Intramolecular micellization and nanopatterning in pH- and thermo-responsive molecular brushes

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11310%2F20%3A10403495" target="_blank" >RIV/00216208:11310/20:10403495 - isvavai.cz</a>

Výsledek na webu

<a href="https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=ZEB5XYhLvh" target="_blank" >https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=ZEB5XYhLvh</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1039/c9sm01961h" target="_blank" >10.1039/c9sm01961h</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Intramolecular micellization and nanopatterning in pH- and thermo-responsive molecular brushes

Popis výsledku v původním jazyce

Conformational transitions and nanoscale self-organization triggered in double pH- and thermo-responsive molecular brushes by varying environmental conditions are studied by means of analytical mean-field theory and numerical Scheutjens-Fleer self-consistent field modelling. Such molecular brushes are composed of multiple thermo-responsive side chains end-grafted onto the main chain (backbone) and are capable of acquiring ionic charges via reversible (de)protonation of the monomer units. Competition of long-range Coulomb repulsion with short-range solvophobic interactions leads to complex patterns in the intramolecular self-organization of molecular brushes. In particular, we observed formation of pearl necklace-like structures with multiple dense nanodomains formed by weakly ionized collapsed side chains and stabilized by a fraction protruding into the solution and strongly ionized ones. Such structures are thermodynamically stable in a certain parameter range and can be termed as intramolecular micelles. The stimuli-induced intramolecular nanopatterning occurs via a sequence of quasi-first order phase transitions corresponding to splitting/fusion of collapsed domains accompanied by jumps in the average degree of ionization and macromolecular dimensions. A re-entrant sequence of transitions is observed when the salt concentration is used as a control parameter. These theoretical predictions provide guidelines for design of smart unimolecular devices, for example multicompartment nanocarriers of active substances or nanosensors.

Název v anglickém jazyce

Intramolecular micellization and nanopatterning in pH- and thermo-responsive molecular brushes

Popis výsledku anglicky

Conformational transitions and nanoscale self-organization triggered in double pH- and thermo-responsive molecular brushes by varying environmental conditions are studied by means of analytical mean-field theory and numerical Scheutjens-Fleer self-consistent field modelling. Such molecular brushes are composed of multiple thermo-responsive side chains end-grafted onto the main chain (backbone) and are capable of acquiring ionic charges via reversible (de)protonation of the monomer units. Competition of long-range Coulomb repulsion with short-range solvophobic interactions leads to complex patterns in the intramolecular self-organization of molecular brushes. In particular, we observed formation of pearl necklace-like structures with multiple dense nanodomains formed by weakly ionized collapsed side chains and stabilized by a fraction protruding into the solution and strongly ionized ones. Such structures are thermodynamically stable in a certain parameter range and can be termed as intramolecular micelles. The stimuli-induced intramolecular nanopatterning occurs via a sequence of quasi-first order phase transitions corresponding to splitting/fusion of collapsed domains accompanied by jumps in the average degree of ionization and macromolecular dimensions. A re-entrant sequence of transitions is observed when the salt concentration is used as a control parameter. These theoretical predictions provide guidelines for design of smart unimolecular devices, for example multicompartment nanocarriers of active substances or nanosensors.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10404 - Polymer science

Projekt

—

Návaznosti

S - Specificky vyzkum na vysokych skolach<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2020

Kód důvěrnosti údajů

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

Název periodika

Soft Matter

ISSN

1744-683X

e-ISSN

—

Svazek periodika

16

Číslo periodika v rámci svazku

1

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

11

Strana od-do

208-218

Kód UT WoS článku

000503491000018

EID výsledku v databázi Scopus

2-s2.0-85076876647