Main-Chain Scission of Linear Polymers as Studied by Pulse Radiolysis and Flash Photolysis

Schnabel, W.

doi:10.1007/978-94-009-1924-2_3

Cited by 1 publication

(2 citation statements)

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“…Strong interactions cause slowing down of the motions and rearrangements in the system. For example, lifetimes of ion bridges in proteins [ 58 ] and between charged groups in polyelectrolytes [ 59 ] could reach 1 s, which is about six orders of magnitude longer than current typical MD simulations and three orders of magnitude longer than the current longest MD simulation performed on a special-purpose computer [ 60 ]. This leads to the problem of correct sampling in classical MD [ 45 ].…”

Section: Introductionmentioning

confidence: 99%

“…Strong interactions cause slowing down of the motions and rearrangements in the system. For example, lifetimes of ion bridges in proteins [58] and between charged groups in polyelectrolytes [59] could reach 1 s, which The influence of salt on a polyelectrolyte chain can be described through the screening of electrostatic interactions [30,31], the formation of ion bridges between charged groups [28,32,33], and in some cases even charge inversion can occur [34,35]. In the case of the α-forms of PGA and PASA, the carboxyl groups-the terminal groups of the side chains-carry charges (Figure 1).…”

Section: Introductionmentioning

confidence: 99%

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Influence of Calcium Binding on Conformations and Motions of Anionic Polyamino Acids. Effect of Side Chain Length

et al. 2020

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Investigation of the effect of CaCl2 salt on conformations of two anionic poly(amino acids) with different side chain lengths, poly-(α-l glutamic acid) (PGA) and poly-(α-l aspartic acid) (PASA), was performed by atomistic molecular dynamics (MD) simulations. The simulations were performed using both unbiased MD and the Hamiltonian replica exchange (HRE) method. The results show that at low CaCl2 concentration adsorption of Ca2+ ions lead to a significant chain size reduction for both PGA and PASA. With the increase in concentration, the chains sizes partially recover due to electrostatic repulsion between the adsorbed Ca2+ ions. Here, the side chain length becomes important. Due to the longer side chain and its ability to distance the charged groups with adsorbed ions from both each other and the backbone, PGA remains longer in the collapsed state as the CaCl2 concentration is increased. The analysis of the distribution of the mineral ions suggests that both poly(amino acids) should induce the formation of mineral with the same structure of the crystal cell.

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Section: Introductionmentioning

confidence: 99%

“…Strong interactions cause slowing down of the motions and rearrangements in the system. For example, lifetimes of ion bridges in proteins [58] and between charged groups in polyelectrolytes [59] could reach 1 s, which The influence of salt on a polyelectrolyte chain can be described through the screening of electrostatic interactions [30,31], the formation of ion bridges between charged groups [28,32,33], and in some cases even charge inversion can occur [34,35]. In the case of the α-forms of PGA and PASA, the carboxyl groups-the terminal groups of the side chains-carry charges (Figure 1).…”

Section: Introductionmentioning

confidence: 99%