Choice of the functional monomer of molecularly imprinted polymers: Does it rely on strong acid-base or hydrogen bonding interactions?

Boukadida, Merymene; Anene, Amira; Jaoued-Grayaa, Najeh; Chevalier, Yves; Hbaïeb, Souhaïra

doi:10.1016/j.colcom.2022.100669

Cited by 16 publications

(5 citation statements)

References 29 publications

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“…The extrapolation of our results from short peptides and charged oligomers also to complex molecules, such as proteins containing lysine-rich or carboxylate-rich sequences, is in principle possible. Nevertheless, it is known that in such complex environments hydrogen bonding − and other interactions can become as important as electrostatics. For such systems, quantitative simulations with predictive power would require refinement of our models by including the hydrogen bonds, as is currently underway.…”

Section: Discussionmentioning

confidence: 99%

Charge Regulation Triggers Condensation of Short Oligopeptides to Polyelectrolytes

Pineda,

Staňo,

Murmiliuk

et al. 2024

JACS Au

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Electrostatic interactions between charged macromolecules are ubiquitous in biological systems, and they are important also in materials design. Attraction between oppositely charged molecules is often interpreted as if the molecules had a fixed charge, which is not affected by their interaction. Less commonly, charge regulation is invoked to interpret such interactions, i.e., a change of the charge state in response to a change of the local environment. Although some theoretical and simulation studies suggest that charge regulation plays an important role in intermolecular interactions, experimental evidence supporting such a view is very scarce. In the current study, we used a model system, composed of a long polyanion interacting with cationic oligolysines, containing up to 8 lysine residues. We showed using both simulations and experiments that while these lysines are only weakly charged in the absence of the polyanion, they charge up and condense on the polycations if the pH is close to the pK a of the lysine side chains. We show that the lysines coexist in two distinct populations within the same solution: (1) practically nonionized and free in solution; (2) highly ionized and condensed on the polyanion. Using this model system, we demonstrate under what conditions charge regulation plays a significant role in the interactions of oppositely charged macromolecules and generalize our findings beyond the specific system used here.

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Section: Discussionmentioning

confidence: 99%

Charge Regulation Triggers Condensation of Short Oligopeptides to Polyelectrolytes

Pineda,

Staňo,

Murmiliuk

et al. 2024

JACS Au

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show abstract

“…73 The extrapolation of our results from short peptides and charged oligomers also to complex molecules such as proteins containing lysine-rich or carboxylate-rich sequences is in principle possible. Nevertheless, it is known that in such complex environments hydrogen bonding [74][75][76] and other interactions can become as important as electrostatics. For such systems, quantitative simulations with predictive power would require refinement of our models, by including the hydrogen bonds, as is currently underway.…”

Section: Discussionmentioning

confidence: 99%

Charge regulation triggers condensation of short oligopeptides to polyelectrolytes

Pineda,

Staňo,

Murmiliuk

et al. 2023

Preprint

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Electrostatic interactions between charged macromolecules are ubiquitous in bio- logical systems and they are important also in materials design. Attraction between oppositely charged molecules is often interpreted as if the molecules had a fixed charge, which is not affected by their interaction. Less commonly, charge regulation is invoked to interpret such interactions, i.e., a change of the charge state in response to a change of the local environment. Although some theoretical and simulation studies suggest that charge regulation plays an important role in intermolecular interations, experi- mental evidence supporting such view is very scarce. In the current study, we used a model system, composed of a long polyanion interacting with cationic oligolysines, containing up to 8 lysine residues. We showed using both simulations and experiments that while these lysines are only weakly charged in the absence of the polyanion, they charge up and condense on the polycations if the pH is close to the pKa of the lysine side chains. We show that the lysines coexist in two distinct populations within the same solution: 1. practically non-ionized and free in solution; 2. highly ionized and condensed on the polyanion. Using this model system, we demonstrate under what conditions charge regulation plays a significant role in the interactions of oppositely charged macromolecules and generalize our findings beyond the specific system used here.

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“…Acrylamide has been identified as a suitable functional monomer for the manufacture of MIPs because of its ability to bind many types of molecules by means of hydrogen bonds [19]. Acrylamide binds histamine (HA) as a model basic compound [20]. The acrylamide monomer and polyacrylamide show strong hydrogen bonding interactions with HA.…”

Section: Introductionmentioning

confidence: 99%

Effect of cross-linking agents on the adsorption of histamine on molecularly imprinted polyacrylamide

Boukadida

Jaoued-Grayaa²,

Anene³

et al. 2023

Polymer

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Choice of the functional monomer of molecularly imprinted polymers: Does it rely on strong acid-base or hydrogen bonding interactions?

Cited by 16 publications

References 29 publications

Charge Regulation Triggers Condensation of Short Oligopeptides to Polyelectrolytes

Charge Regulation Triggers Condensation of Short Oligopeptides to Polyelectrolytes

Charge regulation triggers condensation of short oligopeptides to polyelectrolytes

Effect of cross-linking agents on the adsorption of histamine on molecularly imprinted polyacrylamide

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