Cylindrical brushes with ionized side chains: Scaling theory revisited

Zhulina, Ekaterina B.; Borisov, Oleg V.

doi:10.1039/d3sm00727h

Cited by 2 publications

(2 citation statements)

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“…In theoretical modeling, the goal is to get an idea of the structure of the PE brushes by obtaining some macroscopic quantity such as the brush height and monomer distribution. There are notably two approaches for such theoretical modeling: scaling calculations 23,[51][52][53][54][55][56][57][58][59] and field theory-based calculations [i.e., the calculations based on the strong stretching theory (SST) or the self consistent field theory (SCFT)]. [60][61][62][63][64][65][66] In both the approaches, the free energy of the overall brush system is first expressed in terms of the various parameters such as the Kuhn length, the number of monomers per chain, grafting density, and most importantly the quantity that will carry structural information of the PE brush system (namely, the brush height for the scaling calculations and the monomer density distribution for the SCFT approach).…”

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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All-atom molecular dynamics simulations of polymer and polyelectrolyte brushes

Ishraaq,

Das

2024

Chem. Commun.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

All-atom molecular dynamics simulations of polymer and polyelectrolyte brushes

Ishraaq,

Das

2024

Chem. Commun.

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From isolated polyelectrolytes to star-like assemblies: the role of sequence heterogeneity on the statistical structure of the intrinsically disordered neurofilament-low tail domain

Kravikass,

Koren,

Saleh

et al. 2024

Eur. Phys. J. E

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Intrinsically disordered proteins (IDPs) are a subset of proteins that lack stable secondary structure. Given their polymeric nature, previous mean-field approximations have been used to describe the statistical structure of IDPs. However, the amino-acid sequence heterogeneity and complex intermolecular interaction network have significantly impeded the ability to get proper approximations. One such case is the intrinsically disordered tail domain of neurofilament low (NFLt), which comprises a 50 residue-long uncharged domain followed by a 96 residue-long negatively charged domain. Here, we measure two NFLt variants to identify the impact of the NFLt two main subdomains on its complex interactions and statistical structure. Using synchrotron small-angle x-ray scattering, we find that the uncharged domain of the NFLt induces attractive interactions that cause it to self-assemble into star-like polymer brushes. On the other hand, when the uncharged domain is truncated, the remaining charged N-terminal domains remain isolated in solution with typical polyelectrolyte characteristics. We further discuss how competing long- and short-ranged interactions within the polymer brushes dominate their ensemble structure and, in turn, their implications on previously observed phenomena in NFL native and diseased states. Graphic abstract Visual schematic of the SAXS measurement results of the Neurofilament-low tail domain IDP (NFLt). NFLts assemble into star-like brushes through their hydrophobic N-terminal domains (marked in blue). In increasing salinity, brush height (h) is initially increased following a decrease while gaining additional tails to their assembly. Isolating the charged sub-domain of the NFLt (marked in red) results in isolated polyelectrolytes

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Cylindrical brushes with ionized side chains: Scaling theory revisited

Abstract: We revisit the classic scaling model of a cylindrical polyelectrolyte (PE) brush focusing on molecular brushes with stiff backbones and dispersions of polymer-decorated nanorods.

Cited by 2 publications

References 57 publications

All-atom molecular dynamics simulations of polymer and polyelectrolyte brushes

All-atom molecular dynamics simulations of polymer and polyelectrolyte brushes

From isolated polyelectrolytes to star-like assemblies: the role of sequence heterogeneity on the statistical structure of the intrinsically disordered neurofilament-low tail domain

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