Simulations and Potentiometric Titrations Enable Reliable Determination of Effective pKa Values of Various Polyzwitterions

R Lunkad, P Biehl, A Murmiliuk, PM Blanco… - …, 2022 - ACS Publications
We synthesized three different polyzwitterions─ poly (N, N-diallyl glutamate)(PDAGA), poly
(dehydroalanine)(PDha), and poly (2-(imidazol-1-yl) acrylic acid)(PImAA)─ and investigated …

Unexpected Two-Stage Swelling of Weak Polyelectrolyte Brushes with Divalent Counterions

D Beyer, C Holm - ACS Macro Letters, 2024 - ACS Publications
We use particle-based, coarse-grained simulations to study the influence of divalent
counterions on a weak polyelectrolyte brush. Our simulations show a profound influence of …

Programmable soft-matter electronics

AS Ivanov, KG Nikolaev, AS Novikov… - The Journal of …, 2021 - ACS Publications
The hydrogels of the polyelectrolytes polyethylenimine and poly (acrylic acid) are used to
form a thin-layer interface on the gallium–indium eutectic alloy's surface. The proposed …

Electrostatically cross-linked reversible gels—effects of pH and ionic strength

R Staňo, P Košovan, A Tagliabue, C Holm - Macromolecules, 2021 - ACS Publications
Mixing of oppositely charged macromolecules can, under certain conditions, lead to the
formation of electrostatically cross-linked coacervate gels. In this simulation study, we …

Drug delivery with a pH-sensitive star-like dextran-graft polyacrylamide copolymer

A Grebinyk, S Prylutska, S Grebinyk… - Nanoscale …, 2022 - pubs.rsc.org
The development of precision cancer medicine relies on novel formulation strategies for
targeted drug delivery to increase the therapeutic outcome. Biocompatible polymer …

Tuning Knotted Copolyelectrolyte Conformations via Solution Properties

A Tagliabue, C Micheletti, M Mella - Macromolecules, 2022 - ACS Publications
We used Langevin dynamics simulations to study coarse-grained knotted copolyelectrolytes,
composed by a neutral and a charged segment, in solutions of different salt concentrations …

Salt counterion valency controls the ionization and morphology of weak polyelectrolyte miktoarm stars

L Nová, F Uhlík - Macromolecules, 2022 - ACS Publications
The properties of weak polyelectrolyte polymer blocks vary as a function of the ionic strength
and salt counterion valency. However, the specific conformational and ionization behaviors …

How Charge Regulation Affects pH-Responsive Ampholyte Uptake in Weak Polyelectrolyte Brushes

K Radhakrishnan, D Beyer, C Holm - Macromolecules, 2024 - ACS Publications
Weak polyelectrolyte brushes are a promising platform for the selective capture and release
of charged proteins from bulk solutions. Despite their potential for creating smart responsive …

[HTML][HTML] Extraction, characterization and concentration regimes of the natural gum from Triumfetta cordifolia stem bark

MN Fanwa, AMY Cheumani, B Gügi, N Hucher… - Food …, 2024 - Elsevier
Gum extracted from the Triumfetta. cordifolia plant is traditionally used for its impressive and
versatile properties, but many of its intrinsic characteristics still remain poorly documented …

Monte Carlo simulations of weak polyampholyte microgels: pH-dependence of conformation and ionization

C Hofzumahaus, C Strauch, S Schneider - Soft Matter, 2021 - pubs.rsc.org
We performed Metropolis Monte Carlo simulations to investigate the impact of varying acid
and base dissociation constants on the pH-dependent ionization and conformation of weak …