The conformational phase diagram of charged polymers in the presence of attractive bridging crowders
Using extensive molecular dynamics simulations, we obtain the conformational phase diagram of a charged polymer in the presence of oppositely charged counterions and neutral attractive crowders for monovalent, divalent and trivalent counterion valencies. We demonstrate that the charged polymer can e...
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Main Authors | , , , |
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Format | Journal Article |
Language | English |
Published |
18.08.2023
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Subjects | |
Online Access | Get full text |
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Summary: | Using extensive molecular dynamics simulations, we obtain the conformational
phase diagram of a charged polymer in the presence of oppositely charged
counterions and neutral attractive crowders for monovalent, divalent and
trivalent counterion valencies. We demonstrate that the charged polymer can
exist in three phases: (1) an extended phase for low charge densities and weak
polymer-crowder attractive interactions ($CE$), (2) a collapsed phase for high
charge densities and weak polymer-crowder attractive interactions, primarily
driven by counterion condensation ($CCI$), and (3) a collapsed phase for strong
polymer-crowder attractive interactions, irrespective of the charge density,
driven by crowders acting as bridges or crosslinks ($CCB$). Importantly, the
simulations reveal that the interaction with crowders can induce collapse,
despite the presence of strong repulsive electrostatic interactions, and can
replace condensed counterions to facilitate a direct transition from the $CCI$
and $CE$ phases to the $CCB$ phase. |
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DOI: | 10.48550/arxiv.2308.09328 |