2023
DOI: 10.3390/polym15122680
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Unusual Aspects of Charge Regulation in Flexible Weak Polyelectrolytes

Abstract: This article reviews the state of the art of the studies on charge regulation (CR) effects in flexible weak polyelectrolytes (FWPE). The characteristic of FWPE is the strong coupling of ionization and conformational degrees of freedom. After introducing the necessary fundamental concepts, some unconventional aspects of the the physical chemistry of FWPE are discussed. These aspects are: (i) the extension of statistical mechanics techniques to include ionization equilibria and, in particular, the use of the rec… Show more

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Cited by 5 publications
(21 citation statements)
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“…In the ideal case, i.e., not accounting for intermolecular interactions, the Henderson-Hasselbalch equation [3,4], Equation (2), describes the ionization of a weak acid, which relates the 𝑝𝐻 and the acidity constant of a weak acid, 𝐾 , 𝑝𝐾 = −𝑙𝑜𝑔𝐾 , with its degree of ionization, 𝛼 𝑝𝐻 = 𝑝𝐾 + 𝑙𝑜𝑔 𝛼 1 − 𝛼 ; 𝛼 = 𝑛 𝑛 + 𝑛 (2) where 𝑛 accounts for the number of a determined acid-base functional group (ionized or unionized) and the sum in the denominator is the total number of protonable groups in the solution [3,4,[21][22][23]. Nevertheless, being considered polyacids, HAs possess a high number of ionizable groups.…”
Section: 𝐻𝐴 ⇌ 𝐴mentioning
confidence: 99%
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“…In the ideal case, i.e., not accounting for intermolecular interactions, the Henderson-Hasselbalch equation [3,4], Equation (2), describes the ionization of a weak acid, which relates the 𝑝𝐻 and the acidity constant of a weak acid, 𝐾 , 𝑝𝐾 = −𝑙𝑜𝑔𝐾 , with its degree of ionization, 𝛼 𝑝𝐻 = 𝑝𝐾 + 𝑙𝑜𝑔 𝛼 1 − 𝛼 ; 𝛼 = 𝑛 𝑛 + 𝑛 (2) where 𝑛 accounts for the number of a determined acid-base functional group (ionized or unionized) and the sum in the denominator is the total number of protonable groups in the solution [3,4,[21][22][23]. Nevertheless, being considered polyacids, HAs possess a high number of ionizable groups.…”
Section: 𝐻𝐴 ⇌ 𝐴mentioning
confidence: 99%
“…Charged biopolymers are polyelectrolytes whose repeating units bear ionizable functional groups [1][2][3][4]. These ionizable groups dissolve in the presence of polar solvents such as water, producing an electrical charge on the chain and the release of counterions into the solution [2,3].…”
Section: Introductionmentioning
confidence: 99%
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“…The charge regulation in polyelectrolytes composed of identical monomers (polyacids or polybases) decreases their net charge in order to decrease the electrostatic repulsion among like-charged groups. Consequently, charge regulation shifts the effective p K A of polyacids to higher values and the effective p K A of polybases to lower values than those of the corresponding monomers. , Charge regulation in peptides, proteins or synthetic polyampholytes, which contain both acidic and basic groups, may shift the effective p K A of these groups in either direction, depending on what kind of charges prevail and how they are distributed in space. …”
Section: Introductionmentioning
confidence: 99%