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

Simulation of weak polyelectrolytes: a comparison between the constant pH and the reaction ensemble method

(2017) Jonas Landsgesell et al.   European Physical Journal-Special Topics

Monte Carlo Simulations of Complexation between Weak Polyelectrolytes and a Charged Nanoparticle. Influence of Polyelectrolyte Chain Length and Concentration

(2017) Morten Stornes et al.   MACROMOLECULES

Photosensitive microgels containing azobenzene surfactants of different charges

(2017) Selina Schimka et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Local pH and effective pKA of weak polyelectrolytes – insights from computer simulations

(2017) Lucie Nová et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Competition between excluded-volume and electrostatic interactions for nanogel swelling: effects of the counterion valence and nanogel charge

(2017) Irene Adroher-Benítez et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Phase behavior of aqueous polyacrylic acid solutions using atomistic molecular dynamics simulations of model oligomers

(2017) Ratna S. Katiyar et al.   POLYMER

A self-consistent mean-field model for polyelectrolyte gels

(2017) Oleg Rud et al.   Soft Matter

Polymer Conformations in Ionic Microgels in the Presence of Salt: Theoretical and Mesoscale Simulation Results

(2017) Hideki Kobayashi et al.   Polymers

Defined pH-sensitive nanogels as gene delivery platform for siRNA mediated in vitro gene silencing

(2017) Mathias Dimde et al.   Biomaterials Science

Bienzymatic Sequential Reaction on Microgel Particles and Their Cofactor Dependent Applications

(2016) Nidhi C. Dubey et al.   BIOMACROMOLECULES

Microgel stabilized emulsions: Breaking on demand

(2016) Susanne Wiese et al.   COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS

Electrochemical impedance spectroscopy fingerprints the ion selectivity of microgel functionalized ion-exchange membranes

(2016) F. Roghmans et al.   ELECTROCHEMISTRY COMMUNICATIONS

Influence of network topology on the swelling of polyelectrolyte nanogels

(2016) L. G. Rizzi et al.   JOURNAL OF CHEMICAL PHYSICS

Optimal Displacement Parameters in Monte Carlo Simulations

(2016) Pascal Hebbeker et al.   Journal of Chemical Theory and Computation

Reversible Size Modulation of Aqueous Microgels via Orthogonal or Combined Application of Thermo- and Phototriggers

(2016) Dazril I. Phua et al.   LANGMUIR

Polyelectrolyte Gel Swelling and Conductivity vs Counterion Type, Cross-Linking Density, and Solvent Polarity

(2016) Artem M. Rumyantsev et al.   MACROMOLECULES

Could multiresponsive hollow shell–shell nanocontainers offer an improved strategy for drug delivery?

(2016) Walter Richtering et al.   Nanomedicine

Swelling of ionic microgel particles in the presence of excluded-volume interactions: a density functional approach

(2016) Arturo Moncho-Jordá et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Charge-controlled nano-structuring in partially collapsed star-shaped macromolecules

(2016) Filip Uhlík et al.   Soft Matter

Universal conformational properties of polymers in ionic nanogels

(2016) Hideki Kobayashi et al.   Scientific Reports

Microgel Size Modulation by Electrochemical Switching

(2015) Olga Mergel et al.   CHEMISTRY OF MATERIALS

MOLSIM: A modular molecular simulation software

(2015) Reščič Jurij et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Engineering Systems with Spatially Separated Enzymes via Dual-Stimuli-Sensitive Properties of Microgels

(2015) Larisa V. Sigolaeva et al.   LANGMUIR

Electrostatic Interactions and Osmotic Pressure of Counterions Control the pH-Dependent Swelling and Collapse of Polyampholyte Microgels with Random Distribution of Ionizable Groups

(2015) Ricarda Schroeder et al.   MACROMOLECULES

Modeling of Polyelectrolyte Gels in Equilibrium with Salt Solutions

(2015) Peter Košovan et al.   MACROMOLECULES

Strong anionic polyelectrolyte microgels

(2015) Rahul Tiwari et al.   Polymer Chemistry

Responsive Microgels at Surfaces and Interfaces

(2015) Stefan Wellert et al.   ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS

Temperature-Modulated Water Filtration Using Microgel-Functionalized Hollow-Fiber Membranes

(2014) Daniel Menne et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

The Compressibility of pH-Sensitive Microgels at the Oil-Water Interface: Higher Charge Leads to Less Repulsion

(2014) Karen Geisel et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Dual-Stimuli-Sensitive Microgels as a Tool for Stimulated Spongelike Adsorption of Biomaterials for Biosensor Applications

(2014) Larisa V. Sigolaeva et al.   BIOMACROMOLECULES

Non-monotonic swelling of surface grafted hydrogels induced by pH and/or salt concentration

(2014) Gabriel S. Longo et al.   JOURNAL OF CHEMICAL PHYSICS

Temperature-sensitive nanogels in the presence of salt: Explicit coarse-grained simulations

(2014) Manuel Quesada-Pérez et al.   JOURNAL OF CHEMICAL PHYSICS

Impact of Electrostatics on the Adsorption of Microgels at the Interface of Pickering Emulsions

(2014) Pascal Massé et al.   LANGMUIR

Modeling of Ionization and Conformations of Starlike Weak Polyelectrolytes

(2014) Filip Uhlík et al.   MACROMOLECULES

Quaternized microgels as soft templates for polyelectrolyte layer-by-layer assemblies

(2014) Arjan P.H. Gelissen et al.   POLYMER

Structure of Microgels with Debye–Hückel Interactions

(2014) Hideki Kobayashi et al.   Polymers

Immobilization of Water-Soluble HRP within Poly-N-isopropylacrylamide Microgel Particles for Use in Organic Media

(2013) Kornelia Gawlitza et al.   LANGMUIR

Collapse-to-Swelling Transitions in pH- and Thermoresponsive Microgels in Aqueous Dispersions: The Thermodynamic Theory

(2013) Alexey A. Polotsky et al.   MACROMOLECULES

Monte Carlo simulation of thermo-responsive charged nanogels in salt-free solutions

(2013) Manuel Quesada-Pérez et al.   Soft Matter

Conformational changes upon high pressure induced hydration of poly(N-isopropylacrylamide) microgels

(2013) Sebastian Grobelny et al.   Soft Matter

Explicit Ions Condensation around Strongly Charged Polyelectrolytes and Spherical Macroions: The Influence of Salt Concentration and Chain Linear Charge Density. Monte Carlo Simulations

(2012) Fabrice Carnal et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Preparation and Characterization of Low Dispersity Anionic Multiresponsive Core–Shell Polymer Nanoparticles

(2012) J. P. Pinheiro et al.   LANGMUIR

Cononsolvency Revisited: Solvent Entrapment by N-Isopropylacrylamide and N,N-Diethylacrylamide Microgels in Different Water/Methanol Mixtures

(2012) Christian H. Hofmann et al.   MACROMOLECULES

Effect of the Counterion Valence on the Behavior of Thermo-Sensitive Gels and Microgels: A Monte Carlo Simulation Study

(2012) Manuel Quesada-Pérez et al.   MACROMOLECULES

Immobilization of lipase B within micron-sized poly-N-isopropylacrylamide hydrogel particles by solvent exchange

(2012) Kornelia Gawlitza et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Chain stiffness, salt valency, and concentration influences on titration curves of polyelectrolytes: Monte Carlo simulations

(2011) Fabrice Carnal et al.   JOURNAL OF CHEMICAL PHYSICS

Adsorption of Weak Polyelectrolytes on Charged Nanoparticles. Impact of Salt Valency, pH, and Nanoparticle Charge Density. Monte Carlo Simulations

(2011) Fabrice Carnal et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Study of volume phase transitions in polymeric nanogels by theoretically informed coarse-grained simulations

(2011) Prateek K. Jha et al.   Soft Matter

Molecular theory of weak polyelectrolyte thin films

(2011) Gabriel S. Longo et al.   Soft Matter

Influence of Explicit Ions on Titration Curves and Conformations of Flexible Polyelectrolytes: A Monte Carlo Study

(2010) Fabrice Carnal et al.   MACROMOLECULES

Molecular Theory of Weak Polyelectrolyte Gels: The Role of pH and Salt Concentration

(2010) Gabriel S. Longo et al.   MACROMOLECULES

Microgels containing methacrylic acid: effects of composition on pH-triggered swelling and gelation behaviours

(2009) Sarah Lally et al.   COLLOID AND POLYMER SCIENCE

Comparison of a hydrogel model to the Poisson–Boltzmann cell model

(2009) Gil C. Claudio et al.   JOURNAL OF CHEMICAL PHYSICS

Swelling and collapse of polyelectrolyte gels in equilibrium with monovalent and divalent electrolyte solutions

(2009) De-Wei Yin et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular simulation of the swelling of polyelectrolyte gels by monovalent and divalent counterions

(2008) De-Wei Yin et al.   JOURNAL OF CHEMICAL PHYSICS

Loading quantum dots into thermo-responsive microgels by reversible transfer from organic solvents to water

(2008) Lei Shen et al.   JOURNAL OF MATERIALS CHEMISTRY

Review on Hydrogel-based pH Sensors and Microsensors

(2008) Andreas Richter et al.   SENSORS