Structural features of Micelles of Zwitterionic Dodecyl-phosphocholine (C12PC) Surfactants studied by small-angle neutron scattering

Elias Pambou, John Crewe, Mohammed Yaseen, Faheem N. Padia, Sarah Rogers, Dong Wang, Hai Xu, Jian R. Lu

Research output: Contribution to journalArticle

Abstract

Small-angle neutron scattering (SANS) was used to investigate the size and shape of zwitterionic dodecyl phosphocholine (C12PC) micelles formed at various concentrations above its critical micelle concentration (CMC = 0.91 mM). The predominant spherical shape of micelles is revealed by SANS while the average micellar size was found to be broadly consistent with the hydrodynamic diameters determined by dynamic light scattering (DLS). Cryogenic tunneling electron microscopy (cryo-TEM) shows a uniform distribution of structures, proposing micelle monodispersity (Supporting Information). H/D substitution was utilized to selectively label the chain, head, or entire surfactant so that structural distributions within the micellar assembly could be investigated using fully protonated, head-deuterated, and tail-deuterated PC surfactants in D2O and fully deuterated surfactants in H2O. Using the analysis software we have developed, the four C12PC contrasts at a given concentration were simultaneously analyzed using various core–shell models consisting of a hydrophobic core and a shell representing hydrated polar headgroups. Results show that at 10 mM, C12PC micelles can be well represented by a spherical core–shell model with a core radius and shell thicknesses of 16.9 ± 0.5 and 10.2 ± 2.0 Å (total radius 27.1 ± 2.0 Å), respectively, with a surfactant aggregation number of 57 ± 5. As the concentration was increased, the SANS data revealed an increase in core–shell mixing, characterized by the emergence of an intermediate mixing region at the spherical core–shell interface. C12PC micelles at 100 mM were found to have a core radius and shell thicknesses of 19.6 ± 0.5 and 7.8 ± 2.0 Å, with an intermediate mixing region of 3.0 ± 0.5 Å. Further reduction in the shell thickness with concentration was also observed, coupled with an increased mixing of the core and shell regions and a reduction in miceller hydration, suggesting that concentration has a significant influence on surfactant packing and aggregation within micelles.
Original languageEnglish
Pages (from-to)9781-9789
Number of pages9
JournalLangmuir
Volume31
Issue number36
DOIs
Publication statusPublished - 2015
Externally publishedYes

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Micelles
Neutron scattering
Surface-Active Agents
micelles
neutron scattering
Surface active agents
surfactants
radii
Agglomeration
Critical micelle concentration
Dynamic light scattering
dodecylphosphocholine
Hydration
Cryogenics
Electron microscopy
Labels
Substitution reactions
cryogenics
Hydrodynamics
hydration

Cite this

Pambou, Elias ; Crewe, John ; Yaseen, Mohammed ; Padia, Faheem N. ; Rogers, Sarah ; Wang, Dong ; Xu, Hai ; Lu, Jian R. / Structural features of Micelles of Zwitterionic Dodecyl-phosphocholine (C12PC) Surfactants studied by small-angle neutron scattering. In: Langmuir. 2015 ; Vol. 31, No. 36. pp. 9781-9789.
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abstract = "Small-angle neutron scattering (SANS) was used to investigate the size and shape of zwitterionic dodecyl phosphocholine (C12PC) micelles formed at various concentrations above its critical micelle concentration (CMC = 0.91 mM). The predominant spherical shape of micelles is revealed by SANS while the average micellar size was found to be broadly consistent with the hydrodynamic diameters determined by dynamic light scattering (DLS). Cryogenic tunneling electron microscopy (cryo-TEM) shows a uniform distribution of structures, proposing micelle monodispersity (Supporting Information). H/D substitution was utilized to selectively label the chain, head, or entire surfactant so that structural distributions within the micellar assembly could be investigated using fully protonated, head-deuterated, and tail-deuterated PC surfactants in D2O and fully deuterated surfactants in H2O. Using the analysis software we have developed, the four C12PC contrasts at a given concentration were simultaneously analyzed using various core–shell models consisting of a hydrophobic core and a shell representing hydrated polar headgroups. Results show that at 10 mM, C12PC micelles can be well represented by a spherical core–shell model with a core radius and shell thicknesses of 16.9 ± 0.5 and 10.2 ± 2.0 {\AA} (total radius 27.1 ± 2.0 {\AA}), respectively, with a surfactant aggregation number of 57 ± 5. As the concentration was increased, the SANS data revealed an increase in core–shell mixing, characterized by the emergence of an intermediate mixing region at the spherical core–shell interface. C12PC micelles at 100 mM were found to have a core radius and shell thicknesses of 19.6 ± 0.5 and 7.8 ± 2.0 {\AA}, with an intermediate mixing region of 3.0 ± 0.5 {\AA}. Further reduction in the shell thickness with concentration was also observed, coupled with an increased mixing of the core and shell regions and a reduction in miceller hydration, suggesting that concentration has a significant influence on surfactant packing and aggregation within micelles.",
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Structural features of Micelles of Zwitterionic Dodecyl-phosphocholine (C12PC) Surfactants studied by small-angle neutron scattering. / Pambou, Elias; Crewe, John; Yaseen, Mohammed; Padia, Faheem N.; Rogers, Sarah; Wang, Dong; Xu, Hai; Lu, Jian R.

In: Langmuir, Vol. 31, No. 36, 2015, p. 9781-9789.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Structural features of Micelles of Zwitterionic Dodecyl-phosphocholine (C12PC) Surfactants studied by small-angle neutron scattering

AU - Pambou, Elias

AU - Crewe, John

AU - Yaseen, Mohammed

AU - Padia, Faheem N.

AU - Rogers, Sarah

AU - Wang, Dong

AU - Xu, Hai

AU - Lu, Jian R.

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AB - Small-angle neutron scattering (SANS) was used to investigate the size and shape of zwitterionic dodecyl phosphocholine (C12PC) micelles formed at various concentrations above its critical micelle concentration (CMC = 0.91 mM). The predominant spherical shape of micelles is revealed by SANS while the average micellar size was found to be broadly consistent with the hydrodynamic diameters determined by dynamic light scattering (DLS). Cryogenic tunneling electron microscopy (cryo-TEM) shows a uniform distribution of structures, proposing micelle monodispersity (Supporting Information). H/D substitution was utilized to selectively label the chain, head, or entire surfactant so that structural distributions within the micellar assembly could be investigated using fully protonated, head-deuterated, and tail-deuterated PC surfactants in D2O and fully deuterated surfactants in H2O. Using the analysis software we have developed, the four C12PC contrasts at a given concentration were simultaneously analyzed using various core–shell models consisting of a hydrophobic core and a shell representing hydrated polar headgroups. Results show that at 10 mM, C12PC micelles can be well represented by a spherical core–shell model with a core radius and shell thicknesses of 16.9 ± 0.5 and 10.2 ± 2.0 Å (total radius 27.1 ± 2.0 Å), respectively, with a surfactant aggregation number of 57 ± 5. As the concentration was increased, the SANS data revealed an increase in core–shell mixing, characterized by the emergence of an intermediate mixing region at the spherical core–shell interface. C12PC micelles at 100 mM were found to have a core radius and shell thicknesses of 19.6 ± 0.5 and 7.8 ± 2.0 Å, with an intermediate mixing region of 3.0 ± 0.5 Å. Further reduction in the shell thickness with concentration was also observed, coupled with an increased mixing of the core and shell regions and a reduction in miceller hydration, suggesting that concentration has a significant influence on surfactant packing and aggregation within micelles.

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