Influence of molecular topology on the static and dynamic properties of single polymer chain in solution

Fu, Cui-Liu; Ouyang, Wenze; Sun, Zhao-Yan; An, Lijia

doi:10.1063/1.2750338

Cited by 17 publications

(16 citation statements)

References 20 publications

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“… 40 ). The relaxation time of the cyclic form of the Charomid DNA calculated in the same way ( τ R ≈80 ms) is shorter than that of its linear counterpart, consistent with the topology-dependent relaxation time obtained in simulation studies 41 42 . These results imply a direct connection between the relaxation time obtained by the CA method and the conformational relaxation of the chains.…”

Section: Resultssupporting

confidence: 85%

Single-molecule diffusion and conformational dynamics by spatial integration of temporal fluctuations

2014

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Single-molecule localization and tracking has been used to translate spatiotemporal information of individual molecules to map their diffusion behaviours. However, accurate analysis of diffusion behaviours and including other parameters, such as the conformation and size of molecules, remain as limitations to the method. Here, we report a method that addresses the limitations of existing single-molecular localization methods. The method is based on temporal tracking of the cumulative area occupied by molecules. These temporal fluctuations are tied to molecular size, rates of diffusion and conformational changes. By analysing fluorescent nanospheres and double-stranded DNA molecules of different lengths and topological forms, we demonstrate that our cumulative-area method surpasses the conventional single-molecule localization method in terms of the accuracy of determined diffusion coefficients. Furthermore, the cumulative-area method provides conformational relaxation times of structurally flexible chains along with diffusion coefficients, which together are relevant to work in a wide spectrum of scientific fields.

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Section: Resultssupporting

confidence: 85%

Single-molecule diffusion and conformational dynamics by spatial integration of temporal fluctuations

2014

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“…These exponents are slightly less than those predicted using Rouse and Zimm theories attributed to the absence of chain ends compared with linear polymers. 51 Here it is worth noting that both Rouse and Zimm theories are accurate for polymer chains with sufficiently long length. The chain length in this work is up to 120, and it should be an asymptotic scaling of the theoretical prediction.…”

Section: A Scaling Behaviors Of Equilibrium Propertiesmentioning

confidence: 99%

Effects of excluded volume and hydrodynamic interaction on the deformation, orientation and motion of ring polymers in shear flow

et al. 2015

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A ring polymer is a classical model to explore the behaviors of biomacromolecules. Compared with its linear counterpart in shear flow, the ring polymer should be more sensitive to excluded volume and hydrodynamic interaction attributed to the absence of chain ends. We carried out multiparticle collision dynamics combined with molecular dynamics simulation to study the effects of excluded volume and hydrodynamic interaction on the behaviors of ring polymers in shear flow. The results show that in the absence of the strong excluded volume interaction, the ring polymer prefers a two-strand linear conformation with high deformation and orientation in the flow-gradient plane, and the tank-treading motion is nearly negligible. Ring polymers without excluded volume show no significant difference from linear polymers in the scaling exponents for the deformation, orientation and tumbling motion. We also observed that the hydrodynamic interaction could efficiently slow down the relaxation of ring polymers while the scaling exponents against the Weissenberg number have rarely been affected.

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“…45−47 In shear flow, such change is contributed from the dynamical relaxation of arms and the structural rearrangements of the whole polymer 48−51 and preliminarily understood as a function of the number (f) and the length (L f ) of arms. 52,53 Hitherto, lots of work focus on the flow-induced properties of semidilute solutions and melts, 54,55 while little attention is paid to the behaviors of an individual star polymer. 46,47,56 These behaviors are directly related to many applications, such as motor oil viscosity modifier, 57 polymer brushes, 58 and drug delivery agents.…”

Section: Introductionmentioning

confidence: 99%

Conformation and Dynamics of Individual Star in Shear Flow and Comparison with Linear and Ring Polymers

Chen¹,

Zhang

Liu³

et al. 2017

Macromolecules

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How polymers with different architectures respond to shear stress is a key issue to develop a fundamental understanding of their dynamical behaviors. We investigate the conformation, orientation, dynamics, and rheology of individual star polymers in a simple shear flow by multiparticle collision dynamics integrated with molecular dynamics simulations. Our studies reveal that star polymers present a linear transformation from tumbling to tank-treading-like motions as the number of arms increases. In the transformation region, the flow-induced deformation, orientation, frequency of motions, and rheological properties show universal scaling relationships against the reduced Weissenberg number, independent of the number and the length of arms. Further, we make a comprehensive comparison on the flow-induced behaviors between linear, ring, and star polymers. The results indicate that distinct from linear polymers, star and ring polymers present weaker deformation, orientation change, and shear thinning, either contributed by a dense center or without ends.

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Influence of molecular topology on the static and dynamic properties of single polymer chain in solution

Cited by 17 publications

References 20 publications

Single-molecule diffusion and conformational dynamics by spatial integration of temporal fluctuations

Single-molecule diffusion and conformational dynamics by spatial integration of temporal fluctuations

Effects of excluded volume and hydrodynamic interaction on the deformation, orientation and motion of ring polymers in shear flow

Conformation and Dynamics of Individual Star in Shear Flow and Comparison with Linear and Ring Polymers

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