Polyelectrolyte-nanoparticle mutual charge regulation and its influence on their complexation

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11310%2F21%3A10442274" target="_blank" >RIV/00216208:11310/21:10442274 - isvavai.cz</a>

Výsledek na webu

<a href="https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=g7sv8MOunq" target="_blank" >https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=g7sv8MOunq</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.colsurfa.2021.127258" target="_blank" >10.1016/j.colsurfa.2021.127258</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Polyelectrolyte-nanoparticle mutual charge regulation and its influence on their complexation

Popis výsledku v původním jazyce

The complexation between a charged nanoparticle and an oppositely charged linear polyelectrolyte is studied using coarse-grained Semi-Grand Canonical Monte Carlo simulations. This is done for systems where one or both of the macromolecules are titratable, i.e. they have a pH-dependent charge. The presence of charge fluctuation is found to have a significant impact on the ionization of both macromolecules, the conformational properties of the adsorbed polyelectrolyte and the charge of the resulting complex. When both macromolecules are titratable, we find that the impact is larger when the absolute difference in the pKa values of the nanoparticle and polyelectrolyte increases. The physicochemical concepts here discussed are found to be in good agreement with previous experimental observations, providing a fundamental basis to rationalize these experiments.

Název v anglickém jazyce

Polyelectrolyte-nanoparticle mutual charge regulation and its influence on their complexation

Popis výsledku anglicky

The complexation between a charged nanoparticle and an oppositely charged linear polyelectrolyte is studied using coarse-grained Semi-Grand Canonical Monte Carlo simulations. This is done for systems where one or both of the macromolecules are titratable, i.e. they have a pH-dependent charge. The presence of charge fluctuation is found to have a significant impact on the ionization of both macromolecules, the conformational properties of the adsorbed polyelectrolyte and the charge of the resulting complex. When both macromolecules are titratable, we find that the impact is larger when the absolute difference in the pKa values of the nanoparticle and polyelectrolyte increases. The physicochemical concepts here discussed are found to be in good agreement with previous experimental observations, providing a fundamental basis to rationalize these experiments.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10403 - Physical chemistry

Projekt

<a href="/cs/project/GA19-10429S" target="_blank" >GA19-10429S: Řízení enkapsulace a uvolňování změnou ionizace a multivalentními interakcemi se supramolekulárními polymerními nosiči.</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2021

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Colloids and Surfaces A: Physicochemical and Engineering Aspects

ISSN

0927-7757

e-ISSN

—

Svazek periodika

628

Číslo periodika v rámci svazku

November

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

14

Strana od-do

127258

Kód UT WoS článku

000702801600002

EID výsledku v databázi Scopus

2-s2.0-85112019191