Polymer-brush lubrication: a review of recent theoretical advances

T Kreer - Soft Matter, 2016 - pubs.rsc.org
This review compiles recent theoretical advances to describe compressive and shear forces
of polymer-brush bilayers, which consist of two opposing brushes in contact. Such model …

Adhesion dynamics of functionalized nanocarriers to endothelial cells: a dissipative particle dynamics study

S Akbarishandiz, S Khani, J Maia - Soft Matter, 2023 - pubs.rsc.org
Targeted drug delivery to endothelial cells utilizing functionalized nanocarriers (NCs) is an
essential procedure in therapeutic and diagnosis therapies. Using dissipative particle …

Polydisperse polymer brushes: Internal structure, critical behavior, and interaction with flow

S Qi, LI Klushin, AM Skvortsov, F Schmid - Macromolecules, 2016 - ACS Publications
We study the effect of polydispersity on the structure of polymer brushes by analytical theory,
a numerical self-consistent field approach, and Monte Carlo simulations. The polydispersity …

Sharp and fast: Sensors and switches based on polymer brushes with adsorption-active minority chains

LI Klushin, AM Skvortsov, AA Polotsky, S Qi… - Physical Review Letters, 2014 - APS
We propose a design for polymer-based sensors and switches with sharp switching
transition and fast response time. The switching mechanism involves a radical change in the …

Poly(N-isopropylacrylamide)-Based Mixed Brushes: A Computer Simulation Study

F Leonforte, M Müller - ACS applied materials & interfaces, 2015 - ACS Publications
Temperature-sensitive poly (N-isopropylacrylamide)(PNIPAM) polymer brushes of fixed
molecular weight and grafting density are modeled in the framework of a coarse-grained …

Machine learning of performance space mapping for the DPD simulation of drug delivery to endothelial cells

S Akbarishandiz, S Ray, F Zhou, X Chen… - Molecular …, 2024 - Taylor & Francis
Despite huge effort over the years, the design of functionalised nanocarriers (NCs) for
targeted drug delivery to endothelial cells is still to be completely unveiled. Dissipative …

Stimuli-responsive brushes with active minority components: Monte Carlo study and analytical theory

S Qi, LI Klushin, AM Skvortsov, AA Polotsky… - …, 2015 - ACS Publications
Using a combination of analytical theory, Monte Carlo simulations, and three-dimensional
self-consistent field calculations, we study the equilibrium properties and the switching …

Height-Switching in a Mixed Polymer Brush Induced by the Collapse Transition of Attractive Polymer Chains

HK Qi, X Yang, QH Yang, C Wang, MB Luo - Macromolecules, 2023 - ACS Publications
The collapse transition of attractive polymer chains in a mixed polymer brush is studied
using Langevin dynamics simulations. The mixed polymer brush of grafting density f consists …

Size effect of the end-attached particle on the adsorption-responsive polymer switches

Z Lian, S Qi - Macromolecules, 2022 - ACS Publications
Using analytical theory and self-consistent field calculations, we study the conformation
behaviors and switching properties of an adsorption-active polymer chain with its free end …

Adhesion of nanoparticles to polymer brushes studied with the ghost tweezers method

J Cheng, A Vishnyakov, AV Neimark - The Journal of Chemical …, 2015 - pubs.aip.org
Mechanisms of interactions between nanoparticles (NPs) and polymer brushes (PBs) are
explored using dissipative particle dynamics simulations and an original “ghost tweezers” …