Conformations of comb-like macromolecules

Birshtein, T.M.; Borisov, Oleg V.; Zhulina, Ye.B.; Khokhlov, Alexei R.; Yurasova, T. A.

doi:10.1016/0032-3950(87)90374-1

Cited by 216 publications

(415 citation statements)

References 13 publications

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“…The same exponent follows from the log-log plot presented as an inset in the same figure. This value of the exponent is still smaller than the 0.72 derived by Birshtein and co-workers 19 and the 0.75 given by Fredrickson,22 however, it is at the same time much larger than the 3D SAW value of 0.588. So, although we are obviously far away from the real scaling regime, it is quite obvious that the excluded volume effect is operational for our structures.…”

Section: A Persistence Length and Bottle-brush Diametercontrasting

confidence: 52%

“…19,29 Therefore, we conclude that the above analysis indeed addresses the intermediate coverage limit. As far as the possibility of lyotropic behavior is concerned, the authors 19 speculate that the persistence length of the bottle-brush structure will be of the same order of magnitude as its diameter and hence, that lyotropic behavior due to excluded volume effects alone should not be expected. Here, their opinion obviously differs with that of Fredrickson, who on the basis of an analysis of a fully stretched structure came to the exact opposite conclusion.…”

Section: Theoretical Approachmentioning

confidence: 99%

“…12 The influence of particularly those solvents, which can be classified as good solvents for the side chains, is of interest because recent theoretical predictions contradict each other concerning the induced extension to the bottle-brushes. In a decade old publication Birshtein and co-workers 19 argued that comblike copolymers in dilute solution under good solvent conditions show considerable stretching of the polymer backbone and the side chains due to the excluded volume effect. They concluded that the repulsion increases the extension of the structures leading to a persistence length in size comparable to the dimensions of the side chains.…”

Section: Introductionmentioning

confidence: 99%

“…Birshtein et al 19 took a somewhat different approach writing the free energy of the bottle-brush as a sum of two terms…”

Section: Theoretical Approachmentioning

confidence: 99%

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On lyotropic behavior of molecular bottle-brushes: A Monte Carlo computer simulation study

Saariaho

Ikkala

Szleifer

et al. 1997

The Journal of Chemical Physics

129

175

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On lyotropic behavior of molecular bottle-brushes Saariaho, M.; Ikkala, O.; Szleifer, I.; Erukhimovich, I.; ten Brinke, G. Take-down policy If you believe that this document breaches copyright please contact us providing details, and we will remove access to the work immediately and investigate your claim.Downloaded from the University of Groningen/UMCG research database (Pure): http://www.rug.nl/research/portal. For technical reasons the number of authors shown on this cover page is limited to 10 maximum. A three dimensional continuous space Monte Carlo computer simulation study is presented to discuss the extension of flexible, linear polymer chains due to the presence of equally flexible side chains. We consider the enhancement of the persistence length of bottle-brush structures in an athermal solution due to steric interactions between the side chains. The largest structure studied consists of a backbone of 100 beads with 50 side chains of 20 beads each. The persistence length is evaluated in two different ways using the radius of gyration of the backbone and the bond angle correlation function, respectively. A correct description of the backbone conformations is shown to require at least two characteristic lengths. At a small length scale the backbone behaves flexible; the extension occurs at a larger length scale. There is a strong indication that the ratio between the persistence length and the diameter, which is the determining factor for lyotropic behavior of conventional semiflexible chains, levels off as a function of the side chain length. The value of this ratio is, moreover, too small to induce lyotropic behavior along this line. Recent experimental observations of lyotropic behavior of polymacromonomers are discussed in terms of these findings.

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Section: A Persistence Length and Bottle-brush Diametercontrasting

confidence: 52%

Section: Theoretical Approachmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

“…Birshtein et al 19 took a somewhat different approach writing the free energy of the bottle-brush as a sum of two terms…”

Section: Theoretical Approachmentioning

confidence: 99%

See 2 more Smart Citations

On lyotropic behavior of molecular bottle-brushes: A Monte Carlo computer simulation study

Saariaho

Ikkala

Szleifer

et al. 1997

The Journal of Chemical Physics

129

175

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“…In a good solvent, the bottlebrush radius is predicted [79][80][81][82][83] it is important to note that side-chain conformations within the 2D plane are highly anisotropic. 82 In a theta solvent, the bottlebrush radius is predicted to scale with N 2/3 or N 3/4 , depending on the model assumptions, 80,84 while the radius of free linear chains scales with N 1/2 (ideal chain). The bottlebrush is even stretched in a poor solvent: the bottlebrush radius is predicted to scale as 84 while the radius of free linear chains scales as N 1/3 .…”

Section: Synthesis Of Bottlebrush Polymersmentioning

confidence: 99%

Structure, function, self-assembly, and applications of bottlebrush copolymers

et al. 2015

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Bottlebrush polymers are a type of branched or graft polymer with polymeric side-chains attached to a linear backbone, and the unusual architecture of bottlebrushes provides a number of unique and potentially useful properties. These include a high entanglement molecular weight, enabling rapid self-assembly of bottlebrush block copolymers into large domain structures, the self-assembly of bottlebrush block copolymer micelles in a selective solvent even at very low dilutions, and the functionalization of bottlebrush side-chains for recognition, imaging, or drug 2 delivery in aqueous environments. This review article focuses on recent developments in the field of bottlebrush polymers with an emphasis on applications of bottlebrush copolymers.Bottlebrush copolymers contain two (or more) different types of polymeric side-chains. Recent work has explored the diverse properties and functions of bottlebrush polymers and copolymers in solutions, films, and melts, and applications explored include photonic materials, bottlebrush films for lithographic patterning, drug delivery, and tumor detection and imaging. We provide a brief introduction to bottlebrush synthesis and physical properties and then discuss work related to: i) bottlebrush self-assembly in melts and bulk thin films, ii) bottlebrushes for photonics and lithography, iii) bottlebrushes for small molecule encapsulation and delivery in solution, and iv) bottlebrush micelles and assemblies in solution. We briefly discuss three potential areas for future research, including developing a more quantitative model of bottlebrush self-assembly in the bulk, studying the properties of bottlebrushes at interfaces, and investigating the solution assembly of bottlebrush copolymers.

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Extended conformations of isolated molecular bottle-brushes: Influence of side-chain topology

Saariaho

Szleifer

Ikkala

et al. 1998

Macromol. Theory Simul.

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A Monte Carlo study is presented to discuss the influence of the side‐chain topology on the enhancement of the persistence length of a molecular bottle‐brush in a dilute athermal solution due to the excluded volume interactions between the side chains. The structures investigated consisted of freely jointed backbones of 100 hard spheres (beads) of diameter 1 to which 50 equally flexible side chains were grafted. The diameter of the side‐chain beads was varied from 1 to 3 in the same units. For every given size of the side‐chain bead, the length of the side chains was varied from 4 to 20 beads. The ratio between the persistence length and the bottle‐brush diameter, which is the determining factor for lyotropic behavior of conventional semi‐flexible chains, was found to be almost independent of the side‐chain length. At the same time, it was found to increase considerably with increasing size of the side‐chain beads, suggesting that by a proper choice of the chemistry lyotropic behavior of molecular bottle‐brushes due to excluded‐volume interactions between the side chains might be achieved. Moreover, relatively short side chains can be used since the side chain length has only a minor influence on the ratio between the persistence length and the diameter. These findings are in a good agreement with recent experimental observations.

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Conformations of comb-like macromolecules

Cited by 216 publications

References 13 publications

On lyotropic behavior of molecular bottle-brushes: A Monte Carlo computer simulation study

On lyotropic behavior of molecular bottle-brushes: A Monte Carlo computer simulation study

Structure, function, self-assembly, and applications of bottlebrush copolymers

Extended conformations of isolated molecular bottle-brushes: Influence of side-chain topology

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