Relating side chain organization of PNIPAm with its conformation in aqueous methanol

Debashish Mukherji; Manfred Wagner; Mark D. Watson; Svenja Winzen; Tiago E. De Oliveira; Carlos M. Marques; Kurt Kremer

doi:10.1039/c6sm01789d

Relating side chain organization of PNIPAm with its conformation in aqueous methanol

Debashish Mukherji, Manfred Wagner, Mark D. Watson, Svenja Winzen, Tiago E. De Oliveira, Carlos M. Marques, Kurt Kremer

Chemistry

Research output: Contribution to journal › Article › peer-review

75 Scopus citations

Abstract

Combining nuclear magnetic resonance (NMR), dynamic light scattering (DLS), and μs long all-atom simulations with two million particles, we establish a delicate correlation between increased side chain organization of PNIPAm and its collapse in aqueous methanol mixtures. We find that the preferential binding of methanol with PNIPAm side chains, bridging distal monomers along the polymer backbone, results in increased organization. Furthermore, methanol-PNIPAm preferential binding is dominated by hydrogen bonding. Our findings reveal that the collapse of PNIPAm is dominated by enthalpic interactions and that the standard poor solvent (entropic) effects play no major role.

Original language	English
Pages (from-to)	7995-8003
Number of pages	9
Journal	Soft Matter
Volume	12
Issue number	38
DOIs	https://doi.org/10.1039/c6sm01789d
State	Published - 2016

Bibliographical note

Publisher Copyright:
© 2016 The Royal Society of Chemistry.

ASJC Scopus subject areas

General Chemistry
Condensed Matter Physics

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title = "Relating side chain organization of PNIPAm with its conformation in aqueous methanol",

abstract = "Combining nuclear magnetic resonance (NMR), dynamic light scattering (DLS), and μs long all-atom simulations with two million particles, we establish a delicate correlation between increased side chain organization of PNIPAm and its collapse in aqueous methanol mixtures. We find that the preferential binding of methanol with PNIPAm side chains, bridging distal monomers along the polymer backbone, results in increased organization. Furthermore, methanol-PNIPAm preferential binding is dominated by hydrogen bonding. Our findings reveal that the collapse of PNIPAm is dominated by enthalpic interactions and that the standard poor solvent (entropic) effects play no major role.",

author = "Debashish Mukherji and Manfred Wagner and Watson, {Mark D.} and Svenja Winzen and {De Oliveira}, {Tiago E.} and Marques, {Carlos M.} and Kurt Kremer",

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year = "2016",

doi = "10.1039/c6sm01789d",

language = "English",

volume = "12",

pages = "7995--8003",

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T1 - Relating side chain organization of PNIPAm with its conformation in aqueous methanol

AU - Mukherji, Debashish

AU - Wagner, Manfred

AU - Watson, Mark D.

AU - Winzen, Svenja

AU - De Oliveira, Tiago E.

AU - Marques, Carlos M.

AU - Kremer, Kurt

PY - 2016

Y1 - 2016

N2 - Combining nuclear magnetic resonance (NMR), dynamic light scattering (DLS), and μs long all-atom simulations with two million particles, we establish a delicate correlation between increased side chain organization of PNIPAm and its collapse in aqueous methanol mixtures. We find that the preferential binding of methanol with PNIPAm side chains, bridging distal monomers along the polymer backbone, results in increased organization. Furthermore, methanol-PNIPAm preferential binding is dominated by hydrogen bonding. Our findings reveal that the collapse of PNIPAm is dominated by enthalpic interactions and that the standard poor solvent (entropic) effects play no major role.

AB - Combining nuclear magnetic resonance (NMR), dynamic light scattering (DLS), and μs long all-atom simulations with two million particles, we establish a delicate correlation between increased side chain organization of PNIPAm and its collapse in aqueous methanol mixtures. We find that the preferential binding of methanol with PNIPAm side chains, bridging distal monomers along the polymer backbone, results in increased organization. Furthermore, methanol-PNIPAm preferential binding is dominated by hydrogen bonding. Our findings reveal that the collapse of PNIPAm is dominated by enthalpic interactions and that the standard poor solvent (entropic) effects play no major role.

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DO - 10.1039/c6sm01789d

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SP - 7995

EP - 8003

JO - Soft Matter

JF - Soft Matter

IS - 38

ER -

Relating side chain organization of PNIPAm with its conformation in aqueous methanol

Abstract

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