Concentration dependent effects of urea binding to poly (N-isopropylacrylamide) brushes: a combined experimental and numerical study

S Micciulla, J Michalowsky, MA Schroer… - Physical Chemistry …, 2016 - pubs.rsc.org
The binding effects of osmolytes on the conformational behavior of grafted polymers are
studied in this work. In particular, we focus on the interactions between urea and poly (N …

Coarse-grained simulations of polyelectrolyte complexes: MARTINI models for poly (styrene sulfonate) and poly (diallyldimethylammonium)

M Vögele, C Holm, J Smiatek - The Journal of chemical physics, 2015 - pubs.aip.org
We present simulations of aqueous polyelectrolyte complexes with new MARTINI models for
the charged polymers poly (styrene sulfonate) and poly (diallyldimethylammonium). Our …

Amphiphilic Polymer Conetwork Gel Films Based on Tetra-Poly (ethylene Glycol) and Tetra-Poly (ε-Caprolactone)

K Hagmann, C Bunk, F Böhme, R von Klitzing - Polymers, 2022 - mdpi.com
The preparation and investigation of gel films from a model amphiphilic polymer conetwork
(ACN) grant a deeper control and understanding of the structure–property relationship in the …

Atomistic simulation of PDADMAC/PSS oligoelectrolyte multilayers: overall comparison of tri-and tetra-layer systems

PA Sánchez, M Vögele, J Smiatek, B Qiao, M Sega… - Soft matter, 2019 - pubs.rsc.org
By employing large-scale molecular dynamics simulations of atomistically resolved
oligoelectrolytes in aqueous solutions, we study in detail the first four layer-by-layer …

PDADMAC/PSS oligoelectrolyte multilayers: Internal structure and hydration properties at early growth stages from atomistic simulations

PA Sánchez, M Vögele, J Smiatek, B Qiao, M Sega… - Molecules, 2020 - mdpi.com
We analyze the internal structure and hydration properties of poly (diallyl dimethyl
ammonium chloride)/poly (styrene sulfonate sodium salt) oligoelectrolyte multilayers at early …

From the atomistic to the macromolecular scale: Distinct simulation approaches for polyelectrolyte solutions

J Smiatek, C Holm - Handbook of Materials Modeling: Methods: Theory …, 2020 - Springer
Polyelectrolytes reveal interesting properties in solution. At short length scales, the
dissociation of counterions is heavily affected by the chemical structure of the …

Robust nanocoatings based on ionic silicones

A Puciul-Malinowska, S Zapotoczny - Nanoscale, 2018 - pubs.rsc.org
Two oppositely charged water-soluble oligosiloxanes with the same main chain were
synthesized and used for the formation of multilayer nanocoatings. In spite of low molecular …

[HTML][HTML] The influence of solid scaffolds on flat and curved lipid membranes

DH De Jong, A Heuer - AIP Advances, 2017 - pubs.aip.org
Solid-supported membranes have become a common tool to study lipid membrane
properties in a controlled environment. One particular example is the study of membrane …

Effect of anionic surfactant on alginate‐chitosan polyelectrolyte multilayer thickness

H Kaygusuz, S Micciulla, FB Erim… - Journal of Polymer …, 2017 - Wiley Online Library
Alginate and chitosan are among the most common biopolyelectrolytes. Surfactants can be
included in alginate and chitosan formulations in order to improve their physical and …

Atomistic simulation of oligoelectrolyte multilayers growth

PA Sánchez, J Smiatek, B Qiao, M Sega… - … Computing in Science …, 2016 - Springer
We simulate at the atomistic scale the layer-by-layer growth of a four layers thin film of poly
(diallyl dimethyl ammonium chloride)/poly (styrene sulfonate sodium salt) oligomers …