polymers
    hydrogen

    Cite this

    Juurinen, I., Galambosi, S., Anghelescu-Hakala, A., Koskelo, J., Honkimäki, V., Hämäläinen, K., ... Hakala, M. (2014). Molecular-level changes of aqueous poly(N-isopropylacrylamide) in phase transition. The Journal of Physical Chemistry B, 118(20), 5518-5523. https://doi.org/10.1021/jp501913p
    Juurinen, I ; Galambosi, S ; Anghelescu-Hakala, Adina ; Koskelo, J ; Honkimäki, V ; Hämäläinen, K ; Huotari, S ; Hakala, M. / Molecular-level changes of aqueous poly(N-isopropylacrylamide) in phase transition. In: The Journal of Physical Chemistry B. 2014 ; Vol. 118, No. 20. pp. 5518-5523.
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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",
    year = "2014",
    doi = "10.1021/jp501913p",
    language = "English",
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    journal = "The Journal of Physical Chemistry B",
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    Juurinen, I, Galambosi, S, Anghelescu-Hakala, A, Koskelo, J, Honkimäki, V, Hämäläinen, K, Huotari, S & Hakala, M 2014, 'Molecular-level changes of aqueous poly(N-isopropylacrylamide) in phase transition', The Journal of Physical Chemistry B, vol. 118, no. 20, pp. 5518-5523. https://doi.org/10.1021/jp501913p

    Molecular-level changes of aqueous poly(N-isopropylacrylamide) in phase transition. / Juurinen, I (Corresponding Author); Galambosi, S; Anghelescu-Hakala, Adina; Koskelo, J; Honkimäki, V; Hämäläinen, K; Huotari, S; Hakala, M (Corresponding Author).

    In: The Journal of Physical Chemistry B, Vol. 118, No. 20, 2014, p. 5518-5523.

    Research output: Contribution to journalArticleScientificpeer-review

    TY - JOUR

    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.

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    DO - 10.1021/jp501913p

    M3 - Article

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    JO - The Journal of Physical Chemistry B

    JF - The Journal of Physical Chemistry B

    SN - 1520-6106

    IS - 20

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